BMRB: 30809

Solution structure of the PHD1 domain of histone demethylase KDM5A in complex with a histone H3(1-10) peptide

Authors

Longbotham, E.J., Kelly, M.J.S., Fujimori, D.G.

Assembly

Lysine-specific demethylase 5A (E.C.1.14.11.67), Histone H3.1

Entity

1. Lysine-specific demethylase 5A (E.C.1.14.11.67), Histone H3.1, entity 1 (polymer, Thiol state: all other bound), 59 monomers, 6599.504 Da Detail

GSVNFVDLYV CMFCGRGNNE DKLLLCDGCD DSYHTFCLIP PLPDVPKGDW RCPKCVAEE

2. Lysine-specific demethylase 5A (E.C.1.14.11.67), Histone H3.1, entity 2 (polymer, Thiol state: not present), 10 monomers, 1146.300 Da Detail

ARTKQTARKS

3. Lysine-specific demethylase 5A (E.C.1.14.11.67), Histone H3.1, entity ZN (non-polymer), 65.409 × 2 Da

Total weight

7876.6216 Da

Max. entity weight

6599.504 Da

Entity Connection

disulfide 8 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS11:SG	3:ZN1:ZN
2	disulfide	sing	1:CYS14:SG	3:ZN1:ZN
3	disulfide	sing	1:CYS26:SG	3:ZN1:ZN
4	disulfide	sing	1:CYS29:SG	3:ZN1:ZN
5	disulfide	sing	1:HIS34:ND1	3:ZN1:ZN
6	disulfide	sing	1:CYS37:SG	3:ZN1:ZN
7	disulfide	sing	1:CYS52:SG	3:ZN1:ZN
8	disulfide	sing	1:CYS55:SG	3:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 450, ¹³C: 201, ¹⁵N: 53 assignments Detail

Download

• NMR-STAR v3.1 (partial)
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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	SER	HA	H	4.548	0.012	1
2	1	2	SER	HB2	H	3.870	0.007	2
3	1	2	SER	HB3	H	3.870	0.007	2
4	1	2	SER	CA	C	58.400	0.055	1
5	1	2	SER	CB	C	64.024	0.066	1
6	1	3	VAL	H	H	8.256	0.001	1
7	1	3	VAL	HA	H	4.118	0.001	1
8	1	3	VAL	HB	H	2.002	0.011	1
9	1	3	VAL	HG11	H	0.869	0.005	2
10	1	3	VAL	HG12	H	0.869	0.005	2
11	1	3	VAL	HG13	H	0.869	0.005	2
12	1	3	VAL	HG21	H	0.818	0.007	2
13	1	3	VAL	HG22	H	0.818	0.007	2
14	1	3	VAL	HG23	H	0.818	0.007	2
15	1	3	VAL	CA	C	62.325	0.046	1
16	1	3	VAL	CB	C	32.851	0.028	1
17	1	3	VAL	CG1	C	20.366	0.026	2
18	1	3	VAL	CG2	C	21.076	0.061	2
19	1	3	VAL	N	N	121.487	0.004	1
20	1	4	ASN	H	H	8.540	0.004	1
21	1	4	ASN	HA	H	4.687	0.004	1
22	1	4	ASN	HB2	H	2.683	0.008	2
23	1	4	ASN	HB3	H	2.761	0.003	2
24	1	4	ASN	CA	C	53.006	0.013	1
25	1	4	ASN	CB	C	39.119	0.080	1
26	1	4	ASN	N	N	122.866	0.054	1
27	1	5	PHE	H	H	8.168	0.002	1
28	1	5	PHE	HA	H	4.459	0.002	1
29	1	5	PHE	HB2	H	3.039	0.010	2
30	1	5	PHE	HB3	H	3.123	0.004	2
31	1	5	PHE	HD1	H	7.220	0.008	1
32	1	5	PHE	HD2	H	7.220	0.008	1
33	1	5	PHE	HE1	H	7.377	0.009	1
34	1	5	PHE	HE2	H	7.377	0.009	1
35	1	5	PHE	HZ	H	7.323	0.005	1
36	1	5	PHE	CA	C	58.845	0.071	1
37	1	5	PHE	CB	C	39.023	0.058	1
38	1	5	PHE	CD1	C	131.855	0.012	1
39	1	5	PHE	CD2	C	131.855	0.012	1
40	1	5	PHE	CE1	C	132.000	0.060	1
41	1	5	PHE	CE2	C	132.000	0.060	1
42	1	5	PHE	CZ	C	130.225	0.027	1
43	1	5	PHE	N	N	121.439	0.014	1
44	1	6	VAL	H	H	7.911	0.011	1
45	1	6	VAL	HA	H	3.626	0.007	1
46	1	6	VAL	HB	H	1.960	0.006	1
47	1	6	VAL	HG11	H	0.870	0.005	2
48	1	6	VAL	HG12	H	0.870	0.005	2
49	1	6	VAL	HG13	H	0.870	0.005	2
50	1	6	VAL	HG21	H	0.870	0.006	2
51	1	6	VAL	HG22	H	0.870	0.006	2
52	1	6	VAL	HG23	H	0.870	0.006	2
53	1	6	VAL	CA	C	63.828	0.063	1
54	1	6	VAL	CB	C	32.073	0.036	1
55	1	6	VAL	CG1	C	21.982	0.065	2
56	1	6	VAL	CG2	C	21.982	0.065	2
57	1	6	VAL	N	N	121.206	0.042	1
58	1	7	ASP	H	H	7.789	0.011	1
59	1	7	ASP	HA	H	4.324	0.007	1
60	1	7	ASP	HB2	H	2.551	0.006	2
61	1	7	ASP	HB3	H	2.659	0.008	2
62	1	7	ASP	CA	C	55.901	0.066	1
63	1	7	ASP	CB	C	41.010	0.076	1
64	1	7	ASP	N	N	118.775	0.028	1
65	1	8	LEU	H	H	7.536	0.010	1
66	1	8	LEU	HA	H	4.114	0.004	1
67	1	8	LEU	HB2	H	1.528	0.009	2
68	1	8	LEU	HB3	H	1.421	0.011	2
69	1	8	LEU	HG	H	1.487	0.014	1
70	1	8	LEU	HD11	H	0.737	0.004	2
71	1	8	LEU	HD12	H	0.737	0.004	2
72	1	8	LEU	HD13	H	0.737	0.004	2
73	1	8	LEU	HD21	H	0.843	0.007	2
74	1	8	LEU	HD22	H	0.843	0.007	2
75	1	8	LEU	HD23	H	0.843	0.007	2
76	1	8	LEU	CA	C	55.064	0.014	1
77	1	8	LEU	CB	C	41.753	0.022	1
78	1	8	LEU	CG	C	26.825	0.041	1
79	1	8	LEU	CD1	C	22.609	0.040	2
80	1	8	LEU	CD2	C	25.092	0.055	2
81	1	8	LEU	N	N	117.859	0.049	1
82	1	9	TYR	H	H	7.466	0.006	1
83	1	9	TYR	HA	H	4.550	0.006	1
84	1	9	TYR	HB2	H	2.695	0.006	2
85	1	9	TYR	HB3	H	2.814	0.003	2
86	1	9	TYR	HD1	H	7.195	0.012	1
87	1	9	TYR	HD2	H	7.195	0.012	1
88	1	9	TYR	HE1	H	6.846	0.006	1
89	1	9	TYR	HE2	H	6.846	0.006	1
90	1	9	TYR	CA	C	58.468	0.035	1
91	1	9	TYR	CB	C	37.539	0.060	1
92	1	9	TYR	CD1	C	132.797	0.065	1
93	1	9	TYR	CD2	C	132.797	0.065	1
94	1	9	TYR	CE1	C	118.628	0.063	1
95	1	9	TYR	CE2	C	118.628	0.063	1
96	1	9	TYR	N	N	118.472	0.054	1
97	1	10	VAL	H	H	7.804	0.005	1
98	1	10	VAL	HA	H	4.014	0.003	1
99	1	10	VAL	HB	H	1.491	0.014	1
100	1	10	VAL	HG11	H	0.649	0.012	2
101	1	10	VAL	HG12	H	0.649	0.012	2
102	1	10	VAL	HG13	H	0.649	0.012	2
103	1	10	VAL	HG21	H	0.651	0.010	2
104	1	10	VAL	HG22	H	0.651	0.010	2
105	1	10	VAL	HG23	H	0.651	0.010	2
106	1	10	VAL	CA	C	59.520	0.062	1
107	1	10	VAL	CB	C	35.713	0.045	1
108	1	10	VAL	CG1	C	19.083	0.007	2
109	1	10	VAL	CG2	C	21.354	0.012	2
110	1	10	VAL	N	N	118.181	0.032	1
111	1	11	CYS	H	H	7.544	0.005	1
112	1	11	CYS	HA	H	3.937	0.006	1
113	1	11	CYS	HB2	H	2.141	0.006	2
114	1	11	CYS	HB3	H	3.584	0.004	2
115	1	11	CYS	CA	C	58.684	0.074	1
116	1	11	CYS	CB	C	31.995	0.071	1
117	1	11	CYS	N	N	124.856	0.057	1
118	1	12	MET	H	H	8.602	0.004	1
119	1	12	MET	HA	H	4.210	0.009	1
120	1	12	MET	HB2	H	2.367	0.005	2
121	1	12	MET	HB3	H	2.634	0.003	2
122	1	12	MET	HG2	H	1.711	0.007	2
123	1	12	MET	HG3	H	1.192	0.002	2
124	1	12	MET	HE1	H	2.090	0.009	1
125	1	12	MET	HE2	H	2.090	0.009	1
126	1	12	MET	HE3	H	2.090	0.009	1
127	1	12	MET	CA	C	56.308	0.054	1
128	1	12	MET	CB	C	32.681	0.061	1
129	1	12	MET	CG	C	31.399	0.056	1
130	1	12	MET	CE	C	16.919	0.059	1
131	1	12	MET	N	N	127.866	0.029	1
132	1	13	PHE	H	H	8.811	0.006	1
133	1	13	PHE	HA	H	5.079	0.004	1
134	1	13	PHE	HB2	H	3.201	0.011	2
135	1	13	PHE	HB3	H	3.430	0.003	2
136	1	13	PHE	HD1	H	7.556	0.009	1
137	1	13	PHE	HD2	H	7.556	0.009	1
138	1	13	PHE	HE1	H	7.552	0.005	1
139	1	13	PHE	HE2	H	7.552	0.005	1
140	1	13	PHE	HZ	H	7.468	0.002	1
141	1	13	PHE	CA	C	58.492	0.034	1
142	1	13	PHE	CB	C	40.651	0.051	1
143	1	13	PHE	CD1	C	131.511	0.051	1
144	1	13	PHE	CD2	C	131.511	0.051	1
145	1	13	PHE	CE1	C	131.024	0.015	1
146	1	13	PHE	CE2	C	131.024	0.015	1
147	1	13	PHE	CZ	C	130.358	0.009	1
148	1	13	PHE	N	N	119.308	0.056	1
149	1	14	CYS	H	H	8.486	0.003	1
150	1	14	CYS	HA	H	4.925	0.005	1
151	1	14	CYS	HB2	H	3.415	0.009	2
152	1	14	CYS	HB3	H	3.412	0.011	2
153	1	14	CYS	CA	C	59.276	0.075	1
154	1	14	CYS	CB	C	31.514	0.055	1
155	1	14	CYS	N	N	117.762	0.037	1
156	1	15	GLY	H	H	7.992	0.006	1
157	1	15	GLY	HA2	H	3.854	0.007	2
158	1	15	GLY	HA3	H	4.097	0.003	2
159	1	15	GLY	CA	C	46.471	0.053	1
160	1	15	GLY	N	N	111.713	0.031	1
161	1	16	ARG	H	H	8.534	0.006	1
162	1	16	ARG	HA	H	4.812	0.008	1
163	1	16	ARG	HB2	H	2.274	0.004	2
164	1	16	ARG	HB3	H	2.140	0.005	2
165	1	16	ARG	HG2	H	1.685	0.002	2
166	1	16	ARG	HG3	H	1.876	0.003	2
167	1	16	ARG	HD2	H	3.286	0.003	2
168	1	16	ARG	HD3	H	3.286	0.003	2
169	1	16	ARG	CA	C	55.339	0.009	1
170	1	16	ARG	CB	C	32.881	0.048	1
171	1	16	ARG	CG	C	27.582	0.077	1
172	1	16	ARG	CD	C	43.248	0.060	1
173	1	16	ARG	N	N	118.959	0.021	1
174	1	17	GLY	H	H	9.125	0.004	1
175	1	17	GLY	HA2	H	3.749	0.006	2
176	1	17	GLY	HA3	H	4.645	0.001	2
177	1	17	GLY	CA	C	44.641	0.055	1
178	1	17	GLY	N	N	109.861	0.017	1
179	1	18	ASN	H	H	7.658	0.005	1
180	1	18	ASN	HA	H	4.901	0.007	1
181	1	18	ASN	HB2	H	3.037	0.006	2
182	1	18	ASN	HB3	H	3.319	0.004	2
183	1	18	ASN	CA	C	51.869	0.010	1
184	1	18	ASN	CB	C	37.192	0.048	1
185	1	18	ASN	N	N	116.716	0.032	1
186	1	19	ASN	H	H	9.206	0.012	1
187	1	19	ASN	HA	H	4.447	0.002	1
188	1	19	ASN	HB2	H	2.630	0.006	2
189	1	19	ASN	HB3	H	2.962	0.009	2
190	1	19	ASN	CA	C	55.570	0.051	1
191	1	19	ASN	CB	C	38.629	0.075	1
192	1	19	ASN	N	N	117.254	0.024	1
193	1	20	GLU	H	H	9.340	0.009	1
194	1	20	GLU	HA	H	3.733	0.002	1
195	1	20	GLU	HB2	H	2.009	0.003	2
196	1	20	GLU	HB3	H	2.009	0.003	2
197	1	20	GLU	HG2	H	2.489	0.004	2
198	1	20	GLU	HG3	H	2.623	0.003	2
199	1	20	GLU	CA	C	60.953	0.070	1
200	1	20	GLU	CB	C	29.342	0.039	1
201	1	20	GLU	CG	C	36.239	0.048	1
202	1	20	GLU	N	N	115.519	0.056	1
203	1	21	ASP	H	H	9.338	0.009	1
204	1	21	ASP	HA	H	4.301	0.004	1
205	1	21	ASP	HB2	H	2.705	0.007	2
206	1	21	ASP	HB3	H	2.705	0.007	2
207	1	21	ASP	CA	C	54.665	0.073	1
208	1	21	ASP	CB	C	38.906	0.063	1
209	1	21	ASP	N	N	115.292	0.048	1
210	1	22	LYS	H	H	7.931	0.008	1
211	1	22	LYS	HA	H	4.412	0.002	1
212	1	22	LYS	HB2	H	1.594	0.010	2
213	1	22	LYS	HB3	H	2.985	0.006	2
214	1	22	LYS	HG2	H	1.355	0.006	2
215	1	22	LYS	HG3	H	1.540	0.015	2
216	1	22	LYS	HD2	H	1.680	0.012	2
217	1	22	LYS	HD3	H	1.814	0.009	2
218	1	22	LYS	HE2	H	3.050	0.007	1
219	1	22	LYS	HE3	H	3.050	0.007	1
220	1	22	LYS	CA	C	54.403	0.070	1
221	1	22	LYS	CB	C	33.787	0.056	1
222	1	22	LYS	CG	C	25.211	0.077	1
223	1	22	LYS	CD	C	28.950	0.061	1
224	1	22	LYS	CE	C	42.483	0.079	1
225	1	22	LYS	N	N	117.786	0.049	1
226	1	23	LEU	H	H	7.172	0.007	1
227	1	23	LEU	HA	H	4.116	0.009	1
228	1	23	LEU	HB2	H	1.062	0.006	2
229	1	23	LEU	HB3	H	2.013	0.002	2
230	1	23	LEU	HG	H	1.071	0.007	1
231	1	23	LEU	HD11	H	-0.020	0.006	2
232	1	23	LEU	HD12	H	-0.020	0.006	2
233	1	23	LEU	HD13	H	-0.020	0.006	2
234	1	23	LEU	HD21	H	0.587	0.005	2
235	1	23	LEU	HD22	H	0.587	0.005	2
236	1	23	LEU	HD23	H	0.587	0.005	2
237	1	23	LEU	CA	C	54.174	0.062	1
238	1	23	LEU	CB	C	41.279	0.047	1
239	1	23	LEU	CG	C	26.548	0.079	1
240	1	23	LEU	CD1	C	22.817	0.069	2
241	1	23	LEU	CD2	C	26.632	0.020	2
242	1	23	LEU	N	N	123.994	0.041	1
243	1	24	LEU	H	H	8.127	0.005	1
244	1	24	LEU	HA	H	4.169	0.007	1
245	1	24	LEU	HB2	H	1.232	0.011	2
246	1	24	LEU	HB3	H	0.467	0.005	2
247	1	24	LEU	HG	H	1.280	0.008	1
248	1	24	LEU	HD11	H	-0.636	0.007	2
249	1	24	LEU	HD12	H	-0.636	0.007	2
250	1	24	LEU	HD13	H	-0.636	0.007	2
251	1	24	LEU	HD21	H	0.334	0.006	2
252	1	24	LEU	HD22	H	0.334	0.006	2
253	1	24	LEU	HD23	H	0.334	0.006	2
254	1	24	LEU	CA	C	54.619	0.029	1
255	1	24	LEU	CB	C	43.316	0.076	1
256	1	24	LEU	CG	C	25.545	0.058	1
257	1	24	LEU	CD1	C	24.753	0.066	2
258	1	24	LEU	CD2	C	24.825	0.074	2
259	1	24	LEU	N	N	125.793	0.048	1
260	1	25	LEU	H	H	7.732	0.004	1
261	1	25	LEU	HA	H	4.573	0.006	1
262	1	25	LEU	HB2	H	1.197	0.006	2
263	1	25	LEU	HB3	H	1.377	0.003	2
264	1	25	LEU	HG	H	1.058	0.004	1
265	1	25	LEU	HD11	H	-0.023	0.005	2
266	1	25	LEU	HD12	H	-0.023	0.005	2
267	1	25	LEU	HD13	H	-0.023	0.005	2
268	1	25	LEU	HD21	H	0.341	0.004	2
269	1	25	LEU	HD22	H	0.341	0.004	2
270	1	25	LEU	HD23	H	0.341	0.004	2
271	1	25	LEU	CA	C	52.764	0.010	1
272	1	25	LEU	CB	C	41.295	0.033	1
273	1	25	LEU	CG	C	26.987	0.051	1
274	1	25	LEU	CD1	C	22.417	0.033	2
275	1	25	LEU	CD2	C	25.699	0.043	2
276	1	25	LEU	N	N	118.564	0.037	1
277	1	26	CYS	H	H	8.973	0.005	1
278	1	26	CYS	HA	H	4.595	0.008	1
279	1	26	CYS	HB2	H	2.931	0.014	2
280	1	26	CYS	HB3	H	3.490	0.006	2
281	1	26	CYS	CA	C	60.964	0.008	1
282	1	26	CYS	CB	C	30.802	0.073	1
283	1	26	CYS	N	N	125.362	0.058	1
284	1	27	ASP	H	H	9.466	0.004	1
285	1	27	ASP	HA	H	4.757	0.010	1
286	1	27	ASP	HB2	H	2.851	0.005	2
287	1	27	ASP	HB3	H	2.493	0.006	2
288	1	27	ASP	CA	C	57.947	0.064	1
289	1	27	ASP	CB	C	41.416	0.059	1
290	1	27	ASP	N	N	129.518	0.037	1
291	1	28	GLY	H	H	10.302	0.003	1
292	1	28	GLY	HA2	H	4.108	0.008	2
293	1	28	GLY	HA3	H	4.255	0.007	2
294	1	28	GLY	CA	C	46.098	0.078	1
295	1	28	GLY	N	N	114.914	0.028	1
296	1	29	CYS	H	H	8.296	0.008	1
297	1	29	CYS	HA	H	4.909	0.003	1
298	1	29	CYS	HB2	H	2.467	0.003	2
299	1	29	CYS	HB3	H	3.159	0.004	2
300	1	29	CYS	CA	C	59.156	0.045	1
301	1	29	CYS	CB	C	33.363	0.027	1
302	1	29	CYS	N	N	122.142	0.041	1
303	1	30	ASP	H	H	8.302	0.006	1
304	1	30	ASP	HA	H	4.986	0.003	1
305	1	30	ASP	HB2	H	2.679	0.013	2
306	1	30	ASP	HB3	H	3.175	0.008	2
307	1	30	ASP	CA	C	56.683	0.022	1
308	1	30	ASP	CB	C	42.427	0.035	1
309	1	30	ASP	N	N	121.778	0.047	1
310	1	31	ASP	H	H	9.057	0.006	1
311	1	31	ASP	HA	H	4.829	0.005	1
312	1	31	ASP	HB2	H	3.091	0.011	2
313	1	31	ASP	HB3	H	2.725	0.005	2
314	1	31	ASP	CA	C	56.129	0.008	1
315	1	31	ASP	CB	C	42.147	0.074	1
316	1	31	ASP	N	N	122.539	0.016	1
317	1	32	SER	H	H	7.958	0.006	1
318	1	32	SER	HA	H	6.009	0.005	1
319	1	32	SER	HB2	H	3.379	0.007	2
320	1	32	SER	HB3	H	3.379	0.006	2
321	1	32	SER	CA	C	56.241	0.065	1
322	1	32	SER	CB	C	66.723	0.074	1
323	1	32	SER	N	N	112.624	0.029	1
324	1	33	TYR	H	H	8.643	0.009	1
325	1	33	TYR	HA	H	5.419	0.003	1
326	1	33	TYR	HB2	H	2.664	0.008	2
327	1	33	TYR	HB3	H	2.666	0.010	2
328	1	33	TYR	HD1	H	6.943	0.008	1
329	1	33	TYR	HD2	H	6.943	0.008	1
330	1	33	TYR	HE1	H	6.546	0.008	1
331	1	33	TYR	HE2	H	6.546	0.008	1
332	1	33	TYR	CA	C	56.559	0.073	1
333	1	33	TYR	CB	C	44.490	0.040	1
334	1	33	TYR	CD1	C	133.538	0.069	1
335	1	33	TYR	CD2	C	133.538	0.069	1
336	1	33	TYR	CE1	C	117.776	0.045	1
337	1	33	TYR	CE2	C	117.776	0.045	1
338	1	33	TYR	N	N	119.774	0.051	1
339	1	34	HIS	H	H	8.966	0.006	1
340	1	34	HIS	HA	H	5.197	0.004	1
341	1	34	HIS	HB2	H	3.161	0.012	2
342	1	34	HIS	HB3	H	1.294	0.006	2
343	1	34	HIS	HD2	H	6.671	0.005	1
344	1	34	HIS	HE1	H	7.541	0.006	1
345	1	34	HIS	CA	C	58.295	0.074	1
346	1	34	HIS	CB	C	30.238	0.075	1
347	1	34	HIS	CD2	C	117.961	0.076	1
348	1	34	HIS	CE1	C	139.156	0.066	1
349	1	34	HIS	N	N	122.137	0.025	1
350	1	35	THR	H	H	8.738	0.006	1
351	1	35	THR	HA	H	3.624	0.004	1
352	1	35	THR	HB	H	4.409	0.011	1
353	1	35	THR	HG21	H	1.074	0.007	1
354	1	35	THR	HG22	H	1.074	0.007	1
355	1	35	THR	HG23	H	1.074	0.007	1
356	1	35	THR	CA	C	64.941	0.055	1
357	1	35	THR	CB	C	65.836	0.010	1
358	1	35	THR	CG2	C	23.403	0.068	1
359	1	35	THR	N	N	112.898	0.023	1
360	1	36	PHE	H	H	6.553	0.009	1
361	1	36	PHE	HA	H	4.726	0.009	1
362	1	36	PHE	HB2	H	3.002	0.002	2
363	1	36	PHE	HB3	H	3.575	0.003	2
364	1	36	PHE	HD1	H	7.267	0.005	1
365	1	36	PHE	HD2	H	7.267	0.005	1
366	1	36	PHE	HE1	H	7.006	0.007	1
367	1	36	PHE	HE2	H	7.006	0.007	1
368	1	36	PHE	HZ	H	6.399	0.008	1
369	1	36	PHE	CA	C	56.232	0.033	1
370	1	36	PHE	CB	C	37.562	0.043	1
371	1	36	PHE	CD1	C	133.267	0.069	1
372	1	36	PHE	CD2	C	133.267	0.069	1
373	1	36	PHE	CE1	C	131.996	0.069	1
374	1	36	PHE	CE2	C	131.996	0.069	1
375	1	36	PHE	CZ	C	130.195	0.078	1
376	1	36	PHE	N	N	111.337	0.049	1
377	1	37	CYS	H	H	7.545	0.008	1
378	1	37	CYS	HA	H	4.432	0.005	1
379	1	37	CYS	HB2	H	2.908	0.008	2
380	1	37	CYS	HB3	H	3.500	0.005	2
381	1	37	CYS	CA	C	61.703	0.066	1
382	1	37	CYS	CB	C	31.538	0.065	1
383	1	37	CYS	N	N	123.486	0.037	1
384	1	38	LEU	H	H	6.528	0.009	1
385	1	38	LEU	HA	H	4.179	0.003	1
386	1	38	LEU	HB2	H	1.490	0.009	2
387	1	38	LEU	HB3	H	1.783	0.006	2
388	1	38	LEU	HG	H	1.881	0.010	1
389	1	38	LEU	HD11	H	0.925	0.010	2
390	1	38	LEU	HD12	H	0.925	0.010	2
391	1	38	LEU	HD13	H	0.925	0.010	2
392	1	38	LEU	HD21	H	0.796	0.006	2
393	1	38	LEU	HD22	H	0.796	0.006	2
394	1	38	LEU	HD23	H	0.796	0.006	2
395	1	38	LEU	CA	C	55.305	0.059	1
396	1	38	LEU	CB	C	44.440	0.034	1
397	1	38	LEU	CG	C	27.131	0.052	1
398	1	38	LEU	CD1	C	27.093	0.010	2
399	1	38	LEU	CD2	C	23.304	0.010	2
400	1	38	LEU	N	N	120.015	0.027	1
401	1	39	ILE	H	H	8.324	0.004	1
402	1	39	ILE	HA	H	4.270	0.002	1
403	1	39	ILE	HB	H	1.756	0.003	1
404	1	39	ILE	HG12	H	1.415	0.004	2
405	1	39	ILE	HG13	H	0.894	0.014	2
406	1	39	ILE	HG21	H	0.821	0.006	1
407	1	39	ILE	HG22	H	0.821	0.006	1
408	1	39	ILE	HG23	H	0.821	0.006	1
409	1	39	ILE	HD11	H	0.789	0.013	1
410	1	39	ILE	HD12	H	0.789	0.013	1
411	1	39	ILE	HD13	H	0.789	0.013	1
412	1	39	ILE	CA	C	57.889	0.035	1
413	1	39	ILE	CB	C	39.972	0.017	1
414	1	39	ILE	CG1	C	26.909	0.062	1
415	1	39	ILE	CG2	C	17.292	0.036	1
416	1	39	ILE	CD1	C	13.355	0.068	1
417	1	39	ILE	N	N	118.593	0.011	1
418	1	40	PRO	HA	H	5.046	0.006	1
419	1	40	PRO	HB2	H	2.075	0.006	2
420	1	40	PRO	HB3	H	2.456	0.005	2
421	1	40	PRO	HG2	H	1.913	0.006	2
422	1	40	PRO	HG3	H	1.972	0.008	2
423	1	40	PRO	HD2	H	3.527	0.004	2
424	1	40	PRO	HD3	H	3.687	0.006	2
425	1	40	PRO	CA	C	62.129	0.071	1
426	1	40	PRO	CB	C	33.138	0.049	1
427	1	40	PRO	CG	C	24.798	0.022	1
428	1	40	PRO	CD	C	50.036	0.036	1
429	1	41	PRO	HA	H	4.346	0.002	1
430	1	41	PRO	HB2	H	2.012	0.005	2
431	1	41	PRO	HB3	H	2.267	0.004	2
432	1	41	PRO	HG2	H	2.095	0.006	2
433	1	41	PRO	HG3	H	2.095	0.006	2
434	1	41	PRO	HD2	H	3.845	0.011	2
435	1	41	PRO	HD3	H	3.924	0.002	2
436	1	41	PRO	CA	C	63.963	0.033	1
437	1	41	PRO	CB	C	31.952	0.079	1
438	1	41	PRO	CG	C	26.937	0.078	1
439	1	41	PRO	CD	C	50.676	0.074	1
440	1	42	LEU	H	H	7.182	0.003	1
441	1	42	LEU	HA	H	4.851	0.002	1
442	1	42	LEU	HB2	H	1.381	0.002	2
443	1	42	LEU	HB3	H	1.604	0.005	2
444	1	42	LEU	HG	H	1.837	0.013	1
445	1	42	LEU	HD11	H	0.950	0.009	2
446	1	42	LEU	HD12	H	0.950	0.009	2
447	1	42	LEU	HD13	H	0.950	0.009	2
448	1	42	LEU	HD21	H	0.792	0.005	2
449	1	42	LEU	HD22	H	0.792	0.005	2
450	1	42	LEU	HD23	H	0.792	0.005	2
451	1	42	LEU	CA	C	51.537	0.031	1
452	1	42	LEU	CB	C	42.939	0.058	1
453	1	42	LEU	CG	C	27.033	0.074	1
454	1	42	LEU	CD1	C	22.727	0.055	2
455	1	42	LEU	CD2	C	26.107	0.039	2
456	1	42	LEU	N	N	113.734	0.007	1
457	1	43	PRO	HA	H	4.449	0.005	1
458	1	43	PRO	HB2	H	1.905	0.006	2
459	1	43	PRO	HB3	H	2.250	0.006	2
460	1	43	PRO	HG2	H	2.010	0.003	2
461	1	43	PRO	HG3	H	2.143	0.012	2
462	1	43	PRO	HD2	H	3.699	0.002	2
463	1	43	PRO	HD3	H	3.699	0.002	2
464	1	43	PRO	CA	C	62.879	0.079	1
465	1	43	PRO	CB	C	32.000	0.038	1
466	1	43	PRO	CG	C	27.325	0.068	1
467	1	43	PRO	CD	C	49.954	0.052	1
468	1	44	ASP	H	H	7.811	0.004	1
469	1	44	ASP	HA	H	4.667	0.003	1
470	1	44	ASP	HB2	H	2.565	0.005	2
471	1	44	ASP	HB3	H	2.565	0.005	2
472	1	44	ASP	CA	C	51.595	0.011	1
473	1	44	ASP	CB	C	43.410	0.051	1
474	1	44	ASP	N	N	121.548	0.008	1
475	1	45	VAL	H	H	9.041	0.008	1
476	1	45	VAL	HA	H	3.668	0.006	1
477	1	45	VAL	HB	H	1.940	0.011	1
478	1	45	VAL	HG11	H	1.012	0.013	2
479	1	45	VAL	HG12	H	1.012	0.013	2
480	1	45	VAL	HG13	H	1.012	0.013	2
481	1	45	VAL	HG21	H	0.800	0.008	2
482	1	45	VAL	HG22	H	0.800	0.008	2
483	1	45	VAL	HG23	H	0.800	0.008	2
484	1	45	VAL	CA	C	61.182	0.032	1
485	1	45	VAL	CB	C	32.662	0.073	1
486	1	45	VAL	CG1	C	22.427	0.038	2
487	1	45	VAL	CG2	C	20.508	0.066	2
488	1	45	VAL	N	N	123.210	0.026	1
489	1	46	PRO	HA	H	4.451	0.005	1
490	1	46	PRO	HB2	H	1.960	0.009	2
491	1	46	PRO	HB3	H	2.437	0.009	2
492	1	46	PRO	HG2	H	1.975	0.008	2
493	1	46	PRO	HG3	H	1.975	0.006	2
494	1	46	PRO	HD2	H	3.188	0.006	2
495	1	46	PRO	HD3	H	3.866	0.005	2
496	1	46	PRO	CA	C	62.941	0.041	1
497	1	46	PRO	CB	C	32.395	0.065	1
498	1	46	PRO	CG	C	27.544	0.057	1
499	1	46	PRO	CD	C	51.256	0.076	1
500	1	47	LYS	H	H	8.558	0.003	1
501	1	47	LYS	HA	H	4.222	0.006	1
502	1	47	LYS	HB2	H	1.826	0.004	2
503	1	47	LYS	HB3	H	1.826	0.006	2
504	1	47	LYS	HG2	H	1.500	0.008	2
505	1	47	LYS	HG3	H	1.565	0.009	2
506	1	47	LYS	HD2	H	1.706	0.009	2
507	1	47	LYS	HD3	H	1.706	0.009	2
508	1	47	LYS	HE2	H	3.034	0.004	2
509	1	47	LYS	HE3	H	3.033	0.004	2
510	1	47	LYS	CA	C	57.225	0.032	1
511	1	47	LYS	CB	C	32.930	0.013	1
512	1	47	LYS	CG	C	25.140	0.028	1
513	1	47	LYS	CD	C	28.980	0.051	1
514	1	47	LYS	CE	C	42.375	0.077	1
515	1	47	LYS	N	N	120.780	0.019	1
516	1	48	GLY	H	H	8.301	0.001	1
517	1	48	GLY	HA2	H	3.908	0.003	2
518	1	48	GLY	HA3	H	4.242	0.003	2
519	1	48	GLY	CA	C	44.092	0.066	1
520	1	48	GLY	N	N	108.573	0.007	1
521	1	49	ASP	H	H	8.228	0.003	1
522	1	49	ASP	HA	H	4.687	0.003	1
523	1	49	ASP	HB2	H	2.532	0.009	2
524	1	49	ASP	HB3	H	2.682	0.007	2
525	1	49	ASP	CA	C	54.868	0.014	1
526	1	49	ASP	CB	C	41.538	0.043	1
527	1	49	ASP	N	N	120.081	0.017	1
528	1	50	TRP	H	H	9.547	0.006	1
529	1	50	TRP	HA	H	4.579	0.009	1
530	1	50	TRP	HB2	H	2.886	0.011	2
531	1	50	TRP	HB3	H	3.415	0.006	2
532	1	50	TRP	HE1	H	11.964	0.001	1
533	1	50	TRP	HE3	H	7.332	0.005	1
534	1	50	TRP	HZ2	H	7.166	0.007	1
535	1	50	TRP	HZ3	H	6.770	0.004	1
536	1	50	TRP	HH2	H	6.768	0.006	1
537	1	50	TRP	CA	C	60.053	0.025	1
538	1	50	TRP	CB	C	31.532	0.065	1
539	1	50	TRP	CE3	C	121.713	0.059	1
540	1	50	TRP	CZ2	C	114.991	0.044	1
541	1	50	TRP	CZ3	C	119.663	0.023	1
542	1	50	TRP	CH2	C	121.934	0.074	1
543	1	50	TRP	N	N	124.041	0.022	1
544	1	50	TRP	NE1	N	141.18	0.021	1
545	1	51	ARG	H	H	6.622	0.008	1
546	1	51	ARG	HA	H	4.979	0.004	1
547	1	51	ARG	HB2	H	1.137	0.008	2
548	1	51	ARG	HB3	H	1.215	0.011	2
549	1	51	ARG	HG2	H	1.252	0.014	2
550	1	51	ARG	HG3	H	1.485	0.009	2
551	1	51	ARG	HD2	H	2.905	0.006	2
552	1	51	ARG	HD3	H	2.979	0.005	2
553	1	51	ARG	CA	C	52.506	0.050	1
554	1	51	ARG	CB	C	33.780	0.069	1
555	1	51	ARG	CG	C	28.074	0.074	1
556	1	51	ARG	CD	C	43.196	0.052	1
557	1	51	ARG	N	N	124.569	0.045	1
558	1	52	CYS	H	H	9.170	0.005	1
559	1	52	CYS	HA	H	3.813	0.007	1
560	1	52	CYS	HB2	H	3.236	0.014	2
561	1	52	CYS	HB3	H	2.444	0.004	2
562	1	52	CYS	CA	C	57.116	0.077	1
563	1	52	CYS	CB	C	29.747	0.072	1
564	1	52	CYS	N	N	125.764	0.028	1
565	1	53	PRO	HA	H	4.085	0.004	1
566	1	53	PRO	HB2	H	1.859	0.013	2
567	1	53	PRO	HB3	H	2.406	0.011	2
568	1	53	PRO	HG2	H	1.900	0.009	2
569	1	53	PRO	HG3	H	1.898	0.010	2
570	1	53	PRO	HD2	H	2.899	0.008	2
571	1	53	PRO	HD3	H	3.206	0.006	2
572	1	53	PRO	CA	C	65.404	0.068	1
573	1	53	PRO	CB	C	32.230	0.065	1
574	1	53	PRO	CG	C	28.088	0.022	1
575	1	53	PRO	CD	C	49.838	0.062	1
576	1	54	LYS	H	H	7.974	0.011	1
577	1	54	LYS	HA	H	4.161	0.002	1
578	1	54	LYS	HB2	H	1.915	0.012	2
579	1	54	LYS	HB3	H	1.917	0.008	2
580	1	54	LYS	HG2	H	1.363	0.005	2
581	1	54	LYS	HG3	H	1.576	0.004	2
582	1	54	LYS	HD2	H	1.744	0.004	2
583	1	54	LYS	HD3	H	1.809	0.007	2
584	1	54	LYS	HE2	H	3.058	0.004	2
585	1	54	LYS	HE3	H	3.059	0.004	2
586	1	54	LYS	CA	C	59.133	0.079	1
587	1	54	LYS	CB	C	33.043	0.027	1
588	1	54	LYS	CG	C	25.032	0.059	1
589	1	54	LYS	CD	C	29.234	0.049	1
590	1	54	LYS	CE	C	42.237	0.069	1
591	1	54	LYS	N	N	118.650	0.058	1
592	1	55	CYS	H	H	8.142	0.005	1
593	1	55	CYS	HA	H	3.924	0.003	1
594	1	55	CYS	HB2	H	2.723	0.006	2
595	1	55	CYS	HB3	H	2.805	0.005	2
596	1	55	CYS	CA	C	64.513	0.075	1
597	1	55	CYS	CB	C	29.336	0.079	1
598	1	55	CYS	N	N	122.899	0.029	1
599	1	56	VAL	H	H	7.982	0.011	1
600	1	56	VAL	HA	H	3.741	0.007	1
601	1	56	VAL	HB	H	1.903	0.006	1
602	1	56	VAL	HG11	H	0.766	0.005	2
603	1	56	VAL	HG12	H	0.766	0.005	2
604	1	56	VAL	HG13	H	0.766	0.005	2
605	1	56	VAL	HG21	H	0.765	0.003	2
606	1	56	VAL	HG22	H	0.765	0.003	2
607	1	56	VAL	HG23	H	0.765	0.003	2
608	1	56	VAL	CA	C	64.103	0.051	1
609	1	56	VAL	CB	C	31.929	0.068	1
610	1	56	VAL	CG1	C	21.508	0.071	2
611	1	56	VAL	CG2	C	21.508	0.071	2
612	1	56	VAL	N	N	117.826	0.035	1
613	1	57	ALA	H	H	7.438	0.007	1
614	1	57	ALA	HA	H	4.251	0.002	1
615	1	57	ALA	HB1	H	1.440	0.015	1
616	1	57	ALA	HB2	H	1.440	0.015	1
617	1	57	ALA	HB3	H	1.440	0.015	1
618	1	57	ALA	CA	C	52.967	0.073	1
619	1	57	ALA	CB	C	19.074	0.042	1
620	1	57	ALA	N	N	123.096	0.017	1
621	1	58	GLU	H	H	7.803	0.014	1
622	1	58	GLU	HA	H	4.255	0.004	1
623	1	58	GLU	HB2	H	1.928	0.009	2
624	1	58	GLU	HB3	H	2.105	0.006	2
625	1	58	GLU	HG2	H	2.239	0.010	2
626	1	58	GLU	HG3	H	2.346	0.009	2
627	1	58	GLU	CA	C	56.518	0.036	1
628	1	58	GLU	CB	C	30.400	0.069	1
629	1	58	GLU	CG	C	36.354	0.024	1
630	1	58	GLU	N	N	118.971	0.018	1
631	1	59	GLU	H	H	7.767	0.007	1
632	1	59	GLU	HA	H	4.056	0.002	1
633	1	59	GLU	HB2	H	1.908	0.010	2
634	1	59	GLU	HB3	H	2.014	0.003	2
635	1	59	GLU	HG2	H	2.224	0.005	2
636	1	59	GLU	HG3	H	2.225	0.006	2
637	1	59	GLU	CA	C	58.327	0.013	1
638	1	59	GLU	CB	C	31.099	0.072	1
639	1	59	GLU	CG	C	36.766	0.071	1
640	1	59	GLU	N	N	126.537	0.018	1
641	2	1	ALA	HA	H	4.289	0.002	1
642	2	1	ALA	HB1	H	1.524	0.002	1
643	2	1	ALA	HB2	H	1.524	0.002	1
644	2	1	ALA	HB3	H	1.524	0.002	1
645	2	2	ARG	HA	H	4.333	0.002	1
646	2	2	ARG	HB2	H	1.953	0.007	2
647	2	2	ARG	HB3	H	1.830	0.011	2
648	2	2	ARG	HG2	H	1.637	0.002	2
649	2	2	ARG	HG3	H	1.706	0.002	2
650	2	2	ARG	HD2	H	3.402	0.001	2
651	2	2	ARG	HD3	H	3.402	0.001	2
652	2	3	THR	H	H	7.755	0.005	1
653	2	3	THR	HA	H	5.421	0.003	1
654	2	3	THR	HB	H	4.523	0.005	1
655	2	3	THR	HG21	H	0.946	0.002	1
656	2	3	THR	HG22	H	0.946	0.002	1
657	2	3	THR	HG23	H	0.946	0.002	1
658	2	4	LYS	H	H	8.628	0.003	1
659	2	4	LYS	HA	H	3.720	0.004	1
660	2	4	LYS	HB2	H	1.601	0.006	2
661	2	4	LYS	HB3	H	2.036	0.004	2
662	2	4	LYS	HG2	H	1.525	0.009	2
663	2	4	LYS	HG3	H	1.364	0.005	2
664	2	4	LYS	HD2	H	1.451	0.001	2
665	2	4	LYS	HD3	H	1.451	0.003	2
666	2	5	GLN	H	H	7.232	0.005	1
667	2	5	GLN	HA	H	4.074	0.002	1
668	2	5	GLN	HB2	H	1.700	0.006	2
669	2	5	GLN	HB3	H	1.968	0.006	2
670	2	5	GLN	HG2	H	2.154	0.008	2
671	2	5	GLN	HG3	H	2.371	0.004	2
672	2	6	THR	H	H	7.938	0.005	1
673	2	6	THR	HA	H	4.155	0.003	1
674	2	6	THR	HB	H	4.452	0.002	1
675	2	6	THR	HG21	H	1.288	0.004	1
676	2	6	THR	HG22	H	1.288	0.004	1
677	2	6	THR	HG23	H	1.288	0.004	1
678	2	7	ALA	H	H	8.336	0.002	1
679	2	7	ALA	HA	H	4.292	0.001	1
680	2	7	ALA	HB1	H	1.451	0.003	1
681	2	7	ALA	HB2	H	1.451	0.003	1
682	2	7	ALA	HB3	H	1.451	0.003	1
683	2	8	ARG	H	H	7.511	0.002	1
684	2	8	ARG	HA	H	4.161	0.003	1
685	2	8	ARG	HB2	H	1.878	0.005	2
686	2	8	ARG	HB3	H	1.878	0.005	2
687	2	8	ARG	HG2	H	1.626	0.002	2
688	2	8	ARG	HG3	H	1.626	0.002	2
689	2	8	ARG	HD2	H	3.208	0.003	2
690	2	8	ARG	HD3	H	3.208	0.003	2
691	2	9	LYS	H	H	7.942	0.005	1
692	2	9	LYS	HA	H	4.394	0.002	1
693	2	9	LYS	HB2	H	1.810	0.003	2
694	2	9	LYS	HB3	H	1.948	0.007	2
695	2	9	LYS	HG2	H	1.458	0.014	2
696	2	9	LYS	HG3	H	1.503	0.004	2
697	2	9	LYS	HD2	H	1.691	0.005	2
698	2	9	LYS	HD3	H	1.691	0.005	2
699	2	9	LYS	HE2	H	3.003	0.002	2
700	2	9	LYS	HE3	H	3.003	0.002	2
701	2	10	SER	H	H	7.872	0.003	1
702	2	10	SER	HA	H	4.274	0.004	1
703	2	10	SER	HB2	H	3.871	0.002	2
704	2	10	SER	HB3	H	3.871	0.002	2

Release date

2020-11-29

Citation

Recognition of Histone H3 Methylation States by the PHD1 Domain of Histone Demethylase KDM5A
Longbotham, J.E., Kelly, M.J.S., Fujimori, D.G.
ACS Chem. Biol. (2021), 18, 1915-1925, PubMed 33621062 , DOI 10.1021/acschembio.0c00976 , Abstract

Related entities 1. Lysine-specific demethylase 5A (E.C.1.14.11.67), Histone H3.1, entity 1, : 1 : 1 : 6 : 206 entities Detail

Experiments performed 11 experiments Detail