Receptor
PDB id Resolution Class Description Source Keywords
6A8I 1.9 Å EC: 3.2.1.99 CRYSTAL STRUCTURE OF ENDO-ARABINANASE ABN-TS D147N MUTANT IN WITH ARABINOHEXAOSE GEOBACILLUS THERMODENITRIFICANS ARABINANASE THERMOSTABLE ENZYME GLYCOSIDE HYDROLASE GH43HYDROLASE
Ref.: STRUCTURES OF ENDO-1,5-ALPHA-L-ARABINANASE MUTANTS BACILLUS THERMODENITRIFICANS TS-3 IN COMPLEX WITH ARABINO-OLIGOSACCHARIDES. ACTA CRYSTALLOGR F STRUCT V. 74 774 2018 BIOL COMMUN
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:401;
A:401;
Invalid;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
AHR AHR AHR AHR AHR AHR C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
810.705 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6A8H 1.65 Å EC: 3.2.1.99 CRYSTAL STRUCTURE OF ENDO-ARABINANASE ABN-TS D27A MUTANT IN WITH ARABINOTRIOSE GEOBACILLUS THERMODENITRIFICANS ARABINANASE THERMOSTABLE ENZYME GLYCOSIDE HYDROLASE GH43HYDROLASE
Ref.: STRUCTURES OF ENDO-1,5-ALPHA-L-ARABINANASE MUTANTS BACILLUS THERMODENITRIFICANS TS-3 IN COMPLEX WITH ARABINO-OLIGOSACCHARIDES. ACTA CRYSTALLOGR F STRUCT V. 74 774 2018 BIOL COMMUN
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6A8I - AHR AHR AHR AHR AHR AHR n/a n/a
2 3D5Z - FUB AHR AHR n/a n/a
3 6A8H - AHR AHR AHR n/a n/a
4 3D61 - FUB AHR n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6A8I - AHR AHR AHR AHR AHR AHR n/a n/a
2 3D5Z - FUB AHR AHR n/a n/a
3 6A8H - AHR AHR AHR n/a n/a
4 3D61 - FUB AHR n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6A8I - AHR AHR AHR AHR AHR AHR n/a n/a
2 3D5Z - FUB AHR AHR n/a n/a
3 6A8H - AHR AHR AHR n/a n/a
4 3D61 - FUB AHR n/a n/a
5 1GYE - AHR AHR AHR AHR AHR AHR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AHR AHR AHR AHR AHR AHR; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 AHR AHR AHR AHR 1 1
2 AHR AHR AHR AHR AHR 1 1
3 AHR AHR AHR AHR AHR AHR 1 1
4 AHR AHR 0.923077 1
5 BGC GLC GLC GLC GLC 0.744681 0.857143
6 BGC GLC GLC GLC GLC GLC 0.744681 0.857143
7 AHR AHR AHR 0.634615 0.939394
8 BGC GLC GLC 0.586207 0.857143
9 6LW AHR 0.568627 0.653061
10 MMA MAN 0.557692 0.810811
11 BMA MAN MAN 0.551724 0.857143
12 GLC GLC GLC GLC GLC 0.548387 0.857143
13 BGC GLC GLC GLC 0.548387 0.857143
14 BGC BGC BGC BGC 0.507692 0.857143
15 GLC GLC GLC 0.484375 0.810811
16 GAL NAG 0.47619 0.638298
17 BMA BMA BMA BMA GLA 0.469697 0.857143
18 MAN MAN MAN MAN MAN MAN MAN 0.465753 0.857143
19 MMA MAN MAN 0.460317 0.810811
20 GLC FRU GLA GLA GLA 0.454545 0.864865
21 EDG AHR 0.454545 0.673913
22 GLC FRU GLA GLA 0.454545 0.864865
23 Z6J 0.45 0.875
24 FUB 0.45 0.875
25 32O 0.45 0.875
26 RIB 0.45 0.875
27 AHR 0.45 0.875
28 BDR 0.45 0.875
29 MAN MAN MAN 0.449275 0.833333
30 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.447761 0.857143
31 FRU GLC GLA 0.439394 0.864865
32 MAN MAN BMA 0.4375 0.810811
33 Z9N GLC 0.433333 0.864865
34 BMA MAN MAN MAN 0.428571 0.789474
35 H1M MAN MAN 0.42029 0.75
36 MAN BMA MAN MAN MAN MAN MAN 0.417722 0.810811
37 BMA MAN MAN MAN MAN 0.405405 0.810811
38 GLC FRU GLA 0.402778 0.864865
39 GLA 0.4 0.764706
40 BGC 0.4 0.764706
41 WOO 0.4 0.764706
42 BGC GAL 0.4 0.764706
43 GIV 0.4 0.764706
44 BMA 0.4 0.764706
45 ALL 0.4 0.764706
46 GLC GLC 0.4 0.764706
47 MAN 0.4 0.764706
48 GLC 0.4 0.764706
49 GAL GAL 0.4 0.764706
50 GXL 0.4 0.764706
51 GAL 0.4 0.764706
Similar Ligands (3D)
Ligand no: 1; Ligand: AHR AHR AHR AHR AHR AHR; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6A8H; Ligand: AHR AHR AHR; 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: 6a8h.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6A8H; Ligand: AHR AHR AHR; 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: 6a8h.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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