Receptor
PDB id Resolution Class Description Source Keywords
3D61 1.95 Å EC: 3.2.1.99 CRYSTAL STRUCTURE ANALYSIS OF 1,5-ALPHA-ARABINANASE CATALYTI (ABNBD147A) COMPLEXED TO ARABINOBIOSE 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 A:402;
Valid;
none;
submit data
282.245 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; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 FUB AHR 1 1
2 AHR AHR 1 1
3 FUB AHR AHR 0.923077 1
4 AHR AHR AHR AHR AHR AHR 0.923077 1
5 BMA MAN 0.75 0.857143
6 GAL GAL 0.75 0.857143
7 GLA BGC 0.75 0.857143
8 MLB 0.75 0.857143
9 GLA GLC 0.75 0.857143
10 MAN MAN 0.75 0.857143
11 BGC GLA 0.75 0.857143
12 LAK 0.75 0.857143
13 GLC BGC 0.75 0.857143
14 BMA GLA 0.75 0.857143
15 GLA BMA 0.75 0.857143
16 GAL GLC 0.75 0.857143
17 MAN BMA 0.75 0.857143
18 GLC GLC 0.75 0.857143
19 BGC GLC 0.75 0.857143
20 MAN MAN MAN 0.717391 0.857143
21 GLC GLC GLC 0.717391 0.857143
22 BMA MAN MAN 0.717391 0.857143
23 GLC GLC GLC GLC GLC BGC 0.717391 0.857143
24 GLC GLC GLC GLC BGC 0.717391 0.857143
25 6LW AHR 0.604167 0.653061
26 AHR AHR AHR 0.576923 0.939394
27 MAN MMA 0.56 0.810811
28 MAN MAN MAN MAN 0.559322 0.857143
29 MAN MAN BMA MAN 0.559322 0.857143
30 MAN BMA MAN 0.553571 0.857143
31 GLC GLC GLC BGC 0.52459 0.857143
32 M5S 0.5 0.857143
33 MAN BMA MAN MAN MAN 0.5 0.857143
34 FUB 0.486486 0.875
35 Z6J 0.486486 0.875
36 RIB 0.486486 0.875
37 32O 0.486486 0.875
38 AHR 0.486486 0.875
39 EDG AHR 0.480769 0.673913
40 BMA BMA GLA BMA BMA 0.46875 0.857143
41 MAN MMA MAN 0.459016 0.810811
42 MAN MAN MAN BMA MAN 0.455882 0.857143
43 RAF 0.4375 0.864865
44 STW 0.430769 0.864865
45 ALL 0.428571 0.764706
46 WOO 0.428571 0.764706
47 GLA 0.428571 0.764706
48 GIV 0.428571 0.764706
49 BMA 0.428571 0.764706
50 GXL 0.428571 0.764706
51 GAL 0.428571 0.764706
52 MAN 0.428571 0.764706
53 GLC 0.428571 0.764706
54 BGC 0.428571 0.764706
55 4CQ 0.42623 0.833333
56 MAN MAN MAN MAN MAN MAN MAN 0.424658 0.857143
57 WZ2 0.424242 0.75
58 BMA MAN MAN MAN MAN 0.411765 0.857143
59 GAL BGC 0.407407 0.857143
60 N9S 0.407407 0.857143
61 MAL 0.407407 0.857143
62 LAT 0.407407 0.857143
63 CBI 0.407407 0.857143
64 CBK 0.407407 0.857143
65 MAB 0.407407 0.857143
66 GLA GAL 0.407407 0.857143
67 GLA GLA 0.407407 0.857143
68 BMA GAL 0.407407 0.857143
69 LBT 0.407407 0.857143
70 GLC GAL 0.407407 0.857143
71 AFO 0.407407 0.756098
72 BGC BMA 0.407407 0.857143
73 BGC GAL 0.407407 0.857143
74 B2G 0.407407 0.857143
75 NOJ BGC 0.40678 0.604167
76 DMJ MAN 0.40678 0.604167
77 ABF 0.404255 0.690476
78 HSX 0.404255 0.690476
79 RP5 0.404255 0.690476
80 RGG 0.403846 0.8
81 NAG MAN MAN 0.402778 0.638298
82 IFM MAN 0.4 0.617021
83 SUC GLA 0.4 0.864865
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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