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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: 53
This union binding pocket(no: 1) in the query (biounit: 6a8h.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5CGE 51F 1.08303
2 3BIB PSF 1.72414
3 1JI0 ATP 2.08333
4 4O8O AHR 2.18069
5 6CAM BGC 2.49221
6 4AG5 ADP 2.49221
7 2AWN ADP 2.49221
8 5YW5 ADE 2.7933
9 2NCD ADP 2.80374
10 4TO8 FLC 3.08219
11 3VSS FRU 3.11526
12 4W6Z ETF 3.11526
13 1R0X ATP 3.14685
14 4N2R AHR 3.42679
15 4N2R FUB 3.42679
16 3G58 988 3.42679
17 5H4S RAM 3.52113
18 4YHY M3L 3.72093
19 4YMU ATP 3.75
20 4M8D 23J 3.80228
21 5ZXD ATP 3.84615
22 3ZGJ RMN 4.04313
23 1J71 THR ILE THR SER 4.04984
24 3HQP OXL 4.04984
25 5M0T AKG 4.08163
26 1MRH FMC 4.18251
27 1JJ7 ADP 4.23077
28 2Z49 AMG 4.6729
29 4IPN 1FT 4.6729
30 3WN0 FUB 5.02283
31 2PZE ATP 5.24017
32 3AKI AH8 5.29595
33 6F1J EDG 5.29595
34 1GQ2 OXL 5.29595
35 6EV2 BGC 5.40541
36 5XQW 8EU 5.52995
37 2WD7 VGD 5.59701
38 4UNR QZE 6.19048
39 2WHX ADP 6.54206
40 1G6H ADP 6.61479
41 1B0U ATP 7.25191
42 3H4S ADP 8.72274
43 3N29 NSD 9.03427
44 2W58 ADP 10.396
45 43CA NPO 10.6195
46 2QEH SRO 11.0345
47 3ALT MLB 11.465
48 1MFA GLA MMA ABE 11.811
49 5ZQS BXP 26.7913
50 2EXK XYS XYS 28.6604
51 5Z5I XYS 30.2181
52 5Z5I FUB 30.2181
53 5JOX EDG 38.9408
Pocket No.: 2; Query (leader) PDB : 6A8H; Ligand: AHR AHR AHR; Similar sites found with APoc: 30
This union binding pocket(no: 2) in the query (biounit: 6a8h.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 6APF CIT 1.06762
3 3T01 PPF 2.18069
4 1QPR PHT 2.46479
5 3PDB OAA 2.49221
6 3CL7 HYN 2.5974
7 1QFT HSM 2.85714
8 4RKK GLC GLC GLC GLC GLC GLC 3.11526
9 4UDK BMA 3.11526
10 6I6R H62 3.11526
11 3RLB VIB 3.125
12 4RQL SNE 3.42679
13 2ADD SUC 3.42679
14 4MZU TYD 3.84615
15 3PIJ FRU 4.04984
16 5XHA FRU FRU 4.36137
17 5EO8 TFU 5.46624
18 3ZXE PGZ 6.01504
19 4U6D 3DY 6.54206
20 5FMD NYT 6.54206
21 2YFT DQR 7.16511
22 4M3P HCS 7.47664
23 1Q8A HCS 9.03427
24 3BOF HCS 9.03427
25 3NJQ NJQ 10.8808
26 1Y9G FRU 12.7726
27 5GLN XYP XYP XYP 13.0841
28 5GLN XYS 13.0841
29 1PT2 SUC 13.7072
30 5A7V MAN 13.7072
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