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 30 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 29 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 21 families.
1 3KOX - Z98 C12 H18 N3 O7 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: Z98; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 Z98 1 1
2 PL5 0.653846 0.933333
3 EXT 0.642857 0.866667
4 0JO 0.625 0.809524
5 P3D 0.621622 0.857143
6 F0G 0.616438 0.833333
7 KOU 0.608108 0.83871
8 4LM 0.60274 0.793651
9 PL6 0.597403 0.883333
10 FEJ 0.56962 0.793651
11 FEV 0.565789 0.78125
12 EPC 0.561644 0.8
13 EVM 0.558442 0.825397
14 PUS 0.554217 0.823529
15 EQJ 0.552941 0.904762
16 5DK 0.552941 0.904762
17 PFM 0.55 0.868852
18 PLP 0.537313 0.75
19 P70 0.535714 0.836066
20 PLP ABU 0.530864 0.806452
21 P89 0.523256 0.753623
22 Q0P 0.522222 0.828125
23 MPM 0.512821 0.790323
24 GLY PLP 0.512821 0.786885
25 PZP 0.507246 0.783333
26 PLP PUT 0.506173 0.825397
27 AN7 0.5 0.754098
28 6DF 0.5 0.758065
29 HCP 0.5 0.78125
30 FOO 0.493506 0.85
31 LUH 0.483146 0.8
32 LUK 0.483146 0.8
33 PLT 0.478723 0.8
34 PL4 0.477273 0.861538
35 SER PLP 0.452381 0.790323
36 PLP ALO 0.447059 0.774194
37 PLP 999 0.44186 0.774194
38 O1G 0.430108 0.761194
39 ORX 0.426966 0.861538
40 PE1 0.422222 0.861538
41 PDD 0.421687 0.8
42 PP3 0.421687 0.8
43 PDA 0.421687 0.8
44 QLP 0.420455 0.823529
45 PY5 0.418605 0.820895
46 PY6 0.41573 0.797101
47 PLP PHE 0.414894 0.774194
48 PLS 0.411765 0.84375
49 2BO 0.411765 0.8
50 TLP 0.411765 0.8
51 2BK 0.411765 0.8
52 N5F 0.411111 0.833333
53 EA5 0.411111 0.835821
54 7XF 0.409091 0.846154
55 PGU 0.409091 0.846154
56 PDG 0.409091 0.846154
57 ILP 0.409091 0.776119
58 PLR 0.408451 0.704918
59 C6P 0.406977 0.84375
60 PPD 0.406977 0.84375
61 P1T 0.404762 0.80597
62 LPI 0.404494 0.785714
63 L7N 0.404494 0.733333
64 PMP 0.4 0.777778
65 CKT 0.4 0.828125
66 P0P 0.4 0.721311
67 76U 0.4 0.80597
Similar Ligands (3D)
Ligand no: 1; Ligand: Z98; Similar ligands found: 1
No: Ligand Similarity coefficient
1 2B9 0.8699
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KOX; Ligand: Z98; 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: 3kox.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3kox.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3kox.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3KOX; Ligand: Z98; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3kox.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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