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Receptor
PDB id Resolution Class Description Source Keywords
2X0K 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MODULAR FAD SYNTHETASE FROM CORYNEBACTERIUM AMMONIAGENES CORYNEBACTERIUM AMMONIAGENES RIBOFLAVIN KINASE NUCLEOTIDE-BINDING TRANSFERASE ATP-BINDMULTIFUNCTIONAL ENZYME NUCLEOTIDYLTRANSFERASE
Ref.: OLIGOMERIC STATE IN THE CRYSTAL STRUCTURE OF MODULA SYNTHETASE PROVIDES INSIGHTS INTO ITS SEQUENTIAL CA IN PROKARYOTES J.MOL.BIOL. V. 400 218 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PPV A:1340;
B:2340;
Valid;
Valid;
none;
none;
submit data
177.975 H4 O7 P2 OP(=O...
SO4 A:1339;
B:2339;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X0K 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MODULAR FAD SYNTHETASE FROM CORYNEBACTERIUM AMMONIAGENES CORYNEBACTERIUM AMMONIAGENES RIBOFLAVIN KINASE NUCLEOTIDE-BINDING TRANSFERASE ATP-BINDMULTIFUNCTIONAL ENZYME NUCLEOTIDYLTRANSFERASE
Ref.: OLIGOMERIC STATE IN THE CRYSTAL STRUCTURE OF MODULA SYNTHETASE PROVIDES INSIGHTS INTO ITS SEQUENTIAL CA IN PROKARYOTES J.MOL.BIOL. V. 400 218 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2X0K - PPV H4 O7 P2 OP(=O)(O)O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2X0K - PPV H4 O7 P2 OP(=O)(O)O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2X0K - PPV H4 O7 P2 OP(=O)(O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PPV; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PPV 1 1
2 PIS 0.642857 0.84
3 3PO 0.6 1
4 6YW 0.529412 1
5 PPK 0.473684 0.7
6 POP 0.466667 0.909091
7 XPO 0.411765 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2X0K; Ligand: PPV; Similar sites found with APoc: 50
This union binding pocket(no: 1) in the query (biounit: 2x0k.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1BXG NAD 1.18343
2 4DXJ IPE 2.07101
3 2WET TRP 2.36686
4 5WX3 COA 2.36686
5 2PW0 TRC 3.02267
6 3N3T C2E 3.06122
7 3NC9 TR3 3.19489
8 2HVW DDN 3.26087
9 3COW 52H 3.32226
10 2HW1 ANP 3.3557
11 5DEX 5E0 3.42466
12 1PA9 CSN 3.52113
13 2FLI DX5 3.63636
14 3HL4 CDC 3.81356
15 1WUU GLA 3.84615
16 2X3F APC 3.85965
17 4YBN FAD 4.01786
18 3GGU 017 4.0404
19 4NAT ADP 4.375
20 4NAT 2W5 4.375
21 3DAA PDD 4.69314
22 3ABI NAD 4.73373
23 1FL2 FAD 4.83871
24 4WB7 ATP 5.02959
25 3C8Z 5CA 5.32544
26 5LLT DND 5.6338
27 3QDL FMN 5.71429
28 4FHT DHB 5.73248
29 2ZWI C5P 6.21302
30 2H29 DND 6.34921
31 5O0B 9FE 6.79012
32 6AM8 PLT 6.80473
33 5UY8 AMZ 7.39645
34 2A5J GDP 7.8534
35 5Z2M GTP 7.97101
36 5ODQ 9SB 8.57988
37 4YP5 NAP 8.83978
38 4ZLU ADP 10.9467
39 1F9A ATP 11.9048
40 4QVB F42 12.9252
41 1G16 GDP 14.7059
42 3ND6 ATP 15.2047
43 1YUM NCN 16.1157
44 3VPB GLU 17.8571
45 6CHP F0Y 18.0124
46 3X1M COA 18.8679
47 3UC5 ATP 20.3822
48 1G27 BB1 25
49 5X3D 7XL 25.625
50 1N1D C2G 48.8372
Pocket No.: 2; Query (leader) PDB : 2X0K; Ligand: PPV; Similar sites found with APoc: 22
This union binding pocket(no: 2) in the query (biounit: 2x0k.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 3FED BIX 2.66272
2 5JCA FAD 2.8169
3 2AR6 NAG MAN 2.95858
4 4D9M 0JO 3.25444
5 2A92 NAI 3.42679
6 2AUY NAG MAN MMA 3.96825
7 2RCU BUJ 4.14201
8 1DRY AAG 4.62963
9 1DRY AKG 4.62963
10 4YRY FAD 4.71014
11 6B3V 7DQ 5.02959
12 6B3V ANP 5.02959
13 3FJG 3PG 5.17928
14 1ZOS MTM 5.21739
15 2X6T NAP 5.32544
16 5U3F 7TS 6.50888
17 5CB8 ADX 7.1066
18 1VG0 GDP 7.39645
19 1VG9 GDP 7.39645
20 4WKC BIG 8.16327
21 1KQN NAD 11.828
22 3S43 478 15.1515
Pocket No.: 3; Query (leader) PDB : 2X0K; Ligand: PPV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2x0k.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2X0K; Ligand: PPV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2x0k.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2X0K; Ligand: PPV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2x0k.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2X0K; Ligand: PPV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2x0k.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2X0K; Ligand: PPV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2x0k.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2X0K; Ligand: PPV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2x0k.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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