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Receptor
PDB id Resolution Class Description Source Keywords
4PW9 2.49 Å EC: 1.8.3.1 CRYSTAL STRUCTURE OF THE ELECTRON-TRANSFER COMPLEX FORMED BE SULFITE DEHYDROGENASE AND A C-TYPE CYTOCHROME FROM SINORHIZM ELILOTI SINORHIZOBIUM MELILOTI SULFITE OXIDASE SULFITE DEHYDROGENASE MOLYBDOPTERIN OXIDOREDUCTASE ELECTRON TRANSPORT ELECTRON TRANSFER ELECTRANSFER COMPLEX C-TYPE CYTOCHROME HEME OXIDOREDUCTASE-ETRANSPORT COMPLEX
Ref.: STRUCTURAL BASIS OF INTERPROTEIN ELECTRON TRANSFER BACTERIAL SULFITE OXIDATION. ELIFE V. 4 09066 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MSS A:401;
Valid;
none;
submit data
505.275 C10 H12 Mo N5 O7 P S2 C([C@...
HEC B:201;
Part of Protein;
none;
submit data
618.503 C34 H34 Fe N4 O4 CC=C1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PW9 2.49 Å EC: 1.8.3.1 CRYSTAL STRUCTURE OF THE ELECTRON-TRANSFER COMPLEX FORMED BE SULFITE DEHYDROGENASE AND A C-TYPE CYTOCHROME FROM SINORHIZM ELILOTI SINORHIZOBIUM MELILOTI SULFITE OXIDASE SULFITE DEHYDROGENASE MOLYBDOPTERIN OXIDOREDUCTASE ELECTRON TRANSPORT ELECTRON TRANSFER ELECTRANSFER COMPLEX C-TYPE CYTOCHROME HEME OXIDOREDUCTASE-ETRANSPORT COMPLEX
Ref.: STRUCTURAL BASIS OF INTERPROTEIN ELECTRON TRANSFER BACTERIAL SULFITE OXIDATION. ELIFE V. 4 09066 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PW9 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4PW9 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4PW9 - MSS C10 H12 Mo N5 O7 P S2 C([C@@H]1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MSS; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 MSS 1 1
2 XAX 0.666667 0.974359
3 MTE 0.6 0.884615
4 PTE 0.432432 0.9
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PW9; Ligand: MSS; Similar sites found with APoc: 63
This union binding pocket(no: 1) in the query (biounit: 4pw9.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1F9V ADP 2.30548
3 3BP1 GUN 2.75862
4 4U8P UDP 2.83019
5 4U8P FDA 2.83019
6 1TL2 NDG 2.9661
7 4JLS 3ZE 3.28947
8 1PZM 5GP 3.31754
9 5XLS URA 3.77358
10 4RUS NDG 3.78151
11 5KJW 53C 3.79404
12 4RPL 3UC 4.06504
13 4RPL FAD 4.06504
14 5N53 8NB 4.10256
15 5C2N NAG 4.16667
16 3FSY SCA 4.51807
17 1VMK GUN 4.69314
18 3ZUY TCH 4.71698
19 2JBH 5GP 4.88889
20 1L0I PSR 5.12821
21 3EYY MLI 5.51724
22 6I6X TLA 5.66038
23 4BTV RB3 5.66038
24 2F6D ACR 5.66038
25 2CYC TYR 5.66038
26 1Y42 TYR 5.66038
27 1HGX 5GP 6.01093
28 1II5 GLU 6.43777
29 3DUV KDO 6.60377
30 3K8D KDO 6.60377
31 2UYN 2KT 6.60377
32 2RCU BUJ 6.60377
33 2UYP PPI 6.60377
34 2YFB SIN 6.97674
35 4TS1 TYR 7.54717
36 6AR9 3L4 7.72059
37 1Y2W NAG 7.74648
38 6EOM ALA LYS 8.40108
39 1T36 ORN 8.49057
40 1GPJ CIT 8.49057
41 4UBS DIF 9.43396
42 3R6K FUC GAL GLA 9.43396
43 1O5O U5P 10.3774
44 5WXU FLC 10.3774
45 5DY5 5GR 10.3774
46 1V7Z CRN 10.7692
47 1SQL GUN 11.6438
48 4LO6 SIA GAL 12.2642
49 3KIF GDL 13.2075
50 3JQF AX2 13.2075
51 3DOO SKM 13.7184
52 2OFD NGA 14.0845
53 2OFE NAG 14.0845
54 4Z2S NAG 14.0845
55 4Z2S NDG 14.0845
56 1Q11 TYE 14.1509
57 4YEF 4CQ 15.7303
58 1YQZ FAD 16.0377
59 1XDY MTE 16.443
60 1NBU PH2 19.8113
61 5WHT SIA GAL GLC 22.4638
62 2XTS MTE 38.2114
63 2BII MTV 42.0054
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