Receptor
PDB id Resolution Class Description Source Keywords
1B4N 2.4 Å EC: 1.-.-.- FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOCCUS FURIO COMPLEXED WITH GLUTARATE PYROCOCCUS FURIOSUS OXIDOREDUCTASE TUNGSTOENZYME MOCO TUNGSTEN CONTAINING PROHYPERTHERMOPHILE
Ref.: FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOC FURIOSUS: THE 1.85 A RESOLUTION CRYSTAL STRUCTURE A MECHANISTIC IMPLICATIONS. J.MOL.BIOL. V. 286 899 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:620;
B:620;
C:620;
D:620;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GUA A:622;
B:622;
C:622;
D:622;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
132.115 C5 H8 O4 C(CC(...
PTE A:623;
B:623;
C:623;
D:623;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
1031.85 C20 H29 Mg N10 O14 P2 S4 W C([C@...
SF4 A:621;
B:621;
C:621;
D:621;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
351.64 Fe4 S4 [S]12...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1B4N 2.4 Å EC: 1.-.-.- FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOCCUS FURIO COMPLEXED WITH GLUTARATE PYROCOCCUS FURIOSUS OXIDOREDUCTASE TUNGSTOENZYME MOCO TUNGSTEN CONTAINING PROHYPERTHERMOPHILE
Ref.: FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOC FURIOSUS: THE 1.85 A RESOLUTION CRYSTAL STRUCTURE A MECHANISTIC IMPLICATIONS. J.MOL.BIOL. V. 286 899 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1B4N - GUA C5 H8 O4 C(CC(=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 247 families.
1 1B4N - GUA C5 H8 O4 C(CC(=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 177 families.
1 1B4N - GUA C5 H8 O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GUA; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 GUA 1 1
2 0L1 0.647059 0.944444
3 OOG 0.590909 0.894737
4 PML 0.578947 0.894737
5 LEA 0.55 0.619048
6 AZ1 0.55 0.85
7 SHO 0.5 0.714286
8 SHF 0.428571 0.619048
9 12H 0.423077 0.652174
10 MLA 0.411765 0.65
11 SSN 0.409091 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1B4N; Ligand: GUA; Similar sites found: 35
This union binding pocket(no: 1) in the query (biounit: 1b4n.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4KQI RBZ 0.04952 0.40207 1.68539
2 4ZM4 P3B 0.02697 0.40072 1.78971
3 5DN9 NAD 0.02757 0.41615 2.47253
4 2FK8 SAM 0.02267 0.40619 2.51572
5 4MGB XDH 0.01506 0.41118 2.7451
6 1L1E SAH 0.01438 0.4181 2.78746
7 1TPY SAH 0.01619 0.41651 2.78746
8 1M3U KPL 0.009464 0.4158 3.0303
9 9ABP GAL 0.004732 0.43175 3.26797
10 9ABP GLA 0.004732 0.43175 3.26797
11 12AS AMP 0.01118 0.42674 3.33333
12 2WK9 PLP 0.0213 0.41601 3.3419
13 5FOI MY8 0.005561 0.44157 3.43137
14 3ZNR NU9 0.02035 0.408 3.5461
15 3JRS A8S 0.02355 0.40076 3.84615
16 3DZT EAH 0.01367 0.41925 3.9604
17 5U3B 7TD 0.02718 0.41276 4.01338
18 2WM4 VGJ 0.01767 0.4054 4.03877
19 1V9N NDP 0.04352 0.40484 4.44444
20 2WOX NDP 0.04662 0.40374 4.70348
21 4IRX INS 0.009646 0.40767 4.72973
22 3DNT ATP 0.02504 0.40637 4.77273
23 5IXK 6EW 0.0214 0.40809 4.82456
24 3E7O 35F 0.01762 0.4246 6.38889
25 1NQ7 ARL 0.01884 0.41066 6.55738
26 1EP2 FAD 0.02926 0.40265 7.3955
27 1YYE 196 0.01892 0.40453 7.83582
28 1KPH SAH 0.01722 0.41514 8.01394
29 4BNU 9KQ 0.008096 0.43391 8.17844
30 3RO7 TDR 0.01914 0.42127 8.30189
31 4YSX FAD 0.02516 0.42127 8.33333
32 1Z0S ATP 0.04348 0.4121 10.0719
33 5UR1 YY9 0.02026 0.43209 11.5756
34 2O5L MNR 0.01828 0.40707 14.3791
35 4LA7 A1O 0.008324 0.43543 15.0259
Pocket No.: 2; Query (leader) PDB : 1B4N; Ligand: GUA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1b4n.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1B4N; Ligand: GUA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1b4n.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1B4N; Ligand: GUA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1b4n.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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