Receptor
PDB id Resolution Class Description Source Keywords
1T0S 2.2 Å EC: 1.-.-.- STRUCTURE OF THE TOLUENE/O-XYLENE MONOOXYGENASE HYDROXYLASE BROMOPHENOL BOUND PSEUDOMONAS STUTZERI DIIRON 4-BROMOPHENOL CHANNEL 4-HELIX BUNDLE CARBOXYLATE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE TOLUENE/O-XYLENE MONOOXYGE HYDROXYLASE FROM PSEUDOMONAS STUTZERI OX1: INSIGHT SUBSTRATE SPECIFICITY, SUBSTRATE CHANNELING, AND AC TUNING OF MULTICOMPONENT MONOOXYGENASES. J.BIOL.CHEM. V. 279 30600 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BML A:503;
A:504;
A:505;
A:506;
B:331;
B:332;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
173.007 C6 H5 Br O c1cc(...
FE A:499;
A:500;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+3...
MCR A:502;
Invalid;
none;
submit data
92.117 C2 H4 O2 S C(C(=...
OH A:501;
Invalid;
none;
submit data
17.007 H O [OH-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1T0S 2.2 Å EC: 1.-.-.- STRUCTURE OF THE TOLUENE/O-XYLENE MONOOXYGENASE HYDROXYLASE BROMOPHENOL BOUND PSEUDOMONAS STUTZERI DIIRON 4-BROMOPHENOL CHANNEL 4-HELIX BUNDLE CARBOXYLATE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE TOLUENE/O-XYLENE MONOOXYGE HYDROXYLASE FROM PSEUDOMONAS STUTZERI OX1: INSIGHT SUBSTRATE SPECIFICITY, SUBSTRATE CHANNELING, AND AC TUNING OF MULTICOMPONENT MONOOXYGENASES. J.BIOL.CHEM. V. 279 30600 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 1T0S - BML C6 H5 Br O c1cc(ccc1O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1T0S - BML C6 H5 Br O c1cc(ccc1O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3RMK - BML C6 H5 Br O c1cc(ccc1O....
2 5TDS - MBN C7 H8 Cc1ccccc1
3 1T0S - BML C6 H5 Br O c1cc(ccc1O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BML; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BML 1 1
2 HQE 0.529412 0.647059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1T0S; Ligand: BML; 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: 1t0s.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1T0S; Ligand: BML; 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: 1t0s.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1T0S; Ligand: BML; 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: 1t0s.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1T0S; Ligand: BML; 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: 1t0s.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1t0s.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1t0s.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1t0s.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1t0s.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1t0s.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1t0s.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1t0s.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1t0s.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1t0s.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1t0s.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 1t0s.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 1t0s.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 1t0s.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 1T0S; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 1t0s.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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