Receptor
PDB id Resolution Class Description Source Keywords
3D5Z 1.9 Å EC: 3.2.1.99 CRYSTAL STRUCTURE ANALYSIS OF 1,5-ALPHA-ARABINANASE CATALYTI (ABNBE201A) COMPLEXED TO ARABINOTRIOSE GEOBACILLUS STEAROTHERMOPHILUS ARABINANASE GLYCOSYL HYDROLASE BETA-PROPELLER GEOBACILLUSSTEAROTHERMOPHILUS HYDROLASE
Ref.: CRYSTAL STRUCTURE OF AN INVERTING GH 43 1,5-ALPHA-L-ARABINANASE FROM GEOBACILLUS STEAROTHER COMPLEXED WITH ITS SUBSTRATE BIOCHEM.J. V. 422 73 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:400;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
FUB AHR AHR A:402;
Valid;
none;
submit data
414.36 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
Ligand no: 1; Ligand: FUB AHR AHR; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 FUB AHR AHR 1 1
2 AHR AHR AHR AHR AHR AHR 1 1
3 AHR AHR 0.923077 1
4 FUB AHR 0.923077 1
5 MAN MAN MAN 0.744681 0.857143
6 BMA MAN MAN 0.744681 0.857143
7 GLC GLC GLC 0.744681 0.857143
8 GLC GLC GLC GLC BGC 0.744681 0.857143
9 GLC GLC GLC GLC GLC BGC 0.744681 0.857143
10 GLC BGC 0.702128 0.857143
11 MAN MAN 0.702128 0.857143
12 GLA GLC 0.702128 0.857143
13 BMA MAN 0.702128 0.857143
14 BGC GLC 0.702128 0.857143
15 GLC GLC 0.702128 0.857143
16 GLA BGC 0.702128 0.857143
17 MAN BMA 0.702128 0.857143
18 MLB 0.702128 0.857143
19 GAL GAL 0.702128 0.857143
20 GLA BMA 0.702128 0.857143
21 BGC GLA 0.702128 0.857143
22 GAL GLC 0.702128 0.857143
23 BMA GLA 0.702128 0.857143
24 LAK 0.702128 0.857143
25 AHR AHR AHR 0.634615 0.939394
26 MAN MAN MAN MAN 0.583333 0.857143
27 MAN MAN BMA MAN 0.583333 0.857143
28 6LW AHR 0.568627 0.653061
29 MAN MMA 0.557692 0.810811
30 MAN BMA MAN 0.551724 0.857143
31 GLC GLC GLC BGC 0.548387 0.857143
32 MAN BMA MAN MAN MAN 0.52381 0.857143
33 M5S 0.52381 0.857143
34 MAN MAN MAN BMA MAN 0.478261 0.857143
35 BMA BMA GLA BMA BMA 0.469697 0.857143
36 MAN MAN MAN MAN MAN MAN MAN 0.465753 0.857143
37 MAN MMA MAN 0.460317 0.810811
38 STW 0.454545 0.864865
39 EDG AHR 0.454545 0.673913
40 Z6J 0.45 0.875
41 AHR 0.45 0.875
42 RIB 0.45 0.875
43 32O 0.45 0.875
44 FUB 0.45 0.875
45 RAF 0.439394 0.864865
46 MAN MAN MAN BMA MAN MAN MAN 0.417722 0.810811
47 BMA MAN MAN MAN MAN 0.414286 0.857143
48 GLA GAL 0.410714 0.857143
49 B2G 0.410714 0.857143
50 N9S 0.410714 0.857143
51 LAT 0.410714 0.857143
52 MAB 0.410714 0.857143
53 CBK 0.410714 0.857143
54 MAL 0.410714 0.857143
55 LBT 0.410714 0.857143
56 BMA GAL 0.410714 0.857143
57 BGC BMA 0.410714 0.857143
58 GLC GAL 0.410714 0.857143
59 GAL BGC 0.410714 0.857143
60 GLA GLA 0.410714 0.857143
61 CBI 0.410714 0.857143
62 BGC GAL 0.410714 0.857143
63 4CQ 0.40625 0.833333
64 WZ2 0.405797 0.75
65 NAG MAN MAN 0.405405 0.638298
66 SUC GLA 0.402778 0.864865
67 GAL 0.4 0.764706
68 WOO 0.4 0.764706
69 BMA 0.4 0.764706
70 BGC 0.4 0.764706
71 GLC 0.4 0.764706
72 MAN 0.4 0.764706
73 GXL 0.4 0.764706
74 ALL 0.4 0.764706
75 GIV 0.4 0.764706
76 GLA 0.4 0.764706
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
APoc FAQ
Feedback