Receptor
PDB id Resolution Class Description Source Keywords
1YQS 1.05 Å EC: 3.4.16.4 INHIBITION OF THE R61 DD-PEPTIDASE BY N-BENZOYL-BETA-SULTAM STREPTOMYCES SP. CELL WELL BIOSYNTHESIS BETA-LACTAM BETA-SULTAM PEPTIDASESULFONYLATION HYDROLASE
Ref.: INACTIVATION OF BACTERIAL DD-PEPTIDASE BY BETA-SULT BIOCHEMISTRY V. 44 7738 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BSA A:400;
A:401;
Valid;
Valid;
none;
none;
submit data
229.253 C9 H11 N O4 S c1ccc...
GOL A:500;
A:502;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YQS 1.05 Å EC: 3.4.16.4 INHIBITION OF THE R61 DD-PEPTIDASE BY N-BENZOYL-BETA-SULTAM STREPTOMYCES SP. CELL WELL BIOSYNTHESIS BETA-LACTAM BETA-SULTAM PEPTIDASESULFONYLATION HYDROLASE
Ref.: INACTIVATION OF BACTERIAL DD-PEPTIDASE BY BETA-SULT BIOCHEMISTRY V. 44 7738 2005
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 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(=....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 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(=....
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: BSA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BSA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YQS; Ligand: BSA; 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: 1yqs.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1YQS; Ligand: BSA; 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: 1yqs.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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