Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG A:1361;
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...
GOL A:1362;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SIN A:1360;
Valid;
none;
submit data
118.088 C4 H6 O4 C(CC(...
ZZU A:1359;
Valid;
none;
submit data
190.2 C6 H14 N4 O3 C(CNC...
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 (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 6DAX - HRG C7 H16 N4 O2 C(CCNC(=N)....
2 2WBO - TLA C4 H6 O6 [C@@H]([C@....
3 6ALP - SIN C4 H6 O4 C(CC(=O)O)....
4 2WBP - SIN C4 H6 O4 C(CC(=O)O)....
5 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
6 6MP9 - JX7 C6 H11 N3 O3 [H]/N=C(/N....
7 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
8 6DB2 - SIN C4 H6 O4 C(CC(=O)O)....
9 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
10 6ALQ - SIN C4 H6 O4 C(CC(=O)O)....
11 6MP8 - DAR C6 H15 N4 O2 C(C[C@H](C....
12 6DAZ - SIN C4 H6 O4 C(CC(=O)O)....
13 6ALR - SIN C4 H6 O4 C(CC(=O)O)....
14 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 6DAX - HRG C7 H16 N4 O2 C(CCNC(=N)....
2 2WBO - TLA C4 H6 O6 [C@@H]([C@....
3 6ALP - SIN C4 H6 O4 C(CC(=O)O)....
4 2WBP - SIN C4 H6 O4 C(CC(=O)O)....
5 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
6 6MP9 - JX7 C6 H11 N3 O3 [H]/N=C(/N....
7 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
8 6DB2 - SIN C4 H6 O4 C(CC(=O)O)....
9 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
10 6ALQ - SIN C4 H6 O4 C(CC(=O)O)....
11 6MP8 - DAR C6 H15 N4 O2 C(C[C@H](C....
12 6DAZ - SIN C4 H6 O4 C(CC(=O)O)....
13 6ALR - SIN C4 H6 O4 C(CC(=O)O)....
14 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 6DAX - HRG C7 H16 N4 O2 C(CCNC(=N)....
2 2WBO - TLA C4 H6 O6 [C@@H]([C@....
3 6ALP - SIN C4 H6 O4 C(CC(=O)O)....
4 2WBP - SIN C4 H6 O4 C(CC(=O)O)....
5 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
6 6MP9 - JX7 C6 H11 N3 O3 [H]/N=C(/N....
7 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
8 6DB2 - SIN C4 H6 O4 C(CC(=O)O)....
9 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
10 6ALQ - SIN C4 H6 O4 C(CC(=O)O)....
11 6MP8 - DAR C6 H15 N4 O2 C(C[C@H](C....
12 6DAZ - SIN C4 H6 O4 C(CC(=O)O)....
13 6ALR - SIN C4 H6 O4 C(CC(=O)O)....
14 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
15 6DAW - ARG C6 H15 N4 O2 C(C[C@@H](....
16 4M2G - 2OR C6 H15 N4 O4 C([C@H]([C....
17 4M26 - ZZU C6 H14 N4 O3 C(CNC(=N)N....
18 4M2E - HRG C7 H16 N4 O2 C(CCNC(=N)....
19 4M2C - DAR C6 H15 N4 O2 C(C[C@H](C....
20 4M25 - AKG C5 H6 O5 C(CC(=O)O)....
21 4M2F - GGB C5 H12 N4 O3 [H]/N=C(N)....
22 4M27 - ARG C6 H15 N4 O2 C(C[C@@H](....
23 4NE0 - SIN C4 H6 O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG 1 1
2 DAR 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 4JK 0.585366 0.789474
8 NMM 0.585366 0.888889
9 VUR 0.585366 0.810811
10 HAR 0.585366 0.780488
11 VIO 0.581395 0.769231
12 WT2 0.571429 0.805556
13 DA2 0.55814 0.744186
14 2MR 0.545455 0.864865
15 2YH 0.545455 0.65
16 3KJ 0.545455 0.680851
17 1KJ 0.533333 0.744186
18 JM2 0.533333 0.731707
19 NRG 0.521739 0.622642
20 RPI 0.521739 0.64
21 2YJ 0.521739 0.619048
22 API 0.515152 0.611111
23 LN6 0.510638 0.725
24 HRG 0.5 0.941176
25 JM7 0.5 0.731707
26 2KJ 0.489796 0.727273
27 D20 0.489796 0.744186
28 AS1 0.489796 0.8
29 ORN 0.472222 0.757576
30 JM8 0.470588 0.714286
31 JM6 0.470588 0.697674
32 JM4 0.470588 0.697674
33 LYS ARG LYS ARG LYS ARG LYS ARG 0.463415 0.848485
34 MLZ 0.463415 0.65
35 JM5 0.461538 0.714286
36 DLY 0.447368 0.735294
37 DAB 0.441176 0.685714
38 LYS 0.435897 0.764706
39 0TF 0.428571 0.619048
40 2YG 0.42 0.619048
41 PG3 0.416667 0.756757
42 6CL 0.414634 0.638889
Ligand no: 2; Ligand: SIN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 3OH 0.6 0.65
3 SHF 0.588235 0.684211
4 BUA 0.5625 0.611111
5 SLP 0.5625 0.6
6 0L1 0.5625 0.833333
7 GUA 0.5625 0.882353
8 AKG 0.526316 0.833333
9 PML 0.5 0.789474
10 MLA 0.5 0.722222
11 2IT 0.5 0.625
12 SSN 0.473684 0.866667
13 AZ1 0.473684 0.75
14 OKG 0.454545 0.7
15 TCE 0.45 0.625
16 SHO 0.428571 0.619048
17 9J3 0.416667 0.608696
Ligand no: 3; Ligand: ZZU; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 ZZU 1 1
2 G3M 0.65 0.947368
3 CUW 0.45 0.763158
4 HRG 0.422222 0.794872
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WBP; Ligand: ARG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2wbp.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2WBP; Ligand: SIN; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 2wbp.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1NX4 AKG 5.12821
2 6F6J CUW 37.1508
3 6F6J SIN 37.1508
4 1DRY AKG 39.6648
5 1DRY AAG 39.6648
Pocket No.: 3; Query (leader) PDB : 2WBP; Ligand: ZZU; Similar sites found with APoc: 5
This union binding pocket(no: 3) in the query (biounit: 2wbp.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1NX4 AKG 5.12821
2 6F6J CUW 37.1508
3 6F6J SIN 37.1508
4 1DRY AKG 39.6648
5 1DRY AAG 39.6648
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