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 218 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 176 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 143 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: 45
This union binding pocket(no: 1) in the query (biounit: 1fiw.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2POC UD1 0.01293 0.40021 1.72414
2 4LEB THR THR THR THR THR THR THR 0.01482 0.4071 2.75862
3 1O6B ADP 0.01112 0.40337 2.95858
4 2EUG URA 0.006766 0.4024 3.05677
5 3QDV NDG 0.02593 0.40143 3.4965
6 1UI0 URA 0.01438 0.40484 4.39024
7 3HNB 768 0.0008931 0.41582 4.40252
8 3WH2 FLC 0.02284 0.40791 4.7619
9 4LZB URA 0.02014 0.40371 5.04202
10 2XYA 7L4 0.0003943 0.47529 6.04396
11 1RDL MMA 0.002979 0.45894 6.19469
12 1SZ2 BGC 0.01188 0.40655 7.93103
13 1HPG BOC ALA ALA PRO GLU 0.001025 0.43852 10.6952
14 4YGM URA 0.01299 0.41548 11.5385
15 3P7G MAN 0.0203 0.40376 31.8182
16 1D9I 00P 0.000000000394 0.57198 44.0972
17 1SL3 170 0.000000000187 0.5998 44.2509
18 1YGC 905 0.0000000005862 0.61623 46.4567
19 2EC9 24X 0.000000002539 0.54119 46.4567
20 2B7D C1B 0.00000000007317 0.51487 46.4567
21 5L2Z 70C 0.000000000531 0.48411 46.4567
22 2AIQ BEN 0.0000000006576 0.76364 46.7532
23 2PKA BEN 0.000000001287 0.76042 47.3684
24 4D8N 0HM 0.00000002445 0.56543 47.5336
25 1GJC 130 0.00000000002408 0.55318 48.2213
26 1ETS MID 0.0000000001554 0.63346 48.2625
27 1O0D 163 0.00000000004648 0.68765 49.0347
28 2FES 3SP 0.0000000001209 0.67415 49.0347
29 2FEQ 34P 0.000000000151 0.67087 49.0347
30 1NZQ 162 0.0000000002512 0.66339 49.0347
31 2A2X NA9 0.00000000007826 0.66027 49.0347
32 2ANK N12 0.0000000001206 0.65453 49.0347
33 1TMT DPN PRO ARG 0.000000000146 0.65192 49.0347
34 1C4V IH2 0.0000000002172 0.65188 49.0347
35 1OYT FSN 0.000000008653 0.64034 49.0347
36 3VXE DPN PRO ARG 0.0000000001647 0.63255 49.0347
37 3UTU 1TS 0.00000000001085 0.52396 49.0347
38 5FAH 5VT 0.000000008925 0.5743 49.1071
39 4NFE BEN 0.000000002729 0.74387 49.3671
40 2CN0 F25 0.000000001765 0.65029 49.4163
41 1D3D BZT 0.000000001968 0.5872 49.4163
42 2ANM CDO 0.0000000001681 0.57406 49.4163
43 1EB1 ZAL PRO MMO 0.000000001727 0.50218 49.4163
44 1BHX R56 0.00000000007775 0.68049 49.5238
45 1RIW OSC 0.00000000006977 0.64393 49.5238
Pocket No.: 2; Query (leader) PDB : 1FIW; Ligand: PBZ; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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