Receptor
PDB id Resolution Class Description Source Keywords
3WWX 1.49 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF D-STEREOSPECIFIC AMIDOHYDROLASE FROM ST SP. 82F2 STREPTOMYCES SP. 82F2 AMIDOHYDROLASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF D-STEREOSPECIFIC AMIDOHYDROLAS STREPTOMYCES SP. 82F2: INSIGHT INTO THE STRUCTURAL FOR SUBSTRATE SPECIFICITY FEBS J. 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DIA A:401;
Valid;
none;
submit data
144.258 C8 H20 N2 C(CCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WWX 1.49 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF D-STEREOSPECIFIC AMIDOHYDROLASE FROM ST SP. 82F2 STREPTOMYCES SP. 82F2 AMIDOHYDROLASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF D-STEREOSPECIFIC AMIDOHYDROLAS STREPTOMYCES SP. 82F2: INSIGHT INTO THE STRUCTURAL FOR SUBSTRATE SPECIFICITY FEBS J. 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 3WWX - DIA C8 H20 N2 C(CCCCN)CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 3WWX - DIA C8 H20 N2 C(CCCCN)CC....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1IKI - REY C12 H21 N3 O6 C[C@H](C(=....
2 1HVB - CEH C32 H42 N6 O13 S C[C@H](C(=....
3 1PW1 - HEL C17 H25 N4 O7 S CC1([C@@H]....
4 1YQS - BSA C9 H11 N O4 S c1ccc(cc1)....
5 1IKG - REX C15 H26 N4 O7 C[C@H](C(=....
6 3WWX - DIA C8 H20 N2 C(CCCCN)CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DIA; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 DIA 1 1
2 16D 0.909091 1
3 N2P 0.75 0.95
4 PUT 0.583333 0.9
5 13D 0.5 0.727273
6 8AC 0.458333 0.666667
7 011 0.416667 0.666667
8 AML 0.411765 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WWX; Ligand: DIA; 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: 3wwx.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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