Receptor
PDB id Resolution Class Description Source Keywords
2WBO 1.3 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF VIOC IN COMPLEX WITH L-ARGININE STREPTOMYCES VINACEUS L-ARGININE OXYGENASE NON-HEME FE(II) HYDROXYLASE CBETA- HYDROXYLATION VIOMYCIN NRPS ALPHA-KETOGLUTARATE OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR THE ERYTHRO-STEREOSPECIFICITY OF THE L-ARGININE OXYGENASE VIOC IN VIOMYCIN BIOSYNTHESIS. FEBS J. V. 276 3669 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG A:1360;
Valid;
none;
submit data
175.209 C6 H15 N4 O2 C(C[C...
FE2 A:1358;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
TLA A:1359;
Valid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WBP 1.16 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF VIOC IN COMPLEX WITH FE(II), (2S,3S)- HYDROXYARGININE, AND SUCCINATE STREPTOMYCES VINACEUS OXIDOREDUCTASE NON-HEME FE(II) HYDROXYLASE CBETA-HYDROXYLATION NRPS VIOMYCIN ALPHA-KETOGLUTARATE
Ref.: STRUCTURAL BASIS FOR THE ERYTHRO-STEREOSPECIFICITY OF THE L-ARGININE OXYGENASE VIOC IN VIOMYCIN BIOSYNTHESIS. FEBS J. V. 276 3669 2009
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 2WBO - TLA C4 H6 O6 [C@@H]([C@....
2 6ALP - SIN C4 H6 O4 O=C([O-])C....
3 2WBP - SIN C4 H6 O4 O=C([O-])C....
4 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
5 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
6 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
7 6ALQ - SIN C4 H6 O4 O=C([O-])C....
8 6ALR - SIN C4 H6 O4 O=C([O-])C....
9 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 2WBO - TLA C4 H6 O6 [C@@H]([C@....
2 6ALP - SIN C4 H6 O4 O=C([O-])C....
3 2WBP - SIN C4 H6 O4 O=C([O-])C....
4 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
5 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
6 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
7 6ALQ - SIN C4 H6 O4 O=C([O-])C....
8 6ALR - SIN C4 H6 O4 O=C([O-])C....
9 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 2WBO - TLA C4 H6 O6 [C@@H]([C@....
2 6ALP - SIN C4 H6 O4 O=C([O-])C....
3 2WBP - SIN C4 H6 O4 O=C([O-])C....
4 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
5 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
6 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
7 6ALQ - SIN C4 H6 O4 O=C([O-])C....
8 6ALR - SIN C4 H6 O4 O=C([O-])C....
9 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
10 4M2G - 2OR C6 H15 N4 O4 C([C@H]([C....
11 4M26 - ZZU C6 H14 N4 O3 C(CNC(=N)N....
12 4M2E - HRG C7 H16 N4 O2 C(CCNC(=N)....
13 4M2C - DAR C6 H15 N4 O2 C(C[C@H](C....
14 4M25 - AKG C5 H6 O5 C(CC(=O)O)....
15 4M2F - GGB C5 H12 N4 O3 [H]/N=C(N)....
16 4M27 - ARG C6 H15 N4 O2 C(C[C@@H](....
17 4NE0 - SIN C4 H6 O4 O=C([O-])C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 DAR 1 1
2 ARG 1 1
3 CIR 0.735294 0.763158
4 AAR 0.705882 0.783784
5 ILO 0.615385 0.783784
6 3AR 0.595238 0.891892
7 HAR 0.585366 0.780488
8 VUR 0.585366 0.810811
9 4JK 0.585366 0.789474
10 VIO 0.581395 0.769231
11 WT2 0.571429 0.805556
12 DA2 0.55814 0.744186
13 3KJ 0.545455 0.680851
14 2YH 0.545455 0.65
15 1KJ 0.533333 0.744186
16 JM2 0.533333 0.731707
17 2YJ 0.521739 0.619048
18 NRG 0.521739 0.622642
19 RPI 0.521739 0.64
20 API 0.515152 0.611111
21 LN6 0.510638 0.725
22 JM7 0.5 0.731707
23 HRG 0.5 0.941176
24 D20 0.489796 0.744186
25 AS1 0.489796 0.8
26 2KJ 0.489796 0.727273
27 ORN 0.472222 0.757576
28 JM6 0.470588 0.697674
29 JM4 0.470588 0.697674
30 JM8 0.470588 0.714286
31 MLZ 0.463415 0.65
32 JM5 0.461538 0.714286
33 DLY 0.447368 0.735294
34 DAB 0.441176 0.685714
35 LYS 0.435897 0.764706
36 0TF 0.428571 0.619048
37 2YG 0.42 0.619048
38 PG3 0.416667 0.756757
39 6CL 0.414634 0.638889
Ligand no: 2; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SRT 1 1
2 TLA 1 1
3 TAR 1 1
4 RAT 0.588235 1
5 GAE 0.588235 1
6 LGT 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WBP; Ligand: ARG; Similar sites found: 2
This union binding pocket(no: 1) in the query (biounit: 2wbp.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5B2E MQG 0.01908 0.43462 2.94118
2 3GWN FAD 0.02538 0.41333 4.38596
Pocket No.: 2; Query (leader) PDB : 2WBP; Ligand: SIN; Similar sites found: 37
This union binding pocket(no: 2) in the query (biounit: 2wbp.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2I0D MUT 0.02529 0.40736 None
2 4YRD 3IT 0.007976 0.41524 1.39665
3 4IE6 UN9 0.0005471 0.41528 1.67598
4 2Q8C AKG 0.008045 0.43219 1.70455
5 4P7X AKG 0.001268 0.41308 1.71233
6 4P7X YCP 0.001268 0.41308 1.71233
7 3OPT AKG 0.01966 0.41195 1.95531
8 1NSA BEN 0.02015 0.4062 1.95531
9 5IVE 6E8 0.009018 0.40163 2.12121
10 5K8V 6RE 0.01414 0.41454 2.51397
11 2JBM SRT 0.01559 0.4047 2.67559
12 5ECP ATP 0.01588 0.40355 2.69058
13 5ECP JAA 0.01671 0.40075 2.69058
14 1OS7 TAU 0.0001527 0.45494 2.82686
15 1OS7 AKG 0.0001527 0.45494 2.82686
16 5L9V OGA 0.001386 0.4592 3.1746
17 4XAC AKG 0.00002764 0.41832 3.1746
18 4BQY FNT 0.005508 0.40669 3.1746
19 2OVD DAO 0.02895 0.40296 3.2967
20 5C5T AKG 0.0001635 0.51124 3.50877
21 2PR5 FMN 0.007664 0.40378 3.78788
22 3PUR 2HG 0.002492 0.46058 3.91061
23 5LUN ARG 0.00244 0.41996 3.97727
24 5LUN OGA 0.003424 0.4138 3.97727
25 4J25 OGA 0.0001353 0.40399 4.36681
26 5M0T AKG 0.00002069 0.56868 4.7619
27 4OJ8 2TQ 0.01318 0.41141 5.11945
28 4OJ8 AKG 0.01546 0.40495 5.11945
29 5IQT AKG 0.005452 0.40381 6.34921
30 5IQT 6CU 0.005874 0.40087 6.34921
31 3AVR OGA 0.001069 0.47755 6.42458
32 3KV5 OGA 0.01052 0.4187 6.98324
33 5EPA AKG 0.00006 0.41912 8.24373
34 5FLJ QUE 0.001494 0.41964 9.67742
35 4OCT AKG 0.0006217 0.40532 14.4144
36 1DRY AAG 0.000000000007274 0.7795 39.6648
37 1DRY AKG 0.000000000007274 0.7795 39.6648
Pocket No.: 3; Query (leader) PDB : 2WBP; Ligand: ZZU; Similar sites found: 37
This union binding pocket(no: 3) in the query (biounit: 2wbp.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2I0D MUT 0.02529 0.40736 None
2 4YRD 3IT 0.007976 0.41524 1.39665
3 4IE6 UN9 0.0005471 0.41528 1.67598
4 2Q8C AKG 0.008045 0.43219 1.70455
5 4P7X AKG 0.001268 0.41308 1.71233
6 4P7X YCP 0.001268 0.41308 1.71233
7 3OPT AKG 0.01966 0.41195 1.95531
8 1NSA BEN 0.02015 0.4062 1.95531
9 5IVE 6E8 0.009018 0.40163 2.12121
10 5K8V 6RE 0.01414 0.41454 2.51397
11 2JBM SRT 0.01559 0.4047 2.67559
12 5ECP ATP 0.01588 0.40355 2.69058
13 5ECP JAA 0.01671 0.40075 2.69058
14 1OS7 TAU 0.0001527 0.45494 2.82686
15 1OS7 AKG 0.0001527 0.45494 2.82686
16 5L9V OGA 0.001386 0.4592 3.1746
17 4XAC AKG 0.00002764 0.41832 3.1746
18 4BQY FNT 0.005508 0.40669 3.1746
19 2OVD DAO 0.02895 0.40296 3.2967
20 5C5T AKG 0.0001635 0.51124 3.50877
21 2PR5 FMN 0.007664 0.40378 3.78788
22 3PUR 2HG 0.002492 0.46058 3.91061
23 5LUN ARG 0.00244 0.41996 3.97727
24 5LUN OGA 0.003424 0.4138 3.97727
25 4J25 OGA 0.0001353 0.40399 4.36681
26 5M0T AKG 0.00002069 0.56868 4.7619
27 4OJ8 2TQ 0.01318 0.41141 5.11945
28 4OJ8 AKG 0.01546 0.40495 5.11945
29 5IQT AKG 0.005452 0.40381 6.34921
30 5IQT 6CU 0.005874 0.40087 6.34921
31 3AVR OGA 0.001069 0.47755 6.42458
32 3KV5 OGA 0.01052 0.4187 6.98324
33 5EPA AKG 0.00006 0.41912 8.24373
34 5FLJ QUE 0.001494 0.41964 9.67742
35 4OCT AKG 0.0006217 0.40532 14.4144
36 1DRY AAG 0.000000000007274 0.7795 39.6648
37 1DRY AKG 0.000000000007274 0.7795 39.6648
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