BMRB: 34841

NMR structure of arthrofactin A in micellar DPC solution

Authors

Kovacs, B., Geudens, N., Martins, J.C.

Assembly

arthrofactin A

Entity

1. arthrofactin A (polymer, Thiol state: not present), 12 monomers, 1184.381 Da Detail

XXXXXXXLXI ID

Formula weight

1184.381 Da

Source organism

Pseudomonas sp. MIS38

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 91, ¹³C: 43 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	IG8	CA	C	43.4	0.00	1
2	1	1	IG8	CB	C	68.6	0.00	1
3	1	1	IG8	HA1	H	2.82	0.00	2
4	1	1	IG8	HA2	H	2.70	0.00	2
5	1	1	IG8	HB	H	4.16	0.00	1
6	1	2	DLE	H	H	9.26	0.00	1
7	1	2	DLE	CA	C	56.1	0.00	1
8	1	2	DLE	CB	C	39.1	0.00	1
9	1	2	DLE	CD1	C	22.0	0.00	2
10	1	2	DLE	CD2	C	22.2	0.00	2
11	1	2	DLE	CG	C	24.5	0.00	1
12	1	2	DLE	HA	H	3.98	0.00	1
13	1	2	DLE	HB2	H	1.79	0.00	2
14	1	2	DLE	HB3	H	1.75	0.00	2
15	1	2	DLE	HD11	H	1.05	0.00	2
16	1	2	DLE	HD12	H	1.05	0.00	2
17	1	2	DLE	HD13	H	1.05	0.00	2
18	1	2	DLE	HD21	H	1.00	0.00	2
19	1	2	DLE	HD22	H	1.00	0.00	2
20	1	2	DLE	HD23	H	1.00	0.00	2
21	1	2	DLE	HG	H	1.85	0.00	1
22	1	3	DAS	H	H	9.00	0.00	1
23	1	3	DAS	CA	C	53.6	0.00	1
24	1	3	DAS	CB	C	35.3	0.00	1
25	1	3	DAS	HA	H	4.37	0.00	1
26	1	3	DAS	HB2	H	2.86	0.00	2
27	1	3	DAS	HB3	H	2.80	0.00	2
28	1	4	2TL	H	H	7.63	0.00	1
29	1	4	2TL	CA	C	59.7	0.00	1
30	1	4	2TL	CB	C	69.4	0.00	1
31	1	4	2TL	CG2	C	17.3	0.00	1
32	1	4	2TL	HA	H	4.37	0.00	1
33	1	4	2TL	HB	H	5.68	0.00	1
34	1	4	2TL	HG21	H	1.38	0.00	1
35	1	4	2TL	HG22	H	1.38	0.00	1
36	1	4	2TL	HG23	H	1.38	0.00	1
37	1	5	DLE	H	H	8.37	0.00	1
38	1	5	DLE	CA	C	55.9	0.00	1
39	1	5	DLE	CB	C	39.5	0.00	1
40	1	5	DLE	CD1	C	20.4	0.00	2
41	1	5	DLE	CD2	C	20.1	0.00	2
42	1	5	DLE	CG	C	24.9	0.00	1
43	1	5	DLE	HA	H	4.09	0.00	1
44	1	5	DLE	HB2	H	1.88	0.00	2
45	1	5	DLE	HB3	H	1.77	0.00	2
46	1	5	DLE	HD11	H	0.98	0.00	2
47	1	5	DLE	HD12	H	0.98	0.00	2
48	1	5	DLE	HD13	H	0.98	0.00	2
49	1	5	DLE	HD21	H	0.93	0.00	2
50	1	5	DLE	HD22	H	0.93	0.00	2
51	1	5	DLE	HD23	H	0.93	0.00	2
52	1	5	DLE	HG	H	1.77	0.00	4
53	1	6	DLE	H	H	8.28	0.00	1
54	1	6	DLE	CA	C	53.6	0.00	1
55	1	6	DLE	CB	C	38.6	0.00	1
56	1	6	DLE	CD1	C	22.9	0.00	2
57	1	6	DLE	CD2	C	22.4	0.00	2
58	1	6	DLE	CG	C	24.6	0.00	1
59	1	6	DLE	HA	H	4.12	0.00	1
60	1	6	DLE	HB2	H	1.88	0.00	2
61	1	6	DLE	HB3	H	1.78	0.00	2
62	1	6	DLE	HD11	H	0.98	0.00	2
63	1	6	DLE	HD12	H	0.98	0.00	2
64	1	6	DLE	HD13	H	0.98	0.00	2
65	1	6	DLE	HD21	H	0.93	0.00	2
66	1	6	DLE	HD22	H	0.93	0.00	2
67	1	6	DLE	HD23	H	0.93	0.00	2
68	1	6	DLE	HG	H	1.96	0.00	1
69	1	7	DSN	H	H	7.66	0.00	1
70	1	7	DSN	CA	C	58.4	0.00	1
71	1	7	DSN	CB	C	61.5	0.00	1
72	1	7	DSN	HA	H	4.27	0.00	4
73	1	7	DSN	HB2	H	4.27	0.00	2
74	1	7	DSN	HB3	H	4.19	0.00	2
75	1	8	LEU	H	H	7.32	0.00	1
76	1	8	LEU	HA	H	4.29	0.00	1
77	1	8	LEU	HB2	H	1.89	0.00	2
78	1	8	LEU	HB3	H	1.73	0.00	2
79	1	8	LEU	HG	H	1.89	0.00	4
80	1	8	LEU	HD11	H	1.02	0.00	2
81	1	8	LEU	HD12	H	1.02	0.00	2
82	1	8	LEU	HD13	H	1.02	0.00	2
83	1	8	LEU	HD21	H	0.98	0.00	2
84	1	8	LEU	HD22	H	0.98	0.00	2
85	1	8	LEU	HD23	H	0.98	0.00	2
86	1	8	LEU	CA	C	53.5	0.00	1
87	1	8	LEU	CB	C	40.3	0.00	1
88	1	8	LEU	CG	C	24.6	0.00	1
89	1	8	LEU	CD1	C	23.1	0.00	2
90	1	8	LEU	CD2	C	22.1	0.00	2
91	1	9	DSN	H	H	8.20	0.00	1
92	1	9	DSN	CA	C	57.4	0.00	1
93	1	9	DSN	CB	C	61.2	0.00	1
94	1	9	DSN	HA	H	4.27	0.00	1
95	1	9	DSN	HB2	H	3.88	0.00	2
96	1	9	DSN	HB3	H	3.80	0.00	2
97	1	10	ILE	H	H	8.13	0.00	1
98	1	10	ILE	HA	H	4.16	0.00	1
99	1	10	ILE	HB	H	1.76	0.00	1
100	1	10	ILE	HG12	H	1.60	0.00	1
101	1	10	ILE	HG13	H	1.13	0.00	1
102	1	10	ILE	HG21	H	1.00	0.00	1
103	1	10	ILE	HG22	H	1.00	0.00	1
104	1	10	ILE	HG23	H	1.00	0.00	1
105	1	10	ILE	HD11	H	0.93	0.00	1
106	1	10	ILE	HD12	H	0.93	0.00	1
107	1	10	ILE	HD13	H	0.93	0.00	1
108	1	10	ILE	CA	C	60.3	0.00	1
109	1	10	ILE	CB	C	36.9	0.00	1
110	1	10	ILE	CG1	C	24.9	0.00	1
111	1	10	ILE	CG2	C	15.2	0.00	1
112	1	10	ILE	CD1	C	10.9	0.00	1
113	1	11	ILE	H	H	7.36	0.00	1
114	1	11	ILE	HA	H	4.40	0.00	1
115	1	11	ILE	HB	H	1.78	0.00	1
116	1	11	ILE	HG12	H	1.53	0.00	1
117	1	11	ILE	HG13	H	1.15	0.00	1
118	1	11	ILE	HG21	H	0.98	0.00	1
119	1	11	ILE	HG22	H	0.98	0.00	1
120	1	11	ILE	HG23	H	0.98	0.00	1
121	1	11	ILE	HD11	H	0.93	0.00	1
122	1	11	ILE	HD12	H	0.93	0.00	1
123	1	11	ILE	HD13	H	0.93	0.00	1
124	1	11	ILE	CA	C	56.6	0.00	1
125	1	11	ILE	CB	C	39.3	0.00	1
126	1	11	ILE	CG1	C	24.8	0.00	1
127	1	11	ILE	CG2	C	15.1	0.00	1
128	1	11	ILE	CD1	C	11.4	0.00	1
129	1	12	ASP	H	H	8.90	0.00	1
130	1	12	ASP	HA	H	4.42	0.00	1
131	1	12	ASP	HB2	H	2.80	0.00	2
132	1	12	ASP	HB3	H	2.80	0.00	2
133	1	12	ASP	CA	C	51.4	0.00	1
134	1	12	ASP	CB	C	36.4	0.00	1

Release date

2023-11-12

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail