Macrophage inhibitory factor (MIF) in complex with small molecule PAV174
PMFIVNTNVP RASVPDGFLS ELTQQLAQAT GKPPQYIAVH VVPDQLMAFG GSSEPCALCS LHSIGKIGGA QNRSYSKLLC GLLAERLRIS PDRVYINYYD MNAANVGWNN STFA
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 |