Receptor
PDB id Resolution Class Description Source Keywords
1O9O 2.3 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE S131A MUTANT OF MALONAMIDASE E2 COMPLEXED WITH MALONAMATE FROM BRADYRHIZOBIUM JAPONICUM BRADYRHIZOBIUM JAPONICUM AMIDASE MALONAMIDASE MUTANT MALONAMATE
Ref.: CHARACTERIZATION OF A NOVEL SER-CISSER-LYS CATALYTIC TRIAD IN COMPARISON WITH THE CLASSICAL SER-HIS-ASP TRIAD J.BIOL.CHEM. V. 278 24937 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLM A:501;
B:501;
Valid;
Valid;
none;
none;
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103.077 C3 H5 N O3 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O9P 1.8 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE S131A MUTANT OF MALONAMIDASE E2 COMPLEXED WITH MALONATE FROM BRADYRHIZOBIUM JAPONICUM BRADYRHIZOBIUM JAPONICUM AMIDASE MALONATE MALONAMIDASE HYDROLASE
Ref.: CHARACTERIZATION OF A NOVEL SER-CISSER-LYS CATALYTIC TRIAD IN COMPARISON WITH THE CLASSICAL SER-HIS-ASP TRIAD J.BIOL.CHEM. V. 278 24937 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 1OBL - MLA C3 H4 O4 C(C(=O)O)C....
2 1O9O - MLM C3 H5 N O3 C(C(=O)N)C....
3 1OCL - MLA C3 H4 O4 C(C(=O)O)C....
4 1O9P - MLA C3 H4 O4 C(C(=O)O)C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 1OBL - MLA C3 H4 O4 C(C(=O)O)C....
2 1O9O - MLM C3 H5 N O3 C(C(=O)N)C....
3 1OCL - MLA C3 H4 O4 C(C(=O)O)C....
4 1O9P - MLA C3 H4 O4 C(C(=O)O)C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 1OBL - MLA C3 H4 O4 C(C(=O)O)C....
2 1O9O - MLM C3 H5 N O3 C(C(=O)N)C....
3 1OCL - MLA C3 H4 O4 C(C(=O)O)C....
4 1O9P - MLA C3 H4 O4 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLM; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 MLM 1 1
2 OXM 0.466667 0.607143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O9P; Ligand: MLA; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 1o9p.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5M67 3D1 0.04271 0.41482 1.44928
2 3PNQ 2HA 0.006839 0.40317 1.68067
3 3OND ADN 0.0288 0.42353 2.17391
4 1PJS SAH 0.01301 0.41234 2.41546
5 4FBL SPD 0.005929 0.41387 2.84698
6 5DN9 NAD 0.02209 0.41702 3.57143
7 4ETZ C2E 0.01163 0.40179 3.7037
8 3QXV MTX 0.01487 0.40178 3.96825
9 2GCE RFC 0.04981 0.40651 4.16667
10 5UAO FAD 0.04457 0.40571 4.34783
11 3EYA FAD 0.04238 0.40404 4.34783
12 3I9U DTU 0.01525 0.40764 4.56274
13 2AJ4 GLA 0.0132 0.4018 4.58937
14 4Q4K FMN 0.01398 0.41864 5.04202
15 4YNU FAD 0.04111 0.41271 5.07246
16 2V3A FAD 0.03428 0.41187 5.07246
17 1NVM NAD 0.005911 0.44709 5.21739
18 2ZA5 2FF 0.02372 0.40545 5.30612
19 3V2U GLA 0.004688 0.40522 6.28019
20 1NLU IVA PHI TYB 0.01292 0.40883 8.9372
21 4ISS TAR 0.0000003021 0.64641 19.8068
22 3A2Q ACA ACA 0.0001113 0.44139 21.9807
23 5H6S HDH 0.00001013 0.566 27.5362
24 4GYS MLI 0.00001078 0.53204 39.372
25 4CP8 MLI 0.000002168 0.59457 40.5797
26 3A1I UNU 0.000001049 0.57379 44.9275
27 4YJI TYL 0.0000325 0.53395 46.1353
28 1M21 PHE CSI LEU PHA 0.00007416 0.43653 48.0676
Pocket No.: 2; Query (leader) PDB : 1O9P; Ligand: MLA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1o9p.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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