Receptor
PDB id Resolution Class Description Source Keywords
3WKX 2 Å EC: 3.2.1.185 CRYSTAL STRUCTURE OF GH127 BETA-L-ARABINOFURANOSIDASE HYPBA1 BIFIDOBACTERIUM LONGUM ARABINOSE COMPLEX FORM BIFIDOBACTERIUM LONGUM (ALPHA/ALPHA)6 BARREL HYDROLASE INTRACELLULAR
Ref.: CRYSTAL STRUCTURE OF GLYCOSIDE HYDROLASE FAMILY 127 BETA-L-ARABINOFURANOSIDASE FROM BIFIDOBACTERIUM LON BIOCHEM.BIOPHYS.RES.COMMUN. 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUB A:701;
Valid;
none;
submit data
150.13 C5 H10 O5 C([C@...
ZN A:702;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WKX 2 Å EC: 3.2.1.185 CRYSTAL STRUCTURE OF GH127 BETA-L-ARABINOFURANOSIDASE HYPBA1 BIFIDOBACTERIUM LONGUM ARABINOSE COMPLEX FORM BIFIDOBACTERIUM LONGUM (ALPHA/ALPHA)6 BARREL HYDROLASE INTRACELLULAR
Ref.: CRYSTAL STRUCTURE OF GLYCOSIDE HYDROLASE FAMILY 127 BETA-L-ARABINOFURANOSIDASE FROM BIFIDOBACTERIUM LON BIOCHEM.BIOPHYS.RES.COMMUN. 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WKX - FUB C5 H10 O5 C([C@H]1[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WKX - FUB C5 H10 O5 C([C@H]1[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WKX - FUB C5 H10 O5 C([C@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUB; 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 : 3WKX; Ligand: FUB; Similar sites found: 189
This union binding pocket(no: 1) in the query (biounit: 3wkx.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.02115 0.40925 None
2 2WQP WQP 0.0005916 0.47945 1.14613
3 4O8A 2OP 0.007412 0.41523 1.34529
4 2ZWS PLM 0.007539 0.43249 1.39319
5 3AHC TPP 0.007228 0.43348 1.49477
6 4G1V FAD 0.005936 0.43477 1.50376
7 3GTD MLI 0.001731 0.41138 1.65975
8 1R0X ATP 0.04343 0.40012 1.74825
9 4RNV FMN 0.01347 0.40301 1.75
10 2C31 ADP 0.01916 0.44315 1.76056
11 4DQ2 BTX 0.002898 0.45061 1.82927
12 1F1V DHY 0.0000457 0.4449 1.85759
13 1XE7 GUN 0.01335 0.40324 1.97044
14 3NNF AKG 0.002297 0.41601 2.03488
15 1P72 THM 0.0008234 0.41147 2.09581
16 4N7U 2JA 0.0009752 0.4564 2.10526
17 1V6A TRE 0.001123 0.41685 2.10843
18 3FPZ AHZ 0.007353 0.46791 2.14724
19 1Y1A GSH 0.0008244 0.48948 2.18579
20 1KTC NGA 0.0003471 0.42881 2.22222
21 2YIV NBN 0.00603 0.405 2.28659
22 1V5F TPP 0.02322 0.46111 2.37691
23 1V5F FAD 0.02322 0.46111 2.37691
24 3UH0 TSB 0.007856 0.42322 2.3913
25 1KC7 PPR 0.002539 0.4211 2.39163
26 9LDT OXM 0.004993 0.43192 2.40964
27 9LDB OXM 0.006322 0.42689 2.40964
28 1Q11 TYE 0.0008371 0.40981 2.41935
29 1KBJ FMN 0.002597 0.44834 2.42718
30 4QVH FLC 0.01961 0.41339 2.50836
31 4DVE BTN 0.004018 0.41794 2.52525
32 1X54 4AD 0.00576 0.43094 2.53456
33 2GDZ NAD 0.007955 0.43153 2.62172
34 3QP6 HL6 0.0001464 0.4065 2.64151
35 2ZJ3 G6P 0.0004066 0.47555 2.66667
36 4GYW UDP 0.01478 0.42132 2.69058
37 1XHL NDP 0.01594 0.41977 2.6936
38 2YVF FAD 0.02016 0.43669 2.69608
39 2YVF NAD 0.02075 0.43669 2.69608
40 4M5P 23W 0.00457 0.41724 2.7027
41 3KJI ADP 0.004135 0.42453 2.75591
42 2BO4 FLC 0.002115 0.4245 2.77078
43 1H16 PYR 0.001961 0.43366 2.84006
44 1PR9 NAP 0.00351 0.45198 2.86885
45 3L24 GOA 0.01395 0.40235 2.90135
46 1WGC SIA GAL BGC 0.01719 0.40551 2.92398
47 2NW9 FT6 0.004054 0.40917 2.94118
48 4BAS GNP 0.005379 0.4273 3.01508
49 4LWA Q13 0.0473 0.40406 3.0303
50 4DXJ IPE 0.004131 0.41475 3.03867
51 4LSJ LSJ 0.0008672 0.46289 3.10078
52 3TFC PEP 0.001039 0.40877 3.11688
53 3O2K QRP 0.0007167 0.4023 3.16456
54 3U1T MLI 0.002055 0.42504 3.23625
55 1SQ5 PAU 0.001508 0.40384 3.24675
56 2HVW DDN 0.00009745 0.40595 3.26087
57 3BLI ACO 0.001565 0.45325 3.2641
58 3SUC ATP 0.02053 0.42081 3.28849
59 2C4I BTN 0.001899 0.43933 3.32103
60 3UER TUR 0.0002154 0.40469 3.35878
61 3UER BTU 0.0002154 0.40469 3.35878
62 3BHO B4P 0.002424 0.44731 3.36538
63 3C1O NAP 0.004255 0.43695 3.42679
64 1RRC ADP 0.01919 0.404 3.43797
65 2Q8H TF4 0.01254 0.40453 3.4398
66 1P9P SAH 0.002274 0.44593 3.44828
67 2W8Q SIN 0.0005388 0.44993 3.49076
68 4UTW RFW 0.01434 0.41104 3.49345
69 2XBP ATP 0.04322 0.41133 3.53982
70 1Z42 HBA 0.001201 0.4804 3.5503
71 3WJP ANP 0.002678 0.43705 3.5503
72 1Z44 NPO 0.01153 0.42293 3.5503
73 4LIT AKG 0.0009175 0.42224 3.6855
74 2XUM OGA 0.000249 0.45568 3.72493
75 3P3N AKG 0.0002962 0.45259 3.72493
76 4B7E OGA 0.000346 0.43765 3.72493
77 1MG1 MAL 0.0184 0.40482 3.77778
78 2Q97 ATP 0.02101 0.4022 3.87597
79 1EU1 GLC 0.04544 0.4022 3.8864
80 3U5S FAD 0.004836 0.42938 3.96825
81 1E7S NAP 0.02492 0.41057 4.03587
82 2Z9V PXM 0.001387 0.40482 4.08163
83 3QDW A2G 0.001607 0.44627 4.1958
84 3QDV A2G 0.001716 0.44494 4.1958
85 3QDT A2G GAL 0.002479 0.42912 4.1958
86 2HW2 RFP 0.01581 0.41623 4.1958
87 3QDV NDG 0.006116 0.40474 4.1958
88 3QDY CBS 0.006797 0.40277 4.1958
89 4AF5 CIT 0.002956 0.4115 4.21053
90 4M51 BEZ 0.0003009 0.47001 4.21546
91 3S9K CIT 0.009188 0.42216 4.23729
92 1GAD NAD 0.005131 0.43627 4.24242
93 3ZGE ASP 0.001608 0.43751 4.33483
94 1O68 KIV 0.0003045 0.43218 4.36364
95 3QP4 HL0 0.0001174 0.40172 4.3956
96 2EFJ 37T 0.0008217 0.44137 4.42708
97 2EFJ SAH 0.01302 0.40463 4.42708
98 4USQ FAD 0.02261 0.41476 4.43213
99 4WBD CIT 0.004234 0.41872 4.43623
100 1SS4 GSH 0.0002151 0.52344 4.57516
101 2Q3M MLA 0.001707 0.44505 4.60123
102 4UOH ADP 0.0009942 0.441 4.63576
103 4RJK PYR 0.0131 0.42006 4.90368
104 2OFD NGA 0.004492 0.40401 4.92958
105 2OFE NAG 0.005346 0.4009 4.92958
106 1R37 ETX 0.00239 0.4153 5.18732
107 1R37 NAD 0.03789 0.40401 5.18732
108 1RYI GOA 0.004669 0.4469 5.2356
109 1TUV VK3 0.005124 0.42274 5.26316
110 3CL5 SIO 0.003356 0.41592 5.30504
111 2J8Z NAP 0.03279 0.40145 5.36723
112 4W6Z ETF 0.003997 0.41984 5.4755
113 4EXO PYR 0.001343 0.44101 5.47945
114 3O03 GCO 0.003793 0.42885 5.49828
115 1HFA PIO 0.00002372 0.61175 5.53633
116 3VPD BUA 0.00372 0.45179 5.69395
117 3VPD CIT 0.007491 0.42327 5.69395
118 1O9U ADZ 0.0002194 0.48664 5.71429
119 3B8I OXL 0.01289 0.41168 5.92335
120 1IS3 LAT 0.003411 0.4016 5.92593
121 2VQ5 HBA 0.003427 0.41553 5.97015
122 2VQ5 LDP 0.0102 0.40872 5.97015
123 2PTZ PAH 0.0008266 0.45514 6.01852
124 1Q3Q ANP 0.02097 0.43387 6.0219
125 4COQ SAN 0.0007192 0.43675 6.07287
126 5YAS FAC 0.0002777 0.46759 6.22568
127 4N02 FNR 0.01774 0.43474 6.44258
128 1V7R CIT 0.009076 0.41917 6.45161
129 4ME6 ADP 0.001617 0.4119 6.47668
130 2QLX RM4 0.006698 0.40304 6.48148
131 1JGS SAL 0.0008314 0.4819 6.52174
132 2XDQ MGX 0.002605 0.43647 6.73913
133 4B16 NAG 0.005236 0.43091 6.76692
134 1IYE PGU 0.01572 0.41888 6.79612
135 3OZG SSI 0.01366 0.40174 6.8
136 3CL7 HYN 0.008273 0.42376 6.81818
137 1FDJ 2FP 0.0005129 0.45903 6.88705
138 4R33 TRP 0.001078 0.47616 6.90476
139 4R33 SAH 0.001078 0.47616 6.90476
140 2CW6 3HG 0.00004035 0.52096 7.04698
141 3PNL ADP 0.001053 0.46102 7.109
142 1H8G CHT 0.001439 0.46961 7.36842
143 3ZLM ANP 0.009353 0.41291 7.44681
144 1H2M OGA 0.0002663 0.45448 7.69231
145 1C3V PDC 0.0008194 0.42324 7.7551
146 2AEB ABH 0.007273 0.43763 7.76398
147 3UBW 6SP 0.00148 0.48005 8.04598
148 3DAG FEG 0.001801 0.45563 8.10056
149 5EQU AKG 0.00444 0.4178 8.19672
150 4CIB 7UZ 0.001924 0.40877 8.35165
151 2H6B 3C4 0.03266 0.42281 8.4
152 1XX4 BAM 0.001356 0.44971 8.42912
153 3E4O SIN 0.001015 0.43419 8.52459
154 2G36 TRP 0.001528 0.4268 8.52941
155 1TDF NAP 0.03135 0.43208 8.86076
156 1TDF FAD 0.04178 0.41245 8.86076
157 1OMZ UD2 0.02182 0.42403 8.87372
158 4GJY OGA 0.009257 0.40118 8.93617
159 2X2T GAL NGA 0.01148 0.40632 9.15033
160 2P1M IHP 0.005314 0.43408 9.375
161 2YD6 FLC 0.005626 0.43164 9.43396
162 2D37 NAD 0.006668 0.43243 9.65909
163 2D37 FMN 0.01995 0.409 9.65909
164 2V7T SAH 0.04654 0.42976 9.699
165 1H2K OGA 0.0002494 0.45565 9.7561
166 1KHT AMP 0.005182 0.41057 10.9375
167 1Y75 NAG 0.001121 0.40239 11.0169
168 3CBG 4FE 0.002675 0.44521 11.2069
169 3CBG FER 0.002096 0.44089 11.2069
170 4TMK T5A 0.002101 0.4612 11.2676
171 1G8S MET 0.002077 0.4178 11.3043
172 2XI7 XI7 0.004382 0.44466 11.413
173 3SBZ MLI 0.01063 0.40789 11.5079
174 4F8L GAL 0.02938 0.4018 11.7241
175 3IHB TRS 0.02081 0.44391 12.0614
176 3IHB GLU 0.001292 0.43367 12.0614
177 4G28 0W8 0.0008635 0.4018 12.7517
178 3MAG 3MA 0.005907 0.42834 14.0065
179 3TKA CTN 0.00292 0.45408 14.121
180 2QIA U20 0.01478 0.43906 14.1221
181 1ULE GLA GAL NAG 0.003833 0.42066 14.6667
182 1YAG ATP 0.01299 0.41327 15.2
183 2V5E SCR 0.00988 0.41736 16.8317
184 1BTN I3P 0.000155 0.53377 16.9811
185 4Q3F TLA 0.001248 0.4269 17.094
186 1C1L GAL BGC 0.004586 0.4101 18.9781
187 4N7C AEF 0.002029 0.42527 21.0227
188 1UWZ THU 0.01378 0.40156 21.3235
189 1NU4 MLA 0.005178 0.44092 30.9278
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