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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 AHR 1 1
2 FUB 1 1
3 32O 1 1
4 Z6J 1 1
5 RIB 1 1
6 GAL 0.653846 0.866667
7 GLC 0.653846 0.866667
8 BMA 0.653846 0.866667
9 WOO 0.653846 0.866667
10 GLA 0.653846 0.866667
11 BGC 0.653846 0.866667
12 MAN 0.653846 0.866667
13 GXL 0.653846 0.866667
14 ALL 0.653846 0.866667
15 GIV 0.653846 0.866667
16 FUB AHR 0.486486 0.875
17 AHR AHR 0.486486 0.875
18 G3F 0.483871 0.764706
19 2FG 0.483871 0.764706
20 1GN 0.483871 0.684211
21 GCS 0.483871 0.684211
22 SHG 0.483871 0.764706
23 2H5 0.483871 0.764706
24 PA1 0.483871 0.684211
25 GAF 0.483871 0.764706
26 X6X 0.483871 0.684211
27 95Z 0.483871 0.684211
28 G2F 0.483871 0.764706
29 3MG 0.46875 0.764706
30 SR1 0.466667 0.764706
31 2GS 0.454545 0.764706
32 FUB AHR AHR 0.45 0.875
33 AHR AHR AHR AHR AHR AHR 0.45 0.875
34 RP5 0.441176 0.675
35 HSX 0.441176 0.675
36 ABF 0.441176 0.675
37 GAL BGC 0.439024 0.742857
38 LBT 0.439024 0.742857
39 CBI 0.439024 0.742857
40 BMA GAL 0.439024 0.742857
41 B2G 0.439024 0.742857
42 GLA GLA 0.439024 0.742857
43 GLC GAL 0.439024 0.742857
44 N9S 0.439024 0.742857
45 BGC BMA 0.439024 0.742857
46 BGC GAL 0.439024 0.742857
47 MAL 0.439024 0.742857
48 MAB 0.439024 0.742857
49 GLA GAL 0.439024 0.742857
50 LAT 0.439024 0.742857
51 CBK 0.439024 0.742857
52 TRE 0.424242 0.742857
53 YIO 0.419355 0.757576
54 GLF 0.40625 0.735294
55 ALX 0.405405 0.619048
56 BNX 0.405405 0.619048
57 LB2 0.404762 0.742857
58 M3M 0.404762 0.742857
59 MAN GLC 0.404762 0.742857
60 NGR 0.404762 0.742857
61 GLA GAL BGC 0.4 0.742857
62 BGC BGC BGC BGC BGC BGC 0.4 0.742857
63 BGC BGC BGC BGC BGC 0.4 0.742857
64 BGC GLC GLC GLC 0.4 0.742857
65 CT3 0.4 0.742857
66 CEY 0.4 0.742857
67 GAL GAL GAL 0.4 0.742857
68 CE6 0.4 0.742857
69 B4G 0.4 0.742857
70 BMA MAN BMA 0.4 0.742857
71 GLC BGC BGC 0.4 0.742857
72 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.742857
73 MAN BMA BMA BMA BMA BMA 0.4 0.742857
74 GLA GAL GLC 0.4 0.742857
75 MT7 0.4 0.742857
76 GLC GLC BGC 0.4 0.742857
77 GLC GAL GAL 0.4 0.742857
78 CEX 0.4 0.742857
79 GLC GLC GLC GLC GLC 0.4 0.742857
80 DXI 0.4 0.742857
81 GLC BGC GLC 0.4 0.742857
82 CE5 0.4 0.742857
83 BGC BGC BGC BGC 0.4 0.742857
84 BGC GLC GLC GLC GLC GLC GLC 0.4 0.742857
85 CE8 0.4 0.742857
86 BGC GLC GLC GLC GLC 0.4 0.742857
87 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.742857
88 CTR 0.4 0.742857
89 BMA BMA BMA 0.4 0.742857
90 GLC BGC BGC BGC BGC BGC 0.4 0.742857
91 BMA BMA BMA BMA BMA 0.4 0.742857
92 CTT 0.4 0.742857
93 BMA BMA BMA BMA BMA BMA 0.4 0.742857
94 BGC GLC GLC 0.4 0.742857
95 MAN MAN BMA BMA BMA BMA 0.4 0.742857
96 GLC BGC BGC BGC BGC 0.4 0.742857
97 ASO 0.4 0.757576
98 BGC BGC GLC 0.4 0.742857
99 BGC BGC BGC 0.4 0.742857
100 MAN BMA BMA 0.4 0.742857
101 MLR 0.4 0.742857
102 BGC BGC BGC GLC 0.4 0.742857
103 MAN BMA BMA BMA BMA 0.4 0.742857
104 GLC BGC BGC BGC 0.4 0.742857
105 MTT 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 with APoc: 153
This union binding pocket(no: 1) in the query (biounit: 1wd4.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2GMH FAD 1.03734
2 1R6T TYM 1.25786
3 1EU1 MGD 1.45228
4 2ZQO NGA 1.53846
5 4IHQ ADP 1.65975
6 2ZIF SAM 1.6835
7 3L4S NAD 1.78571
8 3L4S 3PG 1.78571
9 4V3C C 1.80412
10 3S1S SAH 1.86722
11 2WZG UPG 1.86722
12 2VJM COA 1.86916
13 1VGR COA 1.87354
14 3FYS PLM 1.90476
15 1G60 SAM 1.92308
16 3NW7 LGV 1.9544
17 5KGS 6SR 1.96937
18 1QAN SAH 2.04918
19 5WJ6 B4A 2.07469
20 1BKJ FMN 2.08333
21 1T0I FMN 2.09424
22 3AJ6 NGA 2.0979
23 3A23 GAL 2.28216
24 3PFD FDA 2.29008
25 2ZW5 COA 2.32558
26 1G55 SAH 2.33236
27 5HDJ FMN 2.33463
28 3QDL FMN 2.38095
29 6C9B EGV 2.39362
30 3TLJ SAH 2.41287
31 6FRN FMN 2.43902
32 1I9G SAM 2.5
33 5LMC FMN 2.50522
34 2WK9 PLP 2.57069
35 2WK9 PLG 2.57069
36 6AA8 NAD 2.64901
37 2YCH ATP 2.65252
38 4Z87 5GP 2.6971
39 1QFT HSM 2.85714
40 2OYS FMN 2.89256
41 1WDK NAD 2.90456
42 5YVR NDP 2.93399
43 1JG3 ADN 2.97872
44 4GNC ASO 3.01003
45 2PT9 S4M 3.11526
46 3TKA SAM 3.17003
47 1S7N COA 3.2967
48 2OHH FMN 3.46535
49 1Q0S SAH 3.4749
50 4LFL TG6 3.48837
51 4POO SAM 3.5
52 5MJI 7O6 3.50195
53 3S2Y FMN 3.51759
54 3GDH SAH 3.52697
55 2E7Z MGD 3.52697
56 3E9I XAH 3.52697
57 3VPD ANP 3.55872
58 1F76 FMN 3.57143
59 3SJU NDP 3.58423
60 5KVA SAM 3.59712
61 1XDN ATP 3.61011
62 3N2S FMN 3.61446
63 1AL8 FMN 3.62117
64 5MQW ATP 3.62903
65 5MQW GTP 3.62903
66 1L3I SAH 3.64583
67 2XBK XBK 3.71287
68 3R96 AMP 3.7234
69 3R96 ACO 3.7234
70 6DVH FMN 3.80711
71 2B3D FAD 3.92157
72 2X2T GAL NGA 3.92157
73 5FP3 3JI 3.94191
74 2F1K NAP 3.94265
75 1P4C FMN 3.94737
76 1T5B FMN 3.9801
77 3SVL FMN 4.14508
78 1KBI FMN 4.14938
79 1KBI PYR 4.14938
80 5JFL NAD 4.14938
81 4PTZ FMN 4.18848
82 3C3Y SAH 4.21941
83 2OFD NGA 4.22535
84 2X61 CH 4.26357
85 5J62 FMN 4.329
86 3UXH FAD 4.34783
87 3UXH UXH 4.34783
88 5D63 FUC GAL GLA 4.43686
89 5D63 FUC GLA GLA 4.43686
90 4N65 FMN 4.56432
91 4N65 AQN 4.56432
92 3NBC LAT 4.72973
93 3JSX FAD 4.7619
94 3JSX CC2 4.7619
95 4YHB FAD 4.7619
96 4B98 PXG 4.91071
97 4C0X AQN 4.92611
98 4C0X FMN 4.92611
99 1E5D FMN 4.97512
100 2Z9C DTC 5
101 2Z9C FMN 5
102 4XGX ADP 5
103 2VHL GLP 5.05051
104 4LTN FMN 5.07614
105 4LTN NAI 5.07614
106 1TB3 FMN 5.11364
107 2NGR AF3 5.2356
108 2DPM SAM 5.28169
109 4R81 FMN 5.33981
110 1KBJ FMN 5.33981
111 1ICV FMN 5.52995
112 2FXU ATP 5.6
113 3MN6 ATP 5.61497
114 1BVY FMN 5.75916
115 3KO8 NAD 5.76923
116 6D6Y SAH 5.80913
117 1WG8 SAM 5.96491
118 3JVH HHV 6.01093
119 1R18 SAH 6.1674
120 5YZC NAG 6.38298
121 2YBQ UP2 6.50685
122 2Q9U FMN 6.52174
123 1I1N SAH 6.63717
124 1QRD FAD 6.95971
125 5O2D 9HH 7
126 1QMG APX 7.05394
127 3VPB GLU 7.14286
128 5K2M ADP 7.32601
129 3QDW A2G 7.69231
130 3QDV A2G 7.69231
131 3L9W FMN 7.74818
132 1IK4 PGH 7.89474
133 4O4K 2PK 8.03571
134 4CO3 ATP 8.03571
135 1NU4 MLA 8.24742
136 4D62 SIA 8.55615
137 3GFS FMN 10.3448
138 1IG3 VIB 10.6464
139 6FCH PRP 10.6742
140 3U4L ATP 10.7143
141 1RLJ FMN 10.7914
142 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 11.4286
143 4B1W ATP 11.4362
144 4PYW ACE THR THR ALA ILE NH2 11.6337
145 3HP8 SUC 11.8182
146 6MJ7 ARG 12.7273
147 1U8Z GDP 13.0952
148 1CZR FMN 13.6095
149 5LJI FMN 14.1892
150 2GTE VA 15.3226
151 6H39 FGY 19.3878
152 5Q0F 9FA 22.2222
153 5VEG FMN 28.0899
Pocket No.: 2; Query (leader) PDB : 1WD4; Ligand: AHR; Similar sites found with APoc: 112
This union binding pocket(no: 2) in the query (biounit: 1wd4.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5THY SAH 1.23457
2 5THZ SAH 1.23457
3 3A2Q ACA ACA 1.24481
4 1GPJ CIT 1.48515
5 1KC7 PPR 1.65975
6 1V3S ATP 1.72414
7 2HHP FLC 1.86722
8 5JBE MAL 1.86722
9 5JCA NDP 1.89873
10 4AUA 4AU 1.9544
11 4EWN 0VR 1.97628
12 1YXM ADE 1.9802
13 3ITJ CIT 2.07101
14 3CV2 OXL 2.07469
15 4HXY NDP 2.07469
16 5JAX 6J7 2.22222
17 2Q4W FAD 2.28216
18 1IZC PYR 2.35988
19 3O8M BGC 2.48963
20 3O8M GLC 2.48963
21 2CH5 NAG 2.59366
22 2CH5 NDG 2.59366
23 2VWT PYR 2.62172
24 1ZAP A70 2.63158
25 4DP3 NDP 2.6971
26 4DP3 MMV 2.6971
27 4DQ2 BTX 2.7439
28 4PVV HO4 2.77778
29 6AMI TRP 2.77778
30 6AM8 PLT 2.77778
31 1IZE IVA VAL VAL STA ALA STA 2.78638
32 4D7E FAD 2.7972
33 5C9P FUC 2.88714
34 1EXF GLY 2.89256
35 1GTE FAD 2.90456
36 3VIU ADP 2.90456
37 5FII PHE 2.94118
38 1WPY BTN 2.97872
39 2DXU BT5 2.97872
40 5KBF CMP 2.99003
41 3EAU PDN 3.0581
42 3EAU NDP 3.0581
43 2PT9 2MH 3.11526
44 5X80 SAL 3.125
45 3CTY FAD 3.1348
46 3C6K MTA 3.14961
47 3C6K SPD 3.14961
48 2ZMF CMP 3.1746
49 1CX4 CMP 3.27869
50 2IMG MLT 3.31126
51 6BQ6 TER 3.32326
52 4NVP 7CH 3.34928
53 6BA2 7KM 3.38983
54 5C8W PCG 3.4965
55 2I7C AAT 3.53357
56 1YVD GNP 3.5503
57 3EFS BTN 3.86266
58 4JEJ 1GP 4.09836
59 2BW7 ECS 4.10959
60 3NCQ ATP 4.20168
61 4AVB CMP 4.2042
62 3KV8 FAH 4.31655
63 6F5W KG1 4.33604
64 1P7T PYR 4.35685
65 1H9A NAP 4.56432
66 4L80 OXL 4.5977
67 1FNZ A2G 4.64135
68 5FYR INS 5.03356
69 3OCP CMP 5.03597
70 4FMS BDP 5.03778
71 1TL2 NDG 5.08475
72 1Q6O LG6 5.09259
73 4ZTD ALA GLY ALA GLY ALA 5.13834
74 1Z6Z NAP 5.31915
75 2C91 NAP 5.6213
76 1NE6 SP1 5.65371
77 3B9Q MLI 5.96026
78 2CWH PYC 6.12245
79 3LF0 ATP 6.14035
80 2V5K OXM 6.27178
81 2PHN GDP 6.29921
82 3PNA CMP 6.49351
83 1HXD BTN 6.54206
84 4KXQ APR 6.76157
85 4B5W PYR 7.03125
86 4USI ATP 7.14286
87 4WB7 ATP 7.16049
88 1CZA GLC 7.67635
89 4L9Z OXL 7.9646
90 4L9Z COA 7.9646
91 3FHI ANP 8.28571
92 5OC1 FAD 8.29876
93 1OFZ FUC 8.33333
94 1OFZ FUL 8.33333
95 3KIF GDL 8.49057
96 2IU8 PLM 8.55615
97 3EMY IVA VAL VAL STA ALA STA 9.11854
98 2J9D ADP 9.2437
99 2J9D AMP 9.2437
100 3SHR CMP 9.36455
101 5XOY LYS 9.65147
102 4MUV PCG 9.85915
103 1SVK ALF GDP 9.91501
104 6GU6 1QK 10.7143
105 4KU7 PCG 11.1111
106 4YRY NAD 11.5942
107 4QS9 BGC 12.0253
108 1EXB NDP 12.6214
109 1WOQ BGC 12.7341
110 5C2N NAG 14.5833
111 1TT8 PHB 15.2439
112 2HJ4 PNZ 15.5556
Pocket No.: 3; Query (leader) PDB : 1WD4; Ligand: AHR; Similar sites found with APoc: 25
This union binding pocket(no: 3) in the query (biounit: 1wd4.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 6CS9 PIO None
2 1WVG APR 1.67131
3 3X0V FAD 2.07469
4 5FI7 5XZ 2.07469
5 5EOU ATP 2.15054
6 4M20 COA 2.3622
7 6B0K G4S 9RN G4S 9RN G4S 2.43902
8 6B0K 9RN G4S 9RN G4S 2.43902
9 4MKG AP5 3.22581
10 2GCE SFC 3.33333
11 2GCE RFC 3.33333
12 5Y72 DST 3.58209
13 1EC9 XYH 3.58744
14 4P5E N6P 3.94737
15 2EV9 SKM 4.56274
16 2EV9 NAP 4.56274
17 4XO8 KGM 5.06329
18 1U7Z PMT 5.75221
19 2YBQ SAH 6.50685
20 4KBY C2E 7.72947
21 2ZFZ ARG 8.86076
22 5WB6 9ZM 9.01639
23 4MCC 21X 10.1626
24 2V1O COA 13.245
25 1ZHS NAG NAG BMA MAN MAN 16.8142
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