Receptor
PDB id Resolution Class Description Source Keywords
1QW9 1.2 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF A FAMILY 51 ALPHA-L- ARABINOFURANOSIDASE IN COMPLEX WITH 4-NITROPHENYL-ARA GEOBACILLUS STEAROTHERMOPHILUS HYDROLASE
Ref.: CRYSTAL STRUCTURE AND SNAPSHOTS ALONG THE REACTION PATHWAY OF A FAMILY 51 ALPHA-L-ARABINOFURANOSIDASE EMBO J. V. 22 4922 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KHP A:1750;
B:1751;
Valid;
Valid;
none;
none;
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271.223 C11 H13 N O7 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QW9 1.2 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF A FAMILY 51 ALPHA-L- ARABINOFURANOSIDASE IN COMPLEX WITH 4-NITROPHENYL-ARA GEOBACILLUS STEAROTHERMOPHILUS HYDROLASE
Ref.: CRYSTAL STRUCTURE AND SNAPSHOTS ALONG THE REACTION PATHWAY OF A FAMILY 51 ALPHA-L-ARABINOFURANOSIDASE EMBO J. V. 22 4922 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1QW8 - KHO C10 H18 O9 C1[C@H]([C....
2 1QW9 - KHP C11 H13 N O7 c1cc(ccc1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1QW8 - KHO C10 H18 O9 C1[C@H]([C....
2 1QW9 - KHP C11 H13 N O7 c1cc(ccc1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2VRQ - XYP XYP AHR n/a n/a
2 3UG5 - XYP C5 H10 O5 C1[C@H]([C....
3 3UG4 - AHR C5 H10 O5 C([C@H]1[C....
4 1QW9 - KHP C11 H13 N O7 c1cc(ccc1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KHP; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 KHP 1 1
2 PNW 0.895833 0.924528
3 GAL NPO 0.895833 0.924528
4 PNA 0.895833 0.924528
5 NBZ GLA 0.895833 0.924528
6 PNG 0.895833 0.924528
7 147 0.895833 0.924528
8 MBE 0.895833 0.924528
9 PNJ 0.709091 0.844828
10 NGB 0.677419 0.890909
11 NPJ 0.677419 0.890909
12 RCB 0.65625 0.890909
13 NSQ 0.655172 0.681159
14 LEC 0.59375 0.777778
15 6ZC 0.59375 0.777778
16 GAA 0.583333 0.907407
17 C3G 0.55 0.763636
18 GAT 0.545455 0.654545
19 XTG 0.535211 0.8
20 NPO A2G GAL 0.534247 0.753846
21 GAL A2G NPO 0.534247 0.753846
22 3XN 0.527027 0.809524
23 LAM 0.5125 0.844828
24 6Y2 0.493506 0.742424
25 LEC NGA 0.493506 0.742424
26 M2F 0.463768 0.777778
27 NFG 0.463768 0.777778
28 145 0.461538 0.890909
29 NDG BDP BDP NPO NDG 0.44086 0.742424
30 GNS BDP GNS BDP GNS BDP NPO 0.44086 0.644737
31 XYS XYS NPO 0.422535 0.839286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QW9; Ligand: KHP; 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: 1qw9.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1QW9; Ligand: KHP; 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: 1qw9.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1QW9; Ligand: KHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1qw9.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1QW9; Ligand: KHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1qw9.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1QW9; Ligand: KHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1qw9.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1QW9; Ligand: KHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1qw9.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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