Receptor
PDB id Resolution Class Description Source Keywords
2Q3M 1.9 Å EC: 2.8.2.- ENSEMBLE REFINEMENT OF THE PROTEIN CRYSTAL STRUCTURE OF AN A THALIANA PUTATIVE STEROID SULPHOTRANSFERASE ARABIDOPSIS THALIANA ENSEMBLE REFINEMENT REFINEMENT METHODOLOGY DEVELOPMENT STESULPHOTRANSFERASE APO STRUCTURAL GENOMICS PROTEIN STRUCTINITIATIVE PSI CENTER FOR EUKARYOTIC STRUCTURAL GENOMICSTRANSFERASE
Ref.: ENSEMBLE REFINEMENT OF PROTEIN CRYSTAL STRUCTURES: VALIDATION AND APPLICATION. STRUCTURE V. 15 1040 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLA A:901;
Valid;
none;
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104.061 C3 H4 O4 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Q3M 1.9 Å EC: 2.8.2.- ENSEMBLE REFINEMENT OF THE PROTEIN CRYSTAL STRUCTURE OF AN A THALIANA PUTATIVE STEROID SULPHOTRANSFERASE ARABIDOPSIS THALIANA ENSEMBLE REFINEMENT REFINEMENT METHODOLOGY DEVELOPMENT STESULPHOTRANSFERASE APO STRUCTURAL GENOMICS PROTEIN STRUCTINITIATIVE PSI CENTER FOR EUKARYOTIC STRUCTURAL GENOMICSTRANSFERASE
Ref.: ENSEMBLE REFINEMENT OF PROTEIN CRYSTAL STRUCTURES: VALIDATION AND APPLICATION. STRUCTURE V. 15 1040 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2Q3M - MLA C3 H4 O4 C(C(=O)O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2Q3M - MLA C3 H4 O4 C(C(=O)O)C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5MEK - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
2 5MEX - SZZ C10 H17 N O9 S2 C=CC/C(=NO....
3 2Q3M - MLA C3 H4 O4 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLA; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 MLA 1 1
2 AAE 0.6 0.631579
3 3OH 0.533333 0.619048
4 SIN 0.5 0.722222
5 98J 0.428571 0.608696
6 GUA 0.411765 0.65
7 0L1 0.411765 0.619048
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Q3M; Ligand: MLA; 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: 2q3m.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2Q3M; Ligand: MLA; 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: 2q3m.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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