Receptor
PDB id Resolution Class Description Source Keywords
3KOX 2.4 Å EC: 5.-.-.- CRYSTAL STRUCTURE OF ORNITHINE 4,5 AMINOMUTASE IN COMPLEX WI DIAMINOBUTYRATE (ANAEROBIC) CLOSTRIDIUM STICKLANDII D-ORNITHINE 4 5 AMINOMUTASE (OAM) 2 4-DIAMINOBUTYRATE (DACOMPLEX ANAEROBIC METAL BINDING PROTEIN
Ref.: LARGE-SCALE DOMAIN DYNAMICS AND ADENOSYLCOBALAMIN REORIENTATION ORCHESTRATE RADICAL CATALYSIS IN ORNI 4,5-AMINOMUTASE. J.BIOL.CHEM. V. 285 13942 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5AD A:1500;
B:1500;
C:1500;
D:1500;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
251.242 C10 H13 N5 O3 C[C@@...
B12 A:1801;
B:1801;
C:1801;
D:1801;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
1330.36 C62 H89 Co N13 O14 P Cc1cc...
Z98 A:767;
B:767;
C:767;
D:767;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
347.261 C12 H18 N3 O7 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KOX 2.4 Å EC: 5.-.-.- CRYSTAL STRUCTURE OF ORNITHINE 4,5 AMINOMUTASE IN COMPLEX WI DIAMINOBUTYRATE (ANAEROBIC) CLOSTRIDIUM STICKLANDII D-ORNITHINE 4 5 AMINOMUTASE (OAM) 2 4-DIAMINOBUTYRATE (DACOMPLEX ANAEROBIC METAL BINDING PROTEIN
Ref.: LARGE-SCALE DOMAIN DYNAMICS AND ADENOSYLCOBALAMIN REORIENTATION ORCHESTRATE RADICAL CATALYSIS IN ORNI 4,5-AMINOMUTASE. J.BIOL.CHEM. V. 285 13942 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 3KOX - Z98 C12 H18 N3 O7 P Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 3KOX - Z98 C12 H18 N3 O7 P Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3KOX - Z98 C12 H18 N3 O7 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: Z98; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 Z98 1 1
2 LLP 0.767123 0.95082
3 PL5 0.653846 0.933333
4 EXT 0.642857 0.866667
5 0JO 0.625 0.809524
6 P3D 0.621622 0.857143
7 KOU 0.608108 0.83871
8 4LM 0.60274 0.793651
9 PL6 0.597403 0.883333
10 EPC 0.561644 0.8
11 PUS 0.554217 0.823529
12 5DK 0.552941 0.904762
13 PFM 0.55 0.868852
14 PLP 0.537313 0.75
15 PLP ABU 0.530864 0.806452
16 PLP PUT 0.525 0.758065
17 P89 0.523256 0.753623
18 MPM 0.512821 0.790323
19 PZP 0.507246 0.783333
20 AN7 0.5 0.754098
21 HCP 0.5 0.78125
22 6DF 0.5 0.758065
23 FOO 0.493506 0.85
24 PLT 0.478723 0.8
25 PL4 0.477273 0.861538
26 O1G 0.430108 0.761194
27 ORX 0.426966 0.861538
28 PE1 0.422222 0.861538
29 PDD 0.421687 0.8
30 PP3 0.421687 0.8
31 PDA 0.421687 0.8
32 QLP 0.420455 0.823529
33 PY5 0.418605 0.820895
34 PY6 0.41573 0.797101
35 PLP PHE 0.414894 0.774194
36 TLP 0.411765 0.8
37 PLS 0.411765 0.84375
38 2BK 0.411765 0.8
39 2BO 0.411765 0.8
40 EA5 0.411111 0.835821
41 N5F 0.411111 0.833333
42 PDG 0.409091 0.846154
43 PGU 0.409091 0.846154
44 ILP 0.409091 0.776119
45 7XF 0.409091 0.846154
46 PLR 0.408451 0.704918
47 C6P 0.406977 0.84375
48 PPD 0.406977 0.84375
49 P1T 0.404762 0.80597
50 P0P 0.4 0.721311
51 76U 0.4 0.80597
52 PMP 0.4 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3kox.bio3) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found: 17
This union binding pocket(no: 2) in the query (biounit: 3kox.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4NZ6 DGL 0.0292 0.40031 3.30579
2 4WEI GLC GAL 0.005381 0.4441 3.61011
3 2W58 ADP 0.02359 0.41113 4.13223
4 4AVB CMP 0.01056 0.40847 4.13223
5 1O68 KIV 0.01919 0.40817 4.95868
6 4ISS TAR 0.02358 0.4081 4.95868
7 1QXA GLY GLY GLY 0.0002463 0.5142 5.78512
8 5HJQ I3P 0.02344 0.40303 6.61157
9 4JAW GAL NGT 0.008776 0.41645 7.43802
10 4JAW NGT GAL 0.0117 0.40257 7.43802
11 3F9W SAH 0.01088 0.41622 8.43373
12 5EYP GDP 0.0105 0.40206 9.09091
13 2Q1A 2KT 0.02003 0.40707 9.89761
14 1M3U KPL 0.02207 0.40085 10.2273
15 2ZWS PLM 0.004771 0.42585 13.2231
16 3CH6 NAP 0.03754 0.40358 13.2231
17 2CXG GLC GLC 0.02028 0.40758 15.7025
Pocket No.: 3; Query (leader) PDB : 3KOX; Ligand: Z98; 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: 3kox.bio5) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3KOX; Ligand: Z98; 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: 3kox.bio5) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3kox.bio5) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3kox.bio5) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found: 3
This union binding pocket(no: 7) in the query (biounit: 3kox.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2AGC DAO 0.01752 0.40412 10.7438
2 2VDJ HSE 0.02105 0.40298 13.9535
3 4CPA GLY 0.04323 0.40081 31.5789
Pocket No.: 8; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3kox.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3kox.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3kox.bio6) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3kox.bio6) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found: 3
This union binding pocket(no: 12) in the query (biounit: 3kox.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MFL MFK 0.02807 0.40069 5.78512
2 2X2T GAL NGA 0.02989 0.40148 7.84314
3 5X20 NAD 0.01416 0.40306 15.7025
Pocket No.: 13; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found: 4
This union binding pocket(no: 13) in the query (biounit: 3kox.bio4) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2OVW CBI 0.01729 0.40062 3.30579
2 3RYC GTP 0.01455 0.40901 9.91736
3 1Q9I TEO 0.04963 0.40312 18.1818
4 4IP7 FLC 0.005721 0.4292 23.1405
Feedback