Receptor
PDB id Resolution Class Description Source Keywords
1FIW 2.1 Å EC: 3.-.-.- THREE-DIMENSIONAL STRUCTURE OF BETA-ACROSIN FROM RAM SPERMAT OVIS ARIES ANTI-PARALLEL BETA-BARREL HYDROLASE
Ref.: EFFECTOR SITES IN THE THREE-DIMENSIONAL STRUCTURE O MAMMALIAN SPERM BETA-ACROSIN. STRUCTURE FOLD.DES. V. 8 1179 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG FUL BMA MAN A:301;
Part of Protein;
none;
submit data n/a n/a n/a n/a
PBZ A:305;
A:306;
Valid;
Valid;
none;
none;
submit data
136.174 C7 H10 N3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FIW 2.1 Å EC: 3.-.-.- THREE-DIMENSIONAL STRUCTURE OF BETA-ACROSIN FROM RAM SPERMAT OVIS ARIES ANTI-PARALLEL BETA-BARREL HYDROLASE
Ref.: EFFECTOR SITES IN THE THREE-DIMENSIONAL STRUCTURE O MAMMALIAN SPERM BETA-ACROSIN. STRUCTURE FOLD.DES. V. 8 1179 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 1FIW - PBZ C7 H10 N3 c1cc(ccc1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1FIW - PBZ C7 H10 N3 c1cc(ccc1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 1FIW - PBZ C7 H10 N3 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PBZ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PBZ 1 1
2 BAM 0.428571 0.85
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FIW; Ligand: PBZ; Similar sites found with APoc: 21
This union binding pocket(no: 1) in the query (biounit: 1fiw.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1D9I 00P 44.0972
2 1SL3 170 44.2509
3 2B7D C1B 46.4567
4 5L2Z 70C 46.4567
5 2EC9 24X 46.4567
6 2PKA BEN 47.3684
7 1ETS MID 48.2625
8 1A2C 34H LEU PRJ OAR 49.0347
9 1O0D 163 49.0347
10 2ANK N12 49.0347
11 3VXE DPN PRO ARG 49.0347
12 1TMT DPN PRO ARG 49.0347
13 2FES 3SP 49.0347
14 2FEQ 34P 49.0347
15 1C4V IH2 49.0347
16 5FAH 5VT 49.1071
17 2ANM CDO 49.4163
18 4AX9 N5N 49.4163
19 1EB1 ZAL PRO MMO 49.4163
20 2CN0 F25 49.4163
21 1BHX R56 49.5238
Pocket No.: 2; Query (leader) PDB : 1FIW; Ligand: PBZ; 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: 1fiw.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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