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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 318 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 280 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 187 families.
1 1B4N - GUA C5 H8 O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GUA; Similar ligands found: 12
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 SIN 0.5625 0.882353
6 AZ1 0.55 0.85
7 LEA 0.55 0.619048
8 SHO 0.5 0.714286
9 SHF 0.428571 0.619048
10 12H 0.423077 0.652174
11 MLA 0.411765 0.65
12 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 with APoc: 69
This union binding pocket(no: 1) in the query (biounit: 1b4n.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5NTW 98N 1.55642
2 4KQI RBZ 1.68539
3 4ZM4 P3B 1.78971
4 3OBK PBG 1.96629
5 5DN9 NAD 2.47253
6 2FK8 SAM 2.51572
7 6ENO BJ8 2.61283
8 6B04 C6J 2.6393
9 3DLG GWE 2.72727
10 4XXH T6P 2.7451
11 4MGB XDH 2.7451
12 4MGD 27N 2.7451
13 5AAV GW5 2.77778
14 1L1E SAH 2.78746
15 1TPY SAH 2.78746
16 1QPR PPC 2.8169
17 1M3U KPL 3.0303
18 2HFP NSI 3.19149
19 9ABP GLA 3.26797
20 9ABP GAL 3.26797
21 12AS AMP 3.33333
22 2WK9 PLP 3.3419
23 5N9T 8QQ 3.36134
24 5FOI MY8 3.43137
25 4POJ 2VP 3.4632
26 3ZNR NU9 3.5461
27 1O68 KIV 3.63636
28 4LS7 1X9 3.75587
29 3JRS A8S 3.84615
30 3DZT EAH 3.9604
31 5U3B 7TD 4.01338
32 5HW4 SAM 4.03226
33 2WM4 VGJ 4.03877
34 1AOE GW3 4.16667
35 1AOE NDP 4.16667
36 1V9N NDP 4.44444
37 5WRE 7TL 4.51613
38 2WOX NDP 4.70348
39 4IRX INS 4.72973
40 3DNT ATP 4.77273
41 5IXK 6EW 4.82456
42 3WCA FPS 4.93151
43 3V78 ET 5.28846
44 4UTG ANP 5.49133
45 5EYG NAP 5.66038
46 4KBS PX2 6.04651
47 3STD MQ0 6.06061
48 3E7O 35F 6.38889
49 1NQ7 ARL 6.55738
50 5E58 CPZ 7.09939
51 1EP2 FAD 7.3955
52 1JQ3 AAT 7.43243
53 1YYE 196 7.83582
54 1KPG SAH 8.01394
55 1KPH SAH 8.01394
56 4BNU 9KQ 8.17844
57 3RO7 TDR 8.30189
58 4YSX FAD 8.33333
59 3UWB BB2 8.44156
60 5HYR EST 9.68992
61 6F5U CQN 9.69697
62 3MKN DNB 9.81013
63 1Z0S ATP 10.0719
64 5OFI 9TQ 10.6557
65 4RDZ MYR 10.7595
66 5UR1 YY9 11.5756
67 2O5L MNR 14.3791
68 4LA7 A1O 15.0259
69 5TDU PCR 15.4762
Pocket No.: 2; Query (leader) PDB : 1B4N; Ligand: GUA; Similar sites found with APoc: 48
This union binding pocket(no: 2) in the query (biounit: 1b4n.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1RJD SAM 1.79641
2 5VRH OLB 2.10728
3 3MVH WFE 2.33918
4 3VRV YSD 2.58303
5 4U0S ADP 2.90698
6 1UMP SQA 3.23102
7 3VNM SDD 3.41297
8 1NHZ 486 3.57143
9 4A0M NAD 3.62903
10 1P1M MET 3.69458
11 4LSJ LSJ 3.87597
12 1UA4 BGC 3.95604
13 1UA4 GLC 3.95604
14 3LDW ZOL 4.0404
15 2A1L PCW 4.07407
16 2CXS F6P 4.3088
17 4PU5 ANP 4.41501
18 5TPV TYD 4.57516
19 3M6P BB2 4.66321
20 3UA1 08Y 4.72279
21 3R1V AZB 4.72441
22 4QC6 30N 5.02793
23 3VMG 9CA 5.61225
24 3G08 FEE 6.06061
25 1YMT DR9 6.09756
26 3WFD AXO 6.16438
27 2QO4 CHD 6.34921
28 3V49 PK0 6.39098
29 4DR9 BB2 6.77083
30 5HCN DAO 6.89655
31 3WYJ H78 7.11462
32 3BKR PLM 7.14286
33 6FS0 E4W 7.33945
34 6FMC DUE 8.22785
35 4O79 ASC 8.26087
36 2YJD YJD 8.75
37 2RHW C0E 8.83392
38 4RHP PEF 8.93617
39 1O7Q UDP 9.34256
40 1ZDU P3A 10.2041
41 2A8Y MTA 10.3704
42 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 11.0497
43 2E3N 6CM 11.7647
44 3KDJ A8S 14.8734
45 3RMK BML 15.6627
46 1UBY DMA 15.8038
47 4REF 3N0 16.4062
48 1M5B BN1 22.8137
Pocket No.: 3; Query (leader) PDB : 1B4N; Ligand: GUA; Similar sites found with APoc: 26
This union binding pocket(no: 3) in the query (biounit: 1b4n.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3F5K CE5 1.8711
2 3RDE OYP 1.91972
3 4FHD EEM 2.17391
4 4FHD 0TT 2.17391
5 5DXE EST 2.68199
6 5DXG EST 2.68199
7 3E2M E2M 2.7027
8 2QZO KN1 2.71318
9 4MG8 27J 2.7451
10 4TUZ 36J 2.7451
11 3O75 F1X 2.94118
12 4WAS COO 3.84615
13 3GL0 HXX 4.01146
14 1EKO I84 4.12698
15 1EKO NAP 4.12698
16 5UC1 486 4.5045
17 4ZON 4Q1 4.80769
18 3ABA FLI 6.45161
19 2CFC KPC 6.8
20 1M13 HYF 8.22785
21 4J26 EST 8.75
22 5DX3 EST 9.57854
23 4JZX 476 11.326
24 1RE9 DSO 14.2512
25 4LAE NAP 26.3473
26 4LAE 1VM 26.3473
Pocket No.: 4; Query (leader) PDB : 1B4N; Ligand: GUA; Similar sites found with APoc: 14
This union binding pocket(no: 4) in the query (biounit: 1b4n.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4E1O PLP PVH 1.6632
2 5ESO TDP 2.26481
3 5ESO ISC 2.26481
4 5XNC MTA 2.96496
5 3FPF MTA 3.02013
6 3FPF TNA 3.02013
7 2QE0 NAP 3.36842
8 2WUF KEM 4.811
9 5UR0 NAD 5.44413
10 2O3Z AI7 7.01107
11 5G57 6M5 7.22222
12 4J24 EST 8.75
13 5WGQ EST 9.57854
14 3L0E G58 20.1581
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