Receptor
PDB id Resolution Class Description Source Keywords
3f5l 1.37 Å EC: 3.2.1.21 SEMI-ACTIVE E176Q MUTANT OF RICE BGLU1, A PLANT EXOGLUCANASE GLUCOSIDASE ORYZA SATIVA JAPONICA GROUP BETA-ALPHA-BARRELS GLYCOSIDASE HYDROLASE
Ref.: THE STRUCTURAL BASIS OF OLIGOSACCHARIDE BINDING BY BGLU1 BETA-GLUCOSIDASE J.STRUCT.BIOL. V. 173 169 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LB2 A:1000;
B:1000;
Valid;
Valid;
none;
none;
Ki = 0.191 mM
342.296 C12 H22 O11 C([C@...
MES A:1003;
B:1003;
Invalid;
Invalid;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
SO4 A:1002;
B:1002;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:1001;
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
3F5K 1.8 Å EC: 3.2.1.21 SEMI-ACTIVE E176Q MUTANT OF RICE BGLU1, A PLANT EXOGLUCANASE GLUCOSIDASE ORYZA SATIVA JAPONICA GROUP BETA-ALPHA-BARRELS GLYCOSIDASE HYDROLASE
Ref.: THE STRUCTURAL BASIS OF OLIGOSACCHARIDE BINDING BY BGLU1 BETA-GLUCOSIDASE J.STRUCT.BIOL. V. 173 169 2011
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 3F5K Ki = 0.024 mM CE5 C30 H52 O26 C([C@@H]1[....
2 4QLL Ka = 2400 M^-1 CTT C24 H42 O21 C([C@@H]1[....
3 4QLJ - CTT C24 H42 O21 C([C@@H]1[....
4 3F5J Ki = 0.052 mM CTT C24 H42 O21 C([C@@H]1[....
5 4QLK Ka = 1800 M^-1 CTT C24 H42 O21 C([C@@H]1[....
6 3F5L Ki = 0.191 mM LB2 C12 H22 O11 C([C@@H]1[....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4JIE - BMA C6 H12 O6 C([C@@H]1[....
2 3F5K Ki = 0.024 mM CE5 C30 H52 O26 C([C@@H]1[....
3 4QLL Ka = 2400 M^-1 CTT C24 H42 O21 C([C@@H]1[....
4 4QLJ - CTT C24 H42 O21 C([C@@H]1[....
5 3F5J Ki = 0.052 mM CTT C24 H42 O21 C([C@@H]1[....
6 4QLK Ka = 1800 M^-1 CTT C24 H42 O21 C([C@@H]1[....
7 3F5L Ki = 0.191 mM LB2 C12 H22 O11 C([C@@H]1[....
50% Homology Family (77)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1W9D ic50 = 0.58 mM SEH C10 H13 N O4 S2 CCS/C(=NOS....
2 1W9B ic50 = 0.99 mM CGT C15 H21 N O8 S2 c1ccc(cc1)....
3 1E6Q Ki = 0.7 mM NTZ C6 H10 N4 O4 C([C@@H]1[....
4 1E70 - G2F C6 H11 F O5 C([C@@H]1[....
5 1E71 - ASC C6 H8 O6 C([C@@H]([....
6 2WXD ic50 = 3.3 uM E18 C12 H18 N2 O4 S2 CN(C)CCS/C....
7 1E72 Ki = 0.6 mM GOX C6 H12 N2 O5 C([C@@H]1[....
8 1E6X - LGC C6 H10 O6 C([C@@H]1[....
9 1E73 - ASC C6 H8 O6 C([C@@H]([....
10 1E6S Ki = 0.6 mM GOX C6 H12 N2 O5 C([C@@H]1[....
11 1UYQ - NFG C12 H13 F N2 O9 c1cc(c(cc1....
12 1BGG - GCO C6 H12 O7 C([C@H]([C....
13 1E4I - NFG C12 H13 F N2 O9 c1cc(c(cc1....
14 4EK7 - BGC C6 H12 O6 C([C@@H]1[....
15 3U57 - DH8 C27 H34 N2 O8 C/C=C/1[C@....
16 3U5Y - SCG C17 H24 O10 COC(=O)C1=....
17 2ZOX - OLA C18 H34 O2 CCCCCCCCC=....
18 2E9M - OLA C18 H34 O2 CCCCCCCCC=....
19 2E9L - OLA C18 H34 O2 CCCCCCCCC=....
20 3AI0 - PNW C12 H15 N O8 c1cc(ccc1[....
21 4IPN - 1FT C12 H23 O13 P S C([C@@H]1[....
22 5N6T - 8P2 C7 H11 N2 O4 C([C@@H]1[....
23 2WBG Ki = 35.2 uM LGS C15 H28 N2 O5 CCCCCCCC/N....
24 2J7H Ki = 53 nM AZF C5 H12 N2 O3 C1[C@H]([C....
25 2J7D Ki = 160 nM GI1 C10 H17 N2 O6 CO[C@@H](c....
26 1W3J Kd = 484 nM OXZ C5 H11 N O4 C1[C@H]([C....
27 2J7C Ki = 10.7 nM IDE C15 H19 N3 O4 c1ccc(cc1)....
28 2J79 Ki = 640 nM GTL C6 H12 N2 O5 C([C@@H]1[....
29 2WC3 Ki = 0.83 uM AM3 C15 H28 N2 O5 CCCCCCCC/N....
30 2J75 - NOY C6 H13 N O4 C1[C@@H]([....
31 2VRJ Ki = 0.28 uM NCW C15 H28 N2 O4 S CCCCCCCCNC....
32 2J7F Ki = 361 nM GI3 C9 H13 N2 O6 c1c([nH]c2....
33 2J77 Ki = 4 uM NOJ C6 H13 N O4 C1[C@@H]([....
34 1UZ1 Ki = 130 nM IFL C6 H11 N O4 C1[C@@H]([....
35 2CBU Kd = 2.1 uM CTS C8 H15 N O4 C1C[N@]2C[....
36 2J7G Ki = 136 nM GI4 C10 H15 N2 O6 c1c([nH]c2....
37 5N6S - 8P5 C13 H23 N4 O5 C(CCN=[N+]....
38 2WC4 Ki = 9.1 uM AMF C15 H28 N2 O4 S CCCCCCCCN=....
39 2CBV Kd = 3.3 uM CGB C7 H13 N O4 C1C[C@]2([....
40 1OIF Kd = 0.019 uM IFM C6 H13 N O3 C1[C@@H]([....
41 2CES Ki = 138 nM GIM C8 H13 N2 O4 c1c[n+]2c(....
42 2J7E Ki = 114 nM GI2 C11 H17 N2 O6 COC(=O)Cc1....
43 2J78 Kd = 384 nM GOX C6 H12 N2 O5 C([C@@H]1[....
44 1OIM Kd = 4.762 uM NOJ C6 H13 N O4 C1[C@@H]([....
45 2CET Ki = 7.5 nM PGI C16 H21 N2 O4 c1ccc(cc1)....
46 2J7B Ki = 174 nM NTZ C6 H10 N4 O4 C([C@@H]1[....
47 4JIE - BMA C6 H12 O6 C([C@@H]1[....
48 3AIV - HBO C9 H9 N O5 COc1ccc2c(....
49 3AIQ - HBO C9 H9 N O5 COc1ccc2c(....
50 3AIR - DNF C6 H4 N2 O5 c1cc(c(cc1....
51 3AIS - HBK BGC n/a n/a
52 3AIW - DNF C6 H4 N2 O5 c1cc(c(cc1....
53 4PTX - BGC C6 H12 O6 C([C@@H]1[....
54 4PTV - TCB C12 H22 O10 S C([C@@H]1[....
55 3GNP - SOG C14 H28 O5 S CCCCCCCCS[....
56 5AYI - BGC C6 H12 O6 C([C@@H]1[....
57 1E56 - GLC HBO n/a n/a
58 1E55 Ki = 76 uM DHR C8 H7 N O2 c1cc(ccc1[....
59 1V08 Ki ~ 1 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
60 1E4N - HBO C9 H9 N O5 COc1ccc2c(....
61 1H49 - HBO BGC n/a n/a
62 5GNX - BGC C6 H12 O6 C([C@@H]1[....
63 5GNY - BGC C6 H12 O6 C([C@@H]1[....
64 5GNZ - BGC C6 H12 O6 C([C@@H]1[....
65 2E40 - LGC C6 H10 O6 C([C@@H]1[....
66 3F5K Ki = 0.024 mM CE5 C30 H52 O26 C([C@@H]1[....
67 4QLL Ka = 2400 M^-1 CTT C24 H42 O21 C([C@@H]1[....
68 4QLJ - CTT C24 H42 O21 C([C@@H]1[....
69 3F5J Ki = 0.052 mM CTT C24 H42 O21 C([C@@H]1[....
70 4QLK Ka = 1800 M^-1 CTT C24 H42 O21 C([C@@H]1[....
71 3F5L Ki = 0.191 mM LB2 C12 H22 O11 C([C@@H]1[....
72 3PTQ - NFG C12 H13 F N2 O9 c1cc(c(cc1....
73 4PBG - BGP C6 H13 O9 P C([C@@H]1[....
74 3CMJ - SRT C4 H6 O6 [C@H]([C@H....
75 1V03 - BGC CCN IPH n/a n/a
76 2O9T - BGC C6 H12 O6 C([C@@H]1[....
77 2O9R Ki = 21 mM TCB C12 H22 O10 S C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LB2; Similar ligands found: 268
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN GLC 1 1
2 LB2 1 1
3 M3M 1 1
4 BGC BGC BGC BGC BGC 0.888889 1
5 BGC BGC BGC GLC BGC BGC 0.888889 1
6 GLC BGC BGC BGC BGC BGC BGC 0.888889 1
7 BGC BGC BGC 0.888889 1
8 GLC BGC BGC BGC 0.888889 1
9 BGC BGC BGC ASO BGC BGC ASO 0.888889 1
10 BGC BGC GLC 0.833333 1
11 BMA MAN MAN 0.78 1
12 GAL GAL SO4 0.672727 0.702128
13 P3M 0.666667 0.767442
14 GLC GLC GLC GLC 0.631579 1
15 CGC 0.62963 0.941176
16 GLA GAL GAL 0.618182 1
17 GLA GAL BGC 0.618182 1
18 MAN BMA MAN MAN MAN 0.616667 1
19 M5S 0.616667 1
20 BMA BMA MAN 0.615385 0.970588
21 2M4 0.612245 1
22 MAN MAN 0.612245 1
23 BGC BGC 0.612245 1
24 M13 0.607843 0.942857
25 MDM 0.607843 0.942857
26 GAL MBG 0.607843 0.942857
27 BGC BGC BGC BGC BGC BGC BGC BGC 0.603448 1
28 BGC BGC BGC BGC 0.603448 1
29 GAL GLC 0.6 1
30 B2G 0.6 1
31 BMA GAL 0.6 1
32 N9S 0.6 1
33 LAT 0.6 1
34 LBT 0.6 1
35 MAB 0.6 1
36 GLC BGC 0.6 1
37 BGC BMA 0.6 1
38 MAL 0.6 1
39 GAL BGC 0.6 1
40 GLA GAL 0.6 1
41 BMA BMA 0.6 1
42 MAL MAL 0.6 0.970588
43 CBK 0.6 1
44 GLC GAL 0.6 1
45 BGC GLC 0.6 1
46 CBI 0.6 1
47 GLA GLA 0.6 1
48 BGC GAL 0.6 1
49 BGC BGC BGC GLC 0.584906 1
50 MLR 0.584906 1
51 GLC GLC GLC GLC GLC GLC GLC GLC 0.584906 1
52 GLC GLC GLC GLC GLC 0.584906 1
53 BGC GLC GLC GLC 0.584906 1
54 CEY 0.584906 1
55 GLC BGC BGC 0.584906 1
56 CTR 0.584906 1
57 CTT 0.584906 1
58 DXI 0.584906 1
59 MT7 0.584906 1
60 GLC BGC BGC BGC BGC 0.584906 1
61 BMA BMA BMA 0.584906 1
62 CT3 0.584906 1
63 CE5 0.584906 1
64 CE6 0.584906 1
65 CEX 0.584906 1
66 B4G 0.584906 1
67 BGC GLC GLC 0.584906 1
68 MAN MAN BMA BMA BMA BMA 0.584906 1
69 BGC BGC BGC BGC BGC BGC 0.584906 1
70 GLC GAL GAL 0.584906 1
71 MAN BMA BMA BMA BMA 0.584906 1
72 GLC BGC BGC BGC BGC BGC 0.584906 1
73 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.584906 1
74 BMA MAN BMA 0.584906 1
75 BMA BMA BMA BMA BMA BMA 0.584906 1
76 BGC GLC GLC GLC GLC 0.584906 1
77 BGC GLC GLC GLC GLC GLC GLC 0.584906 1
78 GAL GAL GAL 0.584906 1
79 GLC GLC BGC 0.584906 1
80 GLC GLC BGC GLC GLC GLC GLC 0.584906 1
81 MAN BMA BMA 0.584906 1
82 MTT 0.584906 1
83 BMA BMA BMA BMA BMA 0.584906 1
84 GLC BGC GLC 0.584906 1
85 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.584906 1
86 GLA GAL GLC 0.584906 1
87 GLC GLC GLC GLC GLC GLC GLC 0.584906 1
88 CE8 0.584906 1
89 TRE 0.581395 1
90 NAG GAL GAL NAG GAL 0.573529 0.6875
91 MAN BMA BMA BMA BMA BMA 0.571429 0.970588
92 BMA BMA BMA BMA BMA BMA MAN 0.571429 0.970588
93 GAL NAG 0.559322 0.733333
94 NGA GAL 0.559322 0.733333
95 NAG GAL 0.559322 0.733333
96 GAL FUC 0.555556 0.941176
97 GLA NAG GAL FUC 0.549296 0.717391
98 GAL NAG GAL FUC 0.549296 0.717391
99 LAT GLA 0.54902 1
100 NOY BGC 0.545455 0.75
101 MAN MAN MAN GLC 0.540984 1
102 BMA MAN 0.537037 0.914286
103 U63 0.527273 0.891892
104 GAL A2G 0.525424 0.733333
105 A2G GAL 0.525424 0.733333
106 GAL NGA 0.525424 0.733333
107 FUC BGC GAL 0.52459 0.970588
108 MAN MAN MAN MAN 0.52381 1
109 MAN MAN BMA MAN 0.52381 1
110 GLA MBG 0.519231 0.942857
111 DR5 0.518519 0.942857
112 MMA MAN 0.518519 0.942857
113 GLA EGA 0.517857 0.942857
114 DOM 0.509091 0.942857
115 MAN MAN BMA 0.508772 1
116 47N 0.508475 0.891892
117 AAL GAL 0.508475 0.891892
118 FUC GAL GLA 0.508197 0.970588
119 FUC GLA GLA 0.508197 0.970588
120 GLA GAL FUC 0.508197 0.970588
121 GAL GAL FUC 0.508197 0.970588
122 GLA GLA FUC 0.508197 0.970588
123 MAN BMA NAG 0.5 0.733333
124 NAG GAL GAL 0.5 0.733333
125 GLA GAL NAG 0.5 0.733333
126 5QP 0.491228 0.885714
127 T6P 0.490909 0.767442
128 RZM 0.490909 0.688889
129 GLC GLC GLC GLC GLC GLC 0.484375 1
130 BMA IFM 0.482759 0.744186
131 IFM BGC 0.482759 0.744186
132 9MR 0.482759 0.744186
133 MAN MNM 0.482759 0.75
134 MAL EDO 0.482759 0.942857
135 BGC OXZ 0.482759 0.666667
136 IFM BMA 0.482759 0.744186
137 GLA MAN ABE 0.477612 0.916667
138 MAN MMA MAN 0.47619 0.942857
139 G2F BGC BGC BGC BGC BGC 0.47619 0.868421
140 NLC 0.47541 0.733333
141 GAL NDG 0.47541 0.733333
142 NDG GAL 0.47541 0.733333
143 FMO 0.474576 0.868421
144 NOJ GLC 0.474576 0.727273
145 GLC DMJ 0.474576 0.727273
146 MAN MAN MAN BMA MAN 0.471429 1
147 GAL NGA A2G 0.469697 0.673469
148 FRU GAL 0.465517 0.842105
149 BMA FRU 0.465517 0.842105
150 BMA BMA GLA BMA BMA 0.462687 1
151 MAN MAN MAN MAN MAN MAN MAN MAN 0.4625 0.846154
152 GLC GLC XYP 0.461538 1
153 MAN 7D1 0.45614 0.888889
154 BMA 0.454545 0.848485
155 WOO 0.454545 0.848485
156 BGC 0.454545 0.848485
157 GAL 0.454545 0.848485
158 ALL 0.454545 0.848485
159 GLC 0.454545 0.848485
160 GIV 0.454545 0.848485
161 MAN 0.454545 0.848485
162 GXL 0.454545 0.848485
163 GLA 0.454545 0.848485
164 NAG BMA 0.453125 0.653061
165 LAT NAG GAL 0.452055 0.733333
166 GAL NAG GAL BGC 0.452055 0.733333
167 BGC GAL NAG GAL 0.452055 0.733333
168 GAL MGC 0.451613 0.702128
169 GLA GAL BGC 5VQ 0.451613 0.891892
170 GLC GLC GLC BGC 0.447761 1
171 GAL NGA GLA BGC GAL 0.447368 0.733333
172 3MG 0.446809 0.857143
173 MAN BMA 0.446429 1
174 BMA GLA 0.446429 1
175 GLA BMA 0.446429 1
176 GAL GAL 0.446429 1
177 MLB 0.446429 1
178 LAK 0.446429 1
179 GLA BGC 0.446429 1
180 BGC GLA 0.446429 1
181 KHO 0.446429 0.888889
182 GLA GLC 0.446429 1
183 BGC BGC G2F SHG 0.444444 0.846154
184 FUC GAL NAG GAL FUC 0.443038 0.702128
185 ABL 0.442623 0.702128
186 MVP 0.442623 0.733333
187 MAN DGO 0.440678 0.914286
188 GLC GAL NAG GAL 0.44 0.733333
189 G2I 0.439394 0.767442
190 OXZ BGC BGC 0.439394 0.6875
191 G3I 0.439394 0.767442
192 MBG 0.4375 0.857143
193 GYP 0.4375 0.857143
194 AMG 0.4375 0.857143
195 MMA 0.4375 0.857143
196 GAL BGC BGC XYS 0.43662 0.942857
197 ISX 0.433333 0.761905
198 SOR GLC GLC 0.432836 0.970588
199 GLC GLC BGC XYS BGC XYS 0.432432 0.942857
200 GLC GLC GLC 0.431034 1
201 MAN MAN MAN 0.431034 1
202 GLC GLC GLC GLC BGC 0.431034 1
203 GLC GLC GLC GLC GLC BGC 0.431034 1
204 GLA GAL GLC NBU 0.430769 0.846154
205 BGC GLA GAL FUC 0.430556 0.970588
206 WZ3 0.428571 0.916667
207 NAG MAN GAL MAN MAN NAG GAL 0.428571 0.6875
208 8VZ 0.428571 0.673469
209 GAL AAL GAL AAL GAL AAL 0.426667 0.891892
210 GAL NAG GAL NAG GAL NAG 0.426667 0.673469
211 AAL GAL AAL GLA 0.426667 0.891892
212 NAG GAL GAL NAG 0.426667 0.6875
213 AAL GAL AAL GAL 0.426667 0.891892
214 GLC GLC XYS 0.426471 0.970588
215 GLC IFM 0.42623 0.761905
216 MAN IFM 0.42623 0.761905
217 OPM MAN MAN 0.422535 0.804878
218 BGC BGC BGC XYS GAL 0.421053 0.942857
219 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.421053 0.942857
220 BGC BGC BGC XYS BGC BGC 0.421053 0.942857
221 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.421053 0.942857
222 LSE 0.42029 0.6875
223 SOR GLC GLC GLC 0.42029 0.970588
224 GLC 7LQ 0.419355 0.885714
225 NGT GAL 0.41791 0.66
226 UMQ 0.41791 0.785714
227 LMT 0.41791 0.785714
228 LMU 0.41791 0.785714
229 GAL NGT 0.41791 0.66
230 DMU 0.41791 0.785714
231 GLO GLC GLC 0.416667 0.942857
232 BTU 0.416667 0.842105
233 TUR 0.416667 0.842105
234 NGA GLA GAL BGC 0.415584 0.733333
235 3CU GLC 0.415385 0.607843
236 GLA MMA ABE 0.414286 0.868421
237 FUC BGC GAL NAG GAL 0.411765 0.717391
238 2M8 0.410714 0.911765
239 BGC RAM BGC GAD 0.409639 0.846154
240 GLC BDF 0.40625 0.916667
241 SIA NAG GAL GAL 0.40625 0.622642
242 NAG GAL BGC 0.405405 0.733333
243 GLO GLC GLC GLC 0.405405 0.942857
244 GLA MAN RAM ABE 0.405063 0.891892
245 BMA MAN MAN MAN 0.405063 0.846154
246 Z6J 0.404762 0.742857
247 AHR 0.404762 0.742857
248 FUB 0.404762 0.742857
249 32O 0.404762 0.742857
250 RIB 0.404762 0.742857
251 XGP 0.403846 0.697674
252 GL1 0.403846 0.697674
253 M1P 0.403846 0.697674
254 G1P 0.403846 0.697674
255 GAL NAG MAN 0.402778 0.733333
256 FUC NDG GAL 0.402778 0.717391
257 GAL NDG FUC 0.402778 0.717391
258 GAL NAG FUC 0.402778 0.717391
259 MAN NAG GAL 0.402778 0.733333
260 FUC NAG GAL 0.402778 0.717391
261 NAG BMA MAN MAN MAN MAN MAN 0.402597 0.868421
262 NAG NAG BMA MAN 0.402439 0.634615
263 RGG 0.4 0.882353
264 6UZ 0.4 0.846154
265 GAL BGC NAG GAL 0.4 0.733333
266 LAG 0.4 0.6
267 GAL NAG GAL 0.4 0.702128
268 FUC GAL 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3F5K; Ligand: CE5; Similar sites found: 42
This union binding pocket(no: 1) in the query (biounit: 3f5k.bio3) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X05 X05 0.01674 0.4058 1.0395
2 5NGL NOJ BGC 0.006993 0.43689 1.6632
3 3VSV XYP 0.03424 0.4012 1.8711
4 3II1 BGC 0.00002602 0.59724 2.079
5 4CD6 IFM BMA 0.0158 0.42304 2.1875
6 1U8X G6P 0.02638 0.41005 2.33051
7 3WV6 GAL GLC 0.0152 0.40842 2.36486
8 4I90 CHT 0.0199 0.4167 2.64026
9 4YHG CT3 0.001501 0.45598 2.82776
10 5L77 GUX 0.01003 0.40607 2.9106
11 4MRP GSH 0.04882 0.40539 3.1185
12 3EMZ HXH 0.03526 0.40447 3.32326
13 2OYL IDC 0.003806 0.42497 3.3264
14 3TII ANP 0.02509 0.40437 3.68421
15 3PA8 IHP 0.0337 0.40157 3.93701
16 5D4Y BXP 0.03599 0.40399 3.94366
17 2NSX IFM 0.01607 0.41029 4.158
18 2VRQ XYP XYP AHR 0.004621 0.42861 4.3659
19 4LYQ MAN BMA BMA 0.008684 0.4276 4.45434
20 2YMZ LAT 0.006282 0.41668 4.61538
21 3I0O SMI 0.02521 0.4137 5.30973
22 4YZT BGC BGC BGC BGC 0.0002746 0.50274 5.40541
23 5FU3 BGC BGC BGC 0.01118 0.43237 5.66038
24 5A6M XYP XYP 0.02056 0.40501 6.11247
25 4U5I BXP 0.0008975 0.49084 6.45161
26 5WUU 7UU 0.02785 0.41236 6.47482
27 5DG2 GAL GLC 0.01812 0.40313 6.66667
28 1W6P NDG GAL 0.01184 0.41492 6.71642
29 2BOS GLA GAL 0.02512 0.41526 7.35294
30 3AYS CT3 0.000284 0.50831 7.44681
31 3OGV PTQ 0.01413 0.40584 8.10811
32 5I79 CTT 0.007036 0.42006 8.22368
33 4WVW SLT 0.01151 0.4097 8.33333
34 3WFD AXO 0.005085 0.46103 9.58904
35 3ZQ9 NOY BGC 0.0007518 0.45238 10.8108
36 2VWA PTY 0.01688 0.41437 11.8812
37 4JH6 FCN 0.03593 0.40011 14.4928
38 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 0.0008531 0.4677 15.8031
39 3VV1 GAL FUC 0.02733 0.40176 16.25
40 5H4R CTT 0.0002439 0.50532 17.1717
41 3RJY GLC 0.0000771 0.53858 18.125
42 2CER PGI 0.00000006552 0.56401 46.5696
Pocket No.: 2; Query (leader) PDB : 3F5K; Ligand: CE5; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3f5k.bio3) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3F5K; Ligand: CE5; Similar sites found: 4
This union binding pocket(no: 3) in the query (biounit: 3f5k.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5M4Q PRO 0.03608 0.40002 2.4948
2 2QJT AMP 0.03842 0.40052 2.55682
3 1A78 TDG 0.02295 0.40618 5.97015
4 3N7S 3N7 0.04995 0.4034 15.625
Pocket No.: 4; Query (leader) PDB : 3F5K; Ligand: CE5; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3f5k.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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