Receptor
PDB id Resolution Class Description Source Keywords
1WD4 2.07 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF ARABINOFURANOSIDASE COMPLEXED WITH ARAB ASPERGILLUS KAWACHII BETA-SANDWICH BETA-TREFOIL COMPLEX WITH ARABINOSE HYDROLA
Ref.: CRYSTAL STRUCTURE OF A FAMILY 54 ALPHA-L-ARABINOFUR REVEALS A NOVEL CARBOHYDRATE-BINDING MODULE THAT CA ARABINOSE J.BIOL.CHEM. V. 279 44907 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AHR A:601;
A:602;
A:603;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
150.13 C5 H10 O5 C([C@...
NAG NAG A:501;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WD4 2.07 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF ARABINOFURANOSIDASE COMPLEXED WITH ARAB ASPERGILLUS KAWACHII BETA-SANDWICH BETA-TREFOIL COMPLEX WITH ARABINOSE HYDROLA
Ref.: CRYSTAL STRUCTURE OF A FAMILY 54 ALPHA-L-ARABINOFUR REVEALS A NOVEL CARBOHYDRATE-BINDING MODULE THAT CA ARABINOSE J.BIOL.CHEM. V. 279 44907 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2D44 - AHR XYS XYS n/a n/a
2 1WD4 - AHR C5 H10 O5 C([C@H]1[C....
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 2D44 - AHR XYS XYS n/a n/a
2 1WD4 - AHR C5 H10 O5 C([C@H]1[C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2D44 - AHR XYS XYS n/a n/a
2 1WD4 - AHR C5 H10 O5 C([C@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AHR; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 Z6J 1 1
2 RIB 1 1
3 AHR 1 1
4 FUB 1 1
5 32O 1 1
6 MAN 0.653846 0.866667
7 BGC 0.653846 0.866667
8 GAL 0.653846 0.866667
9 ALL 0.653846 0.866667
10 WOO 0.653846 0.866667
11 GIV 0.653846 0.866667
12 BMA 0.653846 0.866667
13 GLA 0.653846 0.866667
14 GXL 0.653846 0.866667
15 GLC 0.653846 0.866667
16 FUB AHR 0.486486 0.875
17 AHR AHR 0.486486 0.875
18 GAF 0.483871 0.764706
19 GCS 0.483871 0.684211
20 G3F 0.483871 0.764706
21 PA1 0.483871 0.684211
22 SHG 0.483871 0.764706
23 G2F 0.483871 0.764706
24 1GN 0.483871 0.684211
25 2FG 0.483871 0.764706
26 X6X 0.483871 0.684211
27 2H5 0.483871 0.764706
28 3MG 0.46875 0.764706
29 SR1 0.466667 0.764706
30 2GS 0.454545 0.764706
31 AHR AHR AHR 0.45 0.875
32 FUB AHR AHR 0.45 0.875
33 RP5 0.441176 0.675
34 ABF 0.441176 0.675
35 HSX 0.441176 0.675
36 GAL BGC 0.439024 0.742857
37 MAL MAL 0.439024 0.722222
38 GAL GLC 0.439024 0.742857
39 CBK 0.439024 0.742857
40 MAL 0.439024 0.742857
41 N9S 0.439024 0.742857
42 BMA GAL 0.439024 0.742857
43 BGC GLC 0.439024 0.742857
44 GLA GAL 0.439024 0.742857
45 LAT 0.439024 0.742857
46 BGC BMA 0.439024 0.742857
47 BGC GAL 0.439024 0.742857
48 CBI 0.439024 0.742857
49 GLA GLA 0.439024 0.742857
50 LBT 0.439024 0.742857
51 GLC GAL 0.439024 0.742857
52 BMA BMA 0.439024 0.742857
53 MAB 0.439024 0.742857
54 GLC BGC 0.439024 0.742857
55 B2G 0.439024 0.742857
56 TRE 0.424242 0.742857
57 YIO 0.419355 0.757576
58 GLF 0.40625 0.735294
59 ALX 0.405405 0.619048
60 BNX 0.405405 0.619048
61 M3M 0.404762 0.742857
62 MAN GLC 0.404762 0.742857
63 LB2 0.404762 0.742857
64 GLA GAL GLC 0.4 0.742857
65 ASO 0.4 0.757576
66 MTT 0.4 0.742857
67 DXI 0.4 0.742857
68 CEX 0.4 0.742857
69 CE6 0.4 0.742857
70 MAN BMA BMA BMA BMA 0.4 0.742857
71 BGC BGC BGC BGC BGC BGC 0.4 0.742857
72 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.742857
73 BGC GLC GLC GLC GLC 0.4 0.742857
74 GLC GLC GLC GLC GLC GLC GLC 0.4 0.742857
75 GAL GAL GAL 0.4 0.742857
76 MAN MAN BMA BMA BMA BMA 0.4 0.742857
77 BMA BMA BMA BMA BMA 0.4 0.742857
78 B4G 0.4 0.742857
79 BGC GLC GLC GLC GLC GLC GLC 0.4 0.742857
80 GLC GAL GAL 0.4 0.742857
81 BMA MAN BMA 0.4 0.742857
82 BGC GLC GLC 0.4 0.742857
83 GLC BGC BGC BGC BGC BGC 0.4 0.742857
84 CTT 0.4 0.742857
85 GLC GLC BGC GLC GLC GLC GLC 0.4 0.742857
86 CT3 0.4 0.742857
87 GLC BGC BGC 0.4 0.742857
88 GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.742857
89 GLC BGC GLC 0.4 0.742857
90 CEY 0.4 0.742857
91 MLR 0.4 0.742857
92 BMA BMA MAN 0.4 0.722222
93 MAN BMA BMA 0.4 0.742857
94 GLC GLC GLC GLC GLC 0.4 0.742857
95 BGC GLC GLC GLC 0.4 0.742857
96 GLC GLC BGC 0.4 0.742857
97 BMA BMA BMA BMA BMA BMA 0.4 0.742857
98 CE5 0.4 0.742857
99 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.742857
100 CTR 0.4 0.742857
101 GLC BGC BGC BGC BGC 0.4 0.742857
102 BGC BGC BGC GLC 0.4 0.742857
103 BMA BMA BMA 0.4 0.742857
104 MT7 0.4 0.742857
105 CE8 0.4 0.742857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WD4; Ligand: AHR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1wd4.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1WD4; Ligand: AHR; Similar sites found: 67
This union binding pocket(no: 2) in the query (biounit: 1wd4.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5THY SAH 0.01971 0.40498 1.23457
2 5THZ SAH 0.02258 0.40035 1.23457
3 1V3S ATP 0.01231 0.41354 1.72414
4 5JCA NDP 0.03408 0.42756 1.89873
5 4AUA 4AU 0.009541 0.41332 1.9544
6 4EWN 0VR 0.01446 0.40445 1.97628
7 4HXY NDP 0.04336 0.40042 2.07469
8 5JAX 6J7 0.01462 0.40421 2.22222
9 2Q4W FAD 0.02128 0.41896 2.28216
10 3O8M BGC 0.007157 0.41256 2.48963
11 3O8M GLC 0.007157 0.41256 2.48963
12 2CH5 NAG 0.008865 0.41049 2.59366
13 2CH5 NDG 0.008997 0.41018 2.59366
14 1ZAP A70 0.009026 0.43252 2.63158
15 4DP3 NDP 0.04974 0.40814 2.6971
16 4DP3 MMV 0.04974 0.40814 2.6971
17 4DQ2 BTX 0.008026 0.43515 2.7439
18 4PVV HO4 0.0366 0.41033 2.77778
19 1IZE IVA VAL VAL STA ALA STA 0.01159 0.41982 2.78638
20 5UIU 8CG 0.03445 0.40462 2.78638
21 4D7E FAD 0.04994 0.40117 2.7972
22 1GTE FAD 0.01249 0.45135 2.90456
23 3VIU ADP 0.008482 0.41582 2.90456
24 2DXU BT5 0.005503 0.44625 2.97872
25 5KBF CMP 0.01493 0.40169 2.99003
26 3EAU PDN 0.0375 0.40788 3.0581
27 2PT9 2MH 0.02709 0.4134 3.11526
28 2PT9 S4M 0.01769 0.4134 3.11526
29 3CTY FAD 0.03415 0.41713 3.1348
30 2ZMF CMP 0.019 0.40237 3.1746
31 1CX4 CMP 0.009798 0.41476 3.27869
32 4NVP 7CH 0.01399 0.40308 3.34928
33 5C8W PCG 0.01151 0.40013 3.4965
34 2I7C AAT 0.02956 0.41139 3.53357
35 1YVD GNP 0.02962 0.4005 3.5503
36 3EFS BTN 0.002127 0.44955 3.86266
37 4JEJ 1GP 0.01379 0.40118 4.09836
38 2BW7 ECS 0.04221 0.41437 4.10959
39 3NCQ ATP 0.009989 0.41983 4.20168
40 4AVB CMP 0.01043 0.40707 4.2042
41 1H9A NAP 0.01833 0.42238 4.56432
42 4L80 OXL 0.0007658 0.40196 4.5977
43 3OCP CMP 0.01172 0.40226 5.03597
44 4FMS BDP 0.01374 0.40323 5.03778
45 1Q6O LG6 0.00916 0.41418 5.09259
46 1Z6Z NAP 0.02711 0.40772 5.31915
47 2C91 NAP 0.04575 0.40127 5.6213
48 3LF0 ATP 0.0215 0.40466 6.14035
49 2PHN GDP 0.02438 0.4034 6.29921
50 3PNA CMP 0.007275 0.40964 6.49351
51 1HXD BTN 0.004355 0.43606 6.54206
52 4KXQ APR 0.01854 0.40792 6.76157
53 4USI ATP 0.01215 0.41555 7.14286
54 4WB7 ATP 0.04507 0.40161 7.16049
55 1CZA GLC 0.006019 0.41356 7.67635
56 3FHI ANP 0.0226 0.40794 8.28571
57 3EMY IVA VAL VAL STA ALA STA 0.01078 0.41461 9.11854
58 2J9D ADP 0.01485 0.4128 9.2437
59 2J9D AMP 0.01591 0.40435 9.2437
60 3SHR CMP 0.006455 0.41471 9.36455
61 4MUV PCG 0.008985 0.41246 9.85915
62 1SVK ALF GDP 0.03065 0.40495 9.91501
63 4YRY NAD 0.0242 0.43134 11.5942
64 4QS9 BGC 0.009032 0.40516 12.0253
65 1EXB NDP 0.02945 0.41041 12.6214
66 1WOQ BGC 0.01147 0.40272 12.7341
67 1TT8 PHB 0.006308 0.43631 15.2439
Pocket No.: 3; Query (leader) PDB : 1WD4; Ligand: AHR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1wd4.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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