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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 (84)
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 1BGG - GCO C6 H12 O7 C([C@H]([C....
12 1E4I - NFG C12 H13 F N2 O9 c1cc(c(cc1....
13 4EK7 - BGC C6 H12 O6 C([C@@H]1[....
14 3U57 - DH8 C27 H34 N2 O8 C/C=C/1[C@....
15 3U5Y - SCG C17 H24 O10 COC(=O)C1=....
16 5OKK - BGP C6 H13 O9 P C([C@@H]1[....
17 5OKE - BG6 C6 H13 O9 P C([C@@H]1[....
18 5OKR - BG6 C6 H13 O9 P C([C@@H]1[....
19 5OKG - BG6 C6 H13 O9 P C([C@@H]1[....
20 5OKQ - BGP C6 H13 O9 P C([C@@H]1[....
21 5OKS - BG6 C6 H13 O9 P C([C@@H]1[....
22 2ZOX - OLA C18 H34 O2 CCCCCCCCC=....
23 2E9M - OLA C18 H34 O2 CCCCCCCCC=....
24 2E9L - OLA C18 H34 O2 CCCCCCCCC=....
25 3AI0 - PNW C12 H15 N O8 c1cc(ccc1[....
26 4IPN - 1FT C12 H23 O13 P S C([C@@H]1[....
27 5N6T - 8P2 C7 H11 N2 O4 C([C@@H]1[....
28 2WBG Ki = 35.2 uM LGS C15 H28 N2 O5 CCCCCCCC/N....
29 2J7H Ki = 53 nM AZF C5 H12 N2 O3 C1[C@H]([C....
30 2J7D Ki = 160 nM GI1 C10 H17 N2 O6 CO[C@@H](c....
31 1W3J Kd = 484 nM OXZ C5 H11 N O4 C1[C@H]([C....
32 2J7C Ki = 10.7 nM IDE C15 H19 N3 O4 c1ccc(cc1)....
33 2J79 Ki = 640 nM GTL C6 H12 N2 O5 C([C@@H]1[....
34 2WC3 Ki = 0.83 uM AM3 C15 H28 N2 O5 CCCCCCCC/N....
35 2J75 - NOY C6 H13 N O4 C1[C@@H]([....
36 2VRJ Ki = 0.28 uM NCW C15 H28 N2 O4 S CCCCCCCCNC....
37 2J7F Ki = 361 nM GI3 C9 H13 N2 O6 c1c([nH]c2....
38 2J77 Ki = 4 uM NOJ C6 H13 N O4 C1[C@@H]([....
39 5OSS Ki = 58 uM AEZ C8 H12 N2 O4 c1[nH]c2c(....
40 1UZ1 Ki = 130 nM IFL C6 H11 N O4 C1[C@@H]([....
41 2CBU Kd = 2.1 uM CTS C8 H15 N O4 C1C[N@]2C[....
42 2J7G Ki = 136 nM GI4 C10 H15 N2 O6 c1c([nH]c2....
43 5N6S - 8P5 C13 H23 N4 O5 C(CCN=[N+]....
44 2WC4 Ki = 9.1 uM AMF C15 H28 N2 O4 S CCCCCCCCN=....
45 2CBV Kd = 3.3 uM CGB C7 H13 N O4 C1C[C@]2([....
46 1OIF Kd = 0.019 uM IFM C6 H13 N O3 C1[C@@H]([....
47 2CES Ki = 138 nM GIM C8 H13 N2 O4 c1c[n+]2c(....
48 2J7E Ki = 114 nM GI2 C11 H17 N2 O6 COC(=O)Cc1....
49 2J78 Kd = 384 nM GOX C6 H12 N2 O5 C([C@@H]1[....
50 1OIM Kd = 4.762 uM NOJ C6 H13 N O4 C1[C@@H]([....
51 2CET Ki = 7.5 nM PGI C16 H21 N2 O4 c1ccc(cc1)....
52 2J7B Ki = 174 nM NTZ C6 H10 N4 O4 C([C@@H]1[....
53 4JIE - BMA C6 H12 O6 C([C@@H]1[....
54 3AIV - HBO C9 H9 N O5 COc1ccc2c(....
55 3AIQ - HBO C9 H9 N O5 COc1ccc2c(....
56 3AIR - DNF C6 H4 N2 O5 c1cc(c(cc1....
57 3AIS - HBK BGC n/a n/a
58 3AIW - DNF C6 H4 N2 O5 c1cc(c(cc1....
59 4PTX - BGC C6 H12 O6 C([C@@H]1[....
60 4PTV - TCB C12 H22 O10 S C([C@@H]1[....
61 3GNP - SOG C14 H28 O5 S CCCCCCCCS[....
62 5AYI - BGC C6 H12 O6 C([C@@H]1[....
63 1E56 - GLC HBO n/a n/a
64 1E55 Ki = 76 uM DHR C8 H7 N O2 c1cc(ccc1[....
65 1V08 Ki ~ 1 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
66 1E4N - HBO C9 H9 N O5 COc1ccc2c(....
67 1H49 - HBO BGC n/a n/a
68 5GNX - BGC C6 H12 O6 C([C@@H]1[....
69 5GNY - BGC C6 H12 O6 C([C@@H]1[....
70 5GNZ - BGC C6 H12 O6 C([C@@H]1[....
71 2E40 - LGC C6 H10 O6 C([C@@H]1[....
72 3F5K Ki = 0.024 mM CE5 C30 H52 O26 C([C@@H]1[....
73 4QLL Ka = 2400 M^-1 CTT C24 H42 O21 C([C@@H]1[....
74 4QLJ - CTT C24 H42 O21 C([C@@H]1[....
75 3F5J Ki = 0.052 mM CTT C24 H42 O21 C([C@@H]1[....
76 4QLK Ka = 1800 M^-1 CTT C24 H42 O21 C([C@@H]1[....
77 3F5L Ki = 0.191 mM LB2 C12 H22 O11 C([C@@H]1[....
78 3PTQ - NFG C12 H13 F N2 O9 c1cc(c(cc1....
79 4PBG - BGP C6 H13 O9 P C([C@@H]1[....
80 3CMJ - SRT C4 H6 O6 [C@H]([C@H....
81 5YIF - 8VR C9 H14 O8 C[C@]1(OC[....
82 1V03 - BGC CCN IPH n/a n/a
83 2O9T - BGC C6 H12 O6 C([C@@H]1[....
84 2O9R Ki = 21 mM TCB C12 H22 O10 S C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LB2; Similar ligands found: 265
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN GLC 1 1
2 M3M 1 1
3 LB2 1 1
4 NGR 1 1
5 GLC BGC BGC BGC BGC BGC BGC 0.888889 1
6 BGC BGC BGC GLC BGC BGC 0.888889 1
7 BMA MAN MAN MAN 0.764706 1
8 MAN BMA MAN 0.685185 1
9 P3M 0.666667 0.767442
10 GAL GAL SO4 0.660714 0.66
11 BQZ 0.644444 0.909091
12 CGC 0.62963 0.941176
13 GLA GAL GAL 0.618182 1
14 MAN BMA MAN MAN MAN 0.616667 1
15 M5S 0.616667 1
16 2M4 0.612245 1
17 GAL MBG 0.607843 0.942857
18 MDM 0.607843 0.942857
19 M13 0.607843 0.942857
20 BGC BGC BGC BGC BGC BGC BGC BGC 0.603448 1
21 BGC GAL 0.6 1
22 LBT 0.6 1
23 B2G 0.6 1
24 LAT 0.6 1
25 BMA GAL 0.6 1
26 GLA GLA 0.6 1
27 CBI 0.6 1
28 GLC GAL 0.6 1
29 MAL 0.6 1
30 BGC BMA 0.6 1
31 CBK 0.6 1
32 GAL BGC 0.6 1
33 MAB 0.6 1
34 GLA GAL 0.6 1
35 N9S 0.6 1
36 BGC BGC BGC BGC BGC 0.584906 1
37 BGC BGC BGC BGC 0.584906 1
38 GLA GAL BGC 0.584906 1
39 BMA BMA BMA 0.584906 1
40 BGC GLC GLC 0.584906 1
41 CTR 0.584906 1
42 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.584906 1
43 BMA MAN BMA 0.584906 1
44 GLC BGC BGC BGC BGC 0.584906 1
45 BMA BMA BMA BMA BMA 0.584906 1
46 MT7 0.584906 1
47 DXI 0.584906 1
48 CE6 0.584906 1
49 MAN MAN BMA BMA BMA BMA 0.584906 1
50 MLR 0.584906 1
51 BGC GLC GLC GLC 0.584906 1
52 GLA GAL GLC 0.584906 1
53 CT3 0.584906 1
54 GLC BGC BGC 0.584906 1
55 GAL GAL GAL 0.584906 1
56 BMA BMA BMA BMA BMA BMA 0.584906 1
57 BGC BGC GLC 0.584906 1
58 BGC BGC BGC 0.584906 1
59 GLC BGC GLC 0.584906 1
60 BGC BGC BGC GLC 0.584906 1
61 MAN BMA BMA BMA BMA 0.584906 1
62 CTT 0.584906 1
63 MAN BMA BMA 0.584906 1
64 GLC GAL GAL 0.584906 1
65 GLC GLC GLC GLC GLC 0.584906 1
66 CE5 0.584906 1
67 BGC GLC GLC GLC GLC 0.584906 1
68 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.584906 1
69 B4G 0.584906 1
70 MAN BMA BMA BMA BMA BMA 0.584906 1
71 CEX 0.584906 1
72 GLC GLC BGC 0.584906 1
73 BGC GLC GLC GLC GLC GLC GLC 0.584906 1
74 CE8 0.584906 1
75 BGC BGC BGC BGC BGC BGC 0.584906 1
76 GLC BGC BGC BGC 0.584906 1
77 GLC BGC BGC BGC BGC BGC 0.584906 1
78 CEY 0.584906 1
79 MTT 0.584906 1
80 TRE 0.581395 1
81 NAG GAL GAL NAG GAL 0.573529 0.6875
82 BMA MAN MAN MAN MAN 0.5625 1
83 NAG GAL 0.559322 0.733333
84 GAL NAG 0.559322 0.733333
85 GAL FUC 0.555556 0.941176
86 GAL NAG GAL FUC 0.549296 0.717391
87 GLA NAG GAL FUC 0.549296 0.717391
88 LAT GLA 0.54902 1
89 MAN MAN MAN GLC 0.540984 1
90 BMA BMA 0.537037 0.914286
91 BGC BGC 0.537037 0.914286
92 U63 0.527273 0.891892
93 GAL A2G 0.525424 0.733333
94 GAL NGA 0.525424 0.733333
95 A2G GAL 0.525424 0.733333
96 FUC BGC GAL 0.52459 0.970588
97 MAN MAN BMA MAN 0.52381 1
98 MAN MAN MAN MAN 0.52381 1
99 GLA MBG 0.519231 0.942857
100 MMA MAN 0.518519 0.942857
101 DR5 0.518519 0.942857
102 GLA EGA 0.517857 0.942857
103 DOM 0.509091 0.942857
104 BMA BMA MAN 0.508772 1
105 MAN MAN BMA 0.508772 1
106 47N 0.508475 0.891892
107 AAL GAL 0.508475 0.891892
108 GLA GLA FUC 0.508197 0.970588
109 GAL GAL FUC 0.508197 0.970588
110 GLA GAL FUC 0.508197 0.970588
111 FUC GLA GLA 0.508197 0.970588
112 FUC GAL GLA 0.508197 0.970588
113 GAL NGA A2G 0.5 0.6875
114 MAN BMA NAG 0.5 0.733333
115 NOY BGC 0.5 0.702128
116 GLA GAL NAG 0.5 0.733333
117 MAN MAN MAN MAN MAN MAN MAN 0.5 1
118 5QP 0.491228 0.885714
119 RZM 0.490909 0.688889
120 T6P 0.490909 0.767442
121 NAG MAN BMA 0.485294 0.733333
122 MAL EDO 0.482759 0.942857
123 IFM BGC 0.482759 0.711111
124 BGC OXZ 0.482759 0.666667
125 IFM BMA 0.482759 0.711111
126 BMA IFM 0.482759 0.711111
127 9MR 0.482759 0.744186
128 GLA MAN ABE 0.477612 0.916667
129 G2F BGC BGC BGC BGC BGC 0.47619 0.868421
130 MAN MMA MAN 0.47619 0.942857
131 NDG GAL 0.47541 0.733333
132 GAL NDG 0.47541 0.733333
133 NLC 0.47541 0.733333
134 MAN MNM 0.474576 0.702128
135 NOJ GLC 0.474576 0.695652
136 GLC DMJ 0.474576 0.695652
137 FMO 0.474576 0.868421
138 MAN MAN MAN BMA MAN 0.471429 1
139 XYT 0.467742 0.767442
140 BMA FRU 0.465517 0.842105
141 FRU GAL 0.465517 0.842105
142 BMA BMA GLA BMA BMA 0.462687 1
143 MAN MAN MAN MAN MAN MAN MAN MAN 0.4625 0.846154
144 GLC GLC XYP 0.461538 1
145 MAN G63 0.459016 0.653061
146 GDQ GLC 0.459016 0.666667
147 MAN 7D1 0.45614 0.888889
148 GLC 0.454545 0.848485
149 ALL 0.454545 0.848485
150 MAN 0.454545 0.848485
151 WOO 0.454545 0.848485
152 GXL 0.454545 0.848485
153 GIV 0.454545 0.848485
154 GAL 0.454545 0.848485
155 GLA 0.454545 0.848485
156 BMA 0.454545 0.848485
157 BGC 0.454545 0.848485
158 NAG BMA 0.453125 0.653061
159 GAL NAG GAL GLC 0.452055 0.733333
160 BGC GAL NAG GAL 0.452055 0.733333
161 GAL MGC 0.451613 0.702128
162 GLA GAL BGC 5VQ 0.451613 0.891892
163 GLC GLC GLC BGC 0.447761 1
164 GAL NGA GLA BGC GAL 0.447368 0.733333
165 3MG 0.446809 0.857143
166 LAK 0.446429 1
167 BMA MAN 0.446429 1
168 MAN MAN 0.446429 1
169 BGC GLC 0.446429 1
170 GLA BGC 0.446429 1
171 GLC GLC 0.446429 1
172 BGC GLA 0.446429 1
173 MLB 0.446429 1
174 MAN BMA 0.446429 1
175 GAL GAL 0.446429 1
176 KHO 0.446429 0.888889
177 GLC BGC 0.446429 1
178 GAL GLC 0.446429 1
179 BMA GLA 0.446429 1
180 GLA GLC 0.446429 1
181 GLA BMA 0.446429 1
182 FUC GAL NAG GAL FUC 0.443038 0.702128
183 ABL 0.442623 0.702128
184 MVP 0.442623 0.733333
185 MAN DGO 0.440678 0.914286
186 GLC GAL NAG GAL 0.44 0.733333
187 LAT NAG GAL 0.44 0.733333
188 OXZ BGC BGC 0.439394 0.6875
189 G2I 0.439394 0.767442
190 G3I 0.439394 0.767442
191 MBG 0.4375 0.857143
192 MMA 0.4375 0.857143
193 AMG 0.4375 0.857143
194 GYP 0.4375 0.857143
195 GAL BGC BGC XYS 0.43662 0.942857
196 ISX 0.433333 0.761905
197 SOR GLC GLC 0.432836 0.970588
198 GLC GLC GLC GLC GLC BGC 0.431034 1
199 MAN MAN MAN 0.431034 1
200 GLC GLC GLC GLC BGC 0.431034 1
201 GLC GLC GLC 0.431034 1
202 BMA MAN MAN 0.431034 1
203 GLA GAL GLC NBU 0.430769 0.846154
204 BGC GLA GAL FUC 0.430556 0.970588
205 8VZ 0.428571 0.673469
206 WZ3 0.428571 0.916667
207 GAL AAL GAL AAL GAL AAL 0.426667 0.891892
208 AAL GAL AAL GAL 0.426667 0.891892
209 AAL GAL AAL GLA 0.426667 0.891892
210 NAG GAL GAL NAG 0.426667 0.6875
211 GAL NAG GAL NAG GAL NAG 0.426667 0.673469
212 GLC GLC XYS 0.426471 0.970588
213 MAN IFM 0.42623 0.727273
214 GLC IFM 0.42623 0.727273
215 BGC BGC BGC FRU 0.424242 0.868421
216 OPM MAN MAN 0.422535 0.804878
217 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.421053 0.942857
218 BGC BGC BGC XYS BGC BGC 0.421053 0.942857
219 BGC BGC BGC XYS GAL 0.421053 0.942857
220 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.421053 0.942857
221 LSE 0.42029 0.6875
222 GLO GLC GLC GLC 0.42029 0.970588
223 SOR GLC GLC GLC 0.42029 0.970588
224 GLC 7LQ 0.419355 0.885714
225 UMQ 0.41791 0.785714
226 NGT GAL 0.41791 0.66
227 LMT 0.41791 0.785714
228 GAL NGT 0.41791 0.66
229 DMU 0.41791 0.785714
230 LMU 0.41791 0.785714
231 TUR 0.416667 0.842105
232 GLC FRU 0.416667 0.842105
233 GLO GLC GLC 0.416667 0.942857
234 BTU 0.416667 0.842105
235 NGA GLA GAL BGC 0.415584 0.733333
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 SIA NAG GAL GAL 0.40625 0.622642
241 GLC BDF 0.40625 0.916667
242 NAG GAL BGC 0.405405 0.733333
243 GLA MAN RAM ABE 0.405063 0.891892
244 GAL NAG GAL BGC 0.405063 0.702128
245 RIB 0.404762 0.742857
246 AHR 0.404762 0.742857
247 32O 0.404762 0.742857
248 Z6J 0.404762 0.742857
249 FUB 0.404762 0.742857
250 NAG MAN BMA MAN NAG GAL 0.404494 0.6875
251 G1P 0.403846 0.697674
252 M1P 0.403846 0.697674
253 GL1 0.403846 0.697674
254 XGP 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 NAG BMA MAN MAN MAN MAN MAN 0.402597 0.868421
259 NAG NAG BMA MAN 0.402439 0.634615
260 RGG 0.4 0.882353
261 GAL BGC NAG GAL 0.4 0.733333
262 LAG 0.4 0.6
263 6UZ 0.4 0.846154
264 FUC GAL 0.4 0.941176
265 GAL NAG GAL 0.4 0.702128
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3F5K; Ligand: CE5; Similar sites found with APoc: 106
This union binding pocket(no: 1) in the query (biounit: 3f5k.bio3) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 2X05 X05 1.0395
2 5NGL NOJ BGC 1.6632
3 3VSV XYP 1.8711
4 3II1 BGC 2.079
5 1Q7E MET 2.1028
6 4CD6 IFM BMA 2.1875
7 5Z4T BMA BMA 2.26537
8 3T7V MD0 2.28571
9 4UFH GIF 2.2869
10 1U8X G6P 2.33051
11 3WV6 GAL GLC 2.36486
12 4CU7 GIF 2.4948
13 4D1J DGJ 2.4948
14 3HYW DCQ 2.55814
15 4I90 CHT 2.64026
16 2VOT NHV 2.7027
17 4YHG CT3 2.82776
18 5L77 GUX 2.9106
19 4MRP GSH 3.1185
20 5A1S FLC 3.125
21 3EMZ HXH 3.32326
22 2OYL IDC 3.3264
23 4AMF ACP 3.3264
24 2Y24 XYP XYP GCV XYP 3.39426
25 4M82 NGB 3.50877
26 3TII ANP 3.68421
27 6D6W GCU 3.7422
28 2JEQ GAL BGC BGC BGC XYS BGC XYS 3.79747
29 5H9P TD2 3.79747
30 3QP4 HL0 3.84615
31 3PA8 IHP 3.93701
32 5D4Y BXP 3.94366
33 5LX9 OLB 3.9501
34 4DHL 0K7 3.99061
35 1ULE GLA GAL NAG 4
36 2NSX IFM 4.158
37 6B21 C9V 4.18719
38 5K21 6QF 4.25532
39 2VRQ XYP XYP AHR 4.3659
40 5CX6 CDP 4.3659
41 3TL1 JRO 4.40252
42 4LYQ MAN BMA BMA 4.45434
43 5LDQ NAP 4.51977
44 4MPO AMP 4.57516
45 2YMZ LAT 4.61538
46 5M37 9SZ 4.78261
47 3ZUY TCH 4.95356
48 5JSP DQY 4.97512
49 3NV3 GAL NAG MAN 5.07246
50 3I0O SMI 5.30973
51 1PX8 XYP 5.40541
52 4YZT BGC BGC BGC BGC 5.40541
53 5BXA MAN 5.52885
54 5C1M OLC 5.6
55 5C1M CLR 5.6
56 6CS8 F9Y 5.61056
57 5FU3 BGC BGC BGC 5.66038
58 2BCG GER 5.82524
59 2UW1 GVM 5.91716
60 3ZXE PGZ 6.01504
61 2E0P CTT 6.02911
62 3ZMR GLO BGC BGC XYS BGC XYS XYS 6.31579
63 1CEN BGC BGC 6.41399
64 4U5I BXP 6.45161
65 5WUU 7UU 6.47482
66 5DG2 GAL GLC 6.66667
67 1W6P NDG GAL 6.71642
68 1W6O LAT 6.71642
69 1GZW GAL BGC 6.71642
70 3OYW TDG 6.71642
71 6CB2 OLC 7.16724
72 4DXJ 0M9 7.18232
73 2BOS GLA GAL 7.35294
74 3AYS CT3 7.44681
75 5U97 PIT 7.48441
76 6BR8 6OU 7.53968
77 1UZ4 IFL 7.72727
78 1KWK GAL 7.75194
79 3OGV PTQ 8.10811
80 5I79 CTT 8.22368
81 4WVW SLT 8.33333
82 5MWE TCE 8.64198
83 2WOR 2AN 9
84 5NBP BGC BGC BGC 9.19118
85 3WFD AXO 9.58904
86 6D50 GCB 10.395
87 4MBY BGC SIA GAL 10.7914
88 3ZQ9 NOY BGC 10.8108
89 2VWA PTY 11.8812
90 5W7B MYR 12.766
91 4JH6 FCN 14.4928
92 5CHR 4NC 14.5985
93 5C9J DAO 15.1515
94 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 15.8031
95 3VV1 GAL FUC 16.25
96 5H4R CTT 17.1717
97 3RJY GLC 18.125
98 4OGQ 7PH 19.3548
99 6GL0 GLC BGC BGC 20.2417
100 5C8W PCG 20.2797
101 5W97 CHD 25.8824
102 5Z84 CHD 25.8824
103 5ZCO CHD 25.8824
104 5M36 9SZ 26.3158
105 2Y69 CHD 38.0952
106 2CER PGI 46.5696
Pocket No.: 2; Query (leader) PDB : 3F5K; Ligand: CE5; Similar sites found with APoc: 8
This union binding pocket(no: 2) in the query (biounit: 3f5k.bio3) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1B4N GUA 1.8711
2 2QJT AMP 2.55682
3 1V0L XIF XYP 2.8754
4 4D52 GXL 3.80952
5 4Y24 TD2 5.84416
6 1A78 TDG 5.97015
7 1NU4 MLA 11.3402
8 3N7S 3N7 15.625
Pocket No.: 3; Query (leader) PDB : 3F5K; Ligand: CE5; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3f5k.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3F5K; Ligand: CE5; Similar sites found with APoc: 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 Sequence Similarity
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