Receptor
PDB id Resolution Class Description Source Keywords
1QW8 1.8 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF A FAMILY 51 ALPHA-L- ARABINOFURANOSIDASE IN COMPLEX WITH ARA-ALPHA(1,3)-XYL 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
KHO A:950;
B:951;
Valid;
Valid;
none;
none;
submit data
282.245 C10 H18 O9 C1[C@...
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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 (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1QW8 - KHO C10 H18 O9 C1[C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KHO; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 KHO 1 1
2 AHR XYP XYP 0.590164 0.972222
3 XYP XYP AHR 0.590164 0.972222
4 XYS XYP AHR 0.590164 0.972222
5 BGC BGC 0.527273 0.864865
6 BMA BMA 0.527273 0.864865
7 AHR XYS XYS 0.515625 0.972222
8 FUC NAG GLA GAL 0.513158 0.673469
9 AHR XYS XYP XYP XYP 0.478261 0.972222
10 AHR XYP XYP XYP 0.471429 0.972222
11 GLC DMJ 0.466667 0.666667
12 RZM 0.45614 0.772727
13 NGR 0.446429 0.888889
14 LB2 0.446429 0.888889
15 M3M 0.446429 0.888889
16 MAN GLC 0.446429 0.888889
17 XYP AHR XYP XYP 0.444444 0.972222
18 XYP XYP XYP AHR 0.444444 0.972222
19 XYS XYP AHR XYP 0.444444 0.972222
20 BQZ 0.442308 0.805556
21 TRE 0.4375 0.888889
22 GLC GLC XYP 0.432836 0.888889
23 2M4 0.428571 0.888889
24 IFM BGC 0.42623 0.680851
25 BMA IFM 0.42623 0.680851
26 IFM BMA 0.42623 0.680851
27 DOM 0.423729 0.891892
28 CBI 0.421053 0.888889
29 LAT 0.421053 0.888889
30 CBK 0.421053 0.888889
31 MAB 0.421053 0.888889
32 N9S 0.421053 0.888889
33 B2G 0.421053 0.888889
34 MAL 0.421053 0.888889
35 BGC BMA 0.421053 0.888889
36 GLC GAL 0.421053 0.888889
37 GLA GAL 0.421053 0.888889
38 BGC GAL 0.421053 0.888889
39 GLA GLA 0.421053 0.888889
40 BMA GAL 0.421053 0.888889
41 GAL BGC 0.421053 0.888889
42 LBT 0.421053 0.888889
43 NOJ GLC 0.419355 0.666667
44 GAL NAG GAL 0.413333 0.673469
45 5QP 0.409836 0.837838
46 GLC BGC BGC BGC BGC BGC BGC 0.409836 0.888889
47 BGC BGC BGC GLC BGC BGC 0.409836 0.888889
48 GLA MBG 0.403509 0.842105
49 LAT GLA 0.403509 0.888889
50 BGC OXZ 0.403226 0.64
51 9MR 0.403226 0.711111
52 NAG BMA 0.402985 0.627451
53 G2F BGC BGC BGC BGC BGC 0.402985 0.780488
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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