BMRB: 34783

Macrophage inhibitory factor (MIF) in complex with small molecule PAV174

Authors

Mueller, A., Torres, F., Roland, R., Korth, C.

Assembly

Macrophage migration inhibitory factor (E.C.5.3.2.1,5.3.3.12)

Entity

1. Macrophage migration inhibitory factor (E.C.5.3.2.1,5.3.3.12), entity 1 (polymer), 114 monomers, 12344.97 × 3 Da Detail

PMFIVNTNVP RASVPDGFLS ELTQQLAQAT GKPPQYIAVH VVPDQLMAFG GSSEPCALCS LHSIGKIGGA QNRSYSKLLC GLLAERLRIS PDRVYINYYD MNAANVGWNN STFA

2. Macrophage migration inhibitory factor (E.C.5.3.2.1,5.3.3.12), entity 2 (non-polymer), 379.561 Da

Total weight

37414.473 Da

Max. entity weight

12344.97 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 85 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	36	TYR	HD1	H	6.228	0.020	1
2	1	36	TYR	HD2	H	6.228	0.020	1
3	1	36	TYR	HE1	H	6.976	0.020	1
4	1	36	TYR	HE2	H	6.976	0.020	1
5	1	49	PHE	HE1	H	7.222	0.020	1
6	1	49	PHE	HE2	H	7.222	0.020	1
7	1	106	VAL	HG11	H	0.808	0.020	2
8	1	106	VAL	HG12	H	0.808	0.020	2
9	1	106	VAL	HG13	H	0.808	0.020	2
10	1	106	VAL	HG21	H	0.467	0.020	2
11	1	106	VAL	HG22	H	0.467	0.020	2
12	1	106	VAL	HG23	H	0.467	0.020	2
13	1	108	TRP	HD1	H	7.077	0.020	1
14	1	108	TRP	HE1	H	7.109	0.020	1
15	1	108	TRP	HE3	H	7.109	0.020	1
16	1	113	PHE	HD1	H	6.411	0.020	1
17	1	113	PHE	HD2	H	6.411	0.020	1
18	1	113	PHE	HE1	H	6.872	0.020	1
19	1	113	PHE	HE2	H	6.872	0.020	1
20	1	36	TYR	HD1	H	6.228	0.020	1
21	1	36	TYR	HD2	H	6.228	0.020	1
22	1	36	TYR	HE1	H	6.976	0.020	1
23	1	36	TYR	HE2	H	6.976	0.020	1
24	1	49	PHE	HE1	H	7.222	0.020	1
25	1	49	PHE	HE2	H	7.222	0.020	1
26	1	106	VAL	HG11	H	0.808	0.020	2
27	1	106	VAL	HG12	H	0.808	0.020	2
28	1	106	VAL	HG13	H	0.808	0.020	2
29	1	106	VAL	HG21	H	0.476	0.020	2
30	1	106	VAL	HG22	H	0.476	0.020	2
31	1	106	VAL	HG23	H	0.476	0.020	2
32	1	108	TRP	HD1	H	7.077	0.020	1
33	1	108	TRP	HE1	H	7.109	0.020	1
34	1	108	TRP	HE3	H	7.109	0.020	1
35	1	113	PHE	HD1	H	6.411	0.020	1
36	1	113	PHE	HD2	H	6.411	0.020	1
37	1	113	PHE	HE1	H	6.872	0.020	1
38	1	113	PHE	HE2	H	6.872	0.020	1
39	1	36	TYR	HD1	H	6.228	0.020	1
40	1	36	TYR	HD2	H	6.228	0.020	1
41	1	36	TYR	HE1	H	6.976	0.020	1
42	1	36	TYR	HE2	H	6.976	0.020	1
43	1	49	PHE	HE1	H	7.222	0.020	1
44	1	49	PHE	HE2	H	7.222	0.020	1
45	1	106	VAL	HG11	H	0.808	0.020	2
46	1	106	VAL	HG12	H	0.808	0.020	2
47	1	106	VAL	HG13	H	0.808	0.020	2
48	1	106	VAL	HG21	H	0.476	0.020	2
49	1	106	VAL	HG22	H	0.476	0.020	2
50	1	106	VAL	HG23	H	0.476	0.020	2
51	1	108	TRP	HD1	H	7.077	0.020	1
52	1	108	TRP	HE1	H	7.109	0.020	1
53	1	108	TRP	HE3	H	7.109	0.020	1
54	1	113	PHE	HD1	H	6.411	0.020	1
55	1	113	PHE	HD2	H	6.411	0.020	1
56	1	113	PHE	HE1	H	6.872	0.020	1
57	1	113	PHE	HE2	H	6.872	0.020	1
58	2	1	VIU	H19	H	1.857	0.020	2
59	2	1	VIU	H1A	H	1.857	0.020	2
60	2	1	VIU	H17	H	3.314	0.020	2
61	2	1	VIU	H18	H	3.314	0.020	2
62	2	1	VIU	H1B	H	1.857	0.020	2
63	2	1	VIU	H1C	H	1.857	0.020	2
64	2	1	VIU	H1D	H	3.309	0.020	2
65	2	1	VIU	H1E	H	3.309	0.020	2
66	2	1	VIU	H0S	H	6.696	0.020	1
67	2	1	VIU	H0T	H	6.502	0.020	1
68	2	1	VIU	H0U	H	6.506	0.020	1
69	2	1	VIU	H11	H	1.870	0.020	2
70	2	1	VIU	H12	H	1.870	0.020	2
71	2	1	VIU	H0Z	H	3.308	0.020	2
72	2	1	VIU	H10	H	3.308	0.020	2
73	2	1	VIU	H13	H	1.870	0.020	2
74	2	1	VIU	H14	H	1.870	0.020	2
75	2	1	VIU	H15	H	3.309	0.020	2
76	2	1	VIU	H16	H	3.309	0.020	2
77	2	1	VIU	H0V	H	6.769	0.020	1
78	2	1	VIU	H0W	H	2.370	0.020	1
79	2	1	VIU	H0X	H	2.370	0.020	1
80	2	1	VIU	H0Y	H	2.370	0.020	1
81	2	1	VIU	H1F	H	2.812	0.020	2
82	2	1	VIU	H1G	H	2.812	0.020	2
83	2	1	VIU	H1H	H	1.176	0.020	1
84	2	1	VIU	H1I	H	1.176	0.020	1
85	2	1	VIU	H1J	H	1.176	0.020	1

Release date

2023-06-15

Citation

Oxidized MIF is a drug target at the molecular intersection between immune activation and tau cellular pathology
Mueller-Schiffmann, A., Torres, F., Kitaygorodskyy, A., Ramani, A., Alatza, A., Tschirner, S., Prikulis, I., Yu, S., Dey, D., Mallesh, S., Prasad, D., Solas, D., Bader, V., Rozemuller, A., Wray, S., Gopalakrishnan, J., Riek, R., Lingappa, V.R., Korth, C.

Related entities 1. Macrophage migration inhibitory factor (E.C.5.3.2.1,5.3.3.12), entity 1, : 1 : 74 : 5 : 22 : 58 entities Detail

Interaction partners 1. Macrophage migration inhibitory factor (E.C.5.3.2.1,5.3.3.12), entity 1, : 47 interactors Detail

Experiments performed 1 experiments Detail

Chemical shift validation 4 contents Detail