Receptor
PDB id Resolution Class Description Source Keywords
1QH9 2.5 Å EC: 3.8.1.2 ENZYME-PRODUCT COMPLEX OF L-2-HALOACID DEHALOGENASE PSEUDOMONAS SP. DEHALOGENASE ENZYME-PRODUCT COMPLEX HYDROLASE
Ref.: THE STRUCTURE OF L-2-HALOACID DEHALOGENASE COMPLEXE REACTION PRODUCT REVEALS THE MECHANISM OF INTERMEDI HYDROLYSIS IN DEHALOGENASE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LAC A:300;
Valid;
none;
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90.078 C3 H6 O3 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QH9 2.5 Å EC: 3.8.1.2 ENZYME-PRODUCT COMPLEX OF L-2-HALOACID DEHALOGENASE PSEUDOMONAS SP. DEHALOGENASE ENZYME-PRODUCT COMPLEX HYDROLASE
Ref.: THE STRUCTURE OF L-2-HALOACID DEHALOGENASE COMPLEXE REACTION PRODUCT REVEALS THE MECHANISM OF INTERMEDI HYDROLYSIS IN DEHALOGENASE TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1QH9 - LAC C3 H6 O3 C[C@H](C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1QH9 - LAC C3 H6 O3 C[C@H](C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1QH9 - LAC C3 H6 O3 C[C@H](C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LAC; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 LAC 1 1
2 2OP 1 1
3 HBS 0.6 0.615385
4 HBR 0.6 0.615385
5 2RH 0.5 0.631579
6 TAR 0.5 0.611111
7 TLA 0.5 0.611111
8 SRT 0.5 0.611111
9 IPM 0.47619 0.631579
10 KIV 0.444444 0.625
11 LFC 0.434783 0.8
12 23B 0.428571 0.631579
13 QFH 0.428571 0.631579
14 WTZ 0.428571 0.631579
15 RAT 0.421053 0.611111
16 LGT 0.421053 0.611111
17 GAE 0.421053 0.611111
18 3LR 0.4 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QH9; Ligand: LAC; 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: 1qh9.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1QH9; Ligand: LAC; 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: 1qh9.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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