Receptor
PDB id Resolution Class Description Source Keywords
3K8M 2.5 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF SUSG WITH ACARBOSE BACTEROIDES THETAIOTAOMICRON AMYLASE ALPHA8/BETA8 BARREL CBM BETA-SANDWICH MEMBRANE PROTEIN
Ref.: SUSG: A UNIQUE CELL-MEMBRANE-ASSOCIATED ALPHA-AMYLASE FROM A PROMINENT HUMAN GUT SYMBIONT TARGETS COMPLEX STARCH MOLECULES. STRUCTURE V. 18 200 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3SA A:693;
B:693;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
483.464 C19 H33 N O13 C[C@@...
ACR A:720;
A:730;
B:820;
B:830;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
645.605 C25 H43 N O18 C[C@@...
CA A:700;
A:710;
B:800;
B:810;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
EDO A:750;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
MAL A:740;
B:840;
 Valid;
Valid;
 none;
none;
 submit data
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3K8L 2.3 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF SUSG-D498N MUTANT WITH MALTOHEPTAOSE BACTEROIDES THETAIOTAOMICRON AMYLASE ALPHA8/BETA8 BARREL CBM BETA-SANDWICH MEMBRANE P
Ref.: SUSG: A UNIQUE CELL-MEMBRANE-ASSOCIATED ALPHA-AMYLA PROMINENT HUMAN GUT SYMBIONT TARGETS COMPLEX STARCH MOLECULES. STRUCTURE V. 18 200 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 3K8M - ACR C25 H43 N O18 C[C@@H]1[C....
2 3K8L - CEX C30 H52 O26 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 3K8M - ACR C25 H43 N O18 C[C@@H]1[C....
2 3K8L - CEX C30 H52 O26 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 3K8M - ACR C25 H43 N O18 C[C@@H]1[C....
2 3K8L - CEX C30 H52 O26 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACR; Similar ligands found: 118
No: Ligand ECFP6 Tc MDL keys Tc
1 QPS 1 1
2 ACR 1 1
3 3SA 0.931507 1
4 7SA 0.879518 0.957447
5 IAB 0.744444 1
6 AAO 0.730337 1
7 ARE 0.730337 1
8 ACG 0.722222 0.956522
9 ABC 0.639175 0.956522
10 ABD 0.595506 0.854167
11 ACR GLC 0.593407 0.956522
12 ACR GLC GLC GLC GLC 0.593407 0.956522
13 6SA 0.586538 1
14 QV4 0.578947 1
15 TXT 0.571429 0.87234
16 GAC 0.571429 0.87234
17 HSD G6D GLC HSD G6D GLC BGC 0.534653 0.916667
18 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.534653 0.916667
19 ACI G6D GLC ACI G6D GLC GLC 0.534653 0.916667
20 HSD G6D GLC HSD G6D GLC GLC 0.534653 0.916667
21 BGC GLC DAF GLC GLC GLC DAF 0.495413 0.897959
22 HMC AGL GLC 0.484211 0.93617
23 MLR 0.481013 0.733333
24 MAN MAN BMA BMA BMA BMA 0.481013 0.733333
25 MAN BMA BMA 0.481013 0.733333
26 BGC BGC BGC BGC BGC BGC 0.481013 0.733333
27 CTR 0.481013 0.733333
28 MAN BMA BMA BMA BMA 0.481013 0.733333
29 CE6 0.481013 0.733333
30 GLC GLC GLC GLC GLC 0.481013 0.733333
31 GLC BGC BGC BGC BGC BGC 0.481013 0.733333
32 CE8 0.481013 0.733333
33 CE5 0.481013 0.733333
34 DXI 0.481013 0.733333
35 GLA GAL GLC 0.481013 0.733333
36 BMA BMA BMA 0.481013 0.733333
37 BGC BGC BGC GLC 0.481013 0.733333
38 CTT 0.481013 0.733333
39 BGC GLC GLC GLC 0.481013 0.733333
40 GLC GAL GAL 0.481013 0.733333
41 BMA BMA BMA BMA BMA 0.481013 0.733333
42 MT7 0.481013 0.733333
43 B4G 0.481013 0.733333
44 BGC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
45 GLC BGC BGC BGC BGC 0.481013 0.733333
46 BGC GLC GLC GLC GLC 0.481013 0.733333
47 BMA MAN BMA 0.481013 0.733333
48 BMA BMA BMA BMA BMA BMA 0.481013 0.733333
49 GLC GLC BGC 0.481013 0.733333
50 BGC GLC GLC 0.481013 0.733333
51 CEX 0.481013 0.733333
52 GAL GAL GAL 0.481013 0.733333
53 GLC BGC BGC 0.481013 0.733333
54 GLC BGC GLC 0.481013 0.733333
55 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
56 GLC GLC BGC GLC GLC GLC GLC 0.481013 0.733333
57 GLC GLC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
58 CT3 0.481013 0.733333
59 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.481013 0.733333
60 GLC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
61 CEY 0.481013 0.733333
62 MTT 0.481013 0.733333
63 ACR GLC GLC GLC 0.480769 0.956522
64 GLC GLC AGL HMC GLC 0.480769 0.956522
65 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.480769 0.895833
66 GLC GLC DAF BGC 0.480769 0.956522
67 GLC GLC ACI G6D GLC GLC 0.480769 0.956522
68 NGA GAL BGC 0.461538 0.836735
69 BMA BMA BMA BMA BMA BMA MAN 0.457831 0.717391
70 MAN BMA BMA BMA BMA BMA 0.457831 0.717391
71 AGL GLC HMC AGL GLC BGC 0.449541 0.895833
72 BGC BGC BGC BGC 0.448276 0.733333
73 BGC BGC BGC BGC BGC BGC BGC BGC 0.448276 0.733333
74 GLC AGL GLC HMC 0.447619 0.93617
75 GLC ACI GLD GAL 0.442308 0.956522
76 GLC ACI G6D GLC 0.442308 0.956522
77 GLC GLC GLC G6D ADH GLC 0.435185 0.897959
78 NGA GLA GAL BGC 0.434343 0.836735
79 LBT 0.43038 0.733333
80 BGC GLC 0.43038 0.733333
81 N9S 0.43038 0.733333
82 LAT 0.43038 0.733333
83 BGC GAL 0.43038 0.733333
84 GLC BGC 0.43038 0.733333
85 BGC BMA 0.43038 0.733333
86 MAB 0.43038 0.733333
87 GLA GAL 0.43038 0.733333
88 BMA BMA 0.43038 0.733333
89 GLC GAL 0.43038 0.733333
90 CBK 0.43038 0.733333
91 BMA GAL 0.43038 0.733333
92 GAL BGC 0.43038 0.733333
93 MAL MAL 0.43038 0.717391
94 MAL 0.43038 0.733333
95 GLA GLA 0.43038 0.733333
96 B2G 0.43038 0.733333
97 CBI 0.43038 0.733333
98 GAL GLC 0.43038 0.733333
99 ACI GLD GLC GAL 0.43 0.851064
100 DAF BGC GLC 0.43 0.851064
101 DAF GLC GLC 0.43 0.851064
102 BMA BMA GLA BMA BMA 0.423913 0.733333
103 BGC GAL FUC 0.422222 0.755556
104 GLC GAL FUC 0.422222 0.755556
105 FUC GAL GLC 0.422222 0.755556
106 LAT FUC 0.422222 0.755556
107 FUC LAT 0.422222 0.755556
108 GAL NGA GLA BGC GAL 0.415842 0.836735
109 GLC GLC G6D ACI GLC GLC GLC 0.415094 0.851064
110 GLC GLC GLC BGC 0.413043 0.733333
111 GLA GAL GAL 0.402299 0.733333
112 GLA GAL BGC 0.402299 0.733333
113 ACI GLD GLC ACI G6D BGC 0.401869 0.816327
114 ACI G6D GLC ACI G6D BGC 0.401869 0.816327
115 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.401869 0.816327
116 DAF GLC DAF GLC GLC 0.401869 0.816327
117 AC1 GLC AC1 BGC 0.401869 0.816327
118 BGC GLC AC1 GLC GLC GLC AC1 0.401869 0.816327
Ligand no: 2; Ligand: MAL; Similar ligands found: 339
No: Ligand ECFP6 Tc MDL keys Tc
1 LBT 1 1
2 GLC BGC 1 1
3 MAL MAL 1 0.970588
4 BGC GLC 1 1
5 CBI 1 1
6 GAL BGC 1 1
7 CBK 1 1
8 BGC BMA 1 1
9 N9S 1 1
10 GLA GLA 1 1
11 BGC GAL 1 1
12 GAL GLC 1 1
13 GLC GAL 1 1
14 BMA BMA 1 1
15 GLA GAL 1 1
16 BMA GAL 1 1
17 LAT 1 1
18 MAB 1 1
19 MAL 1 1
20 B2G 1 1
21 CEX 0.909091 1
22 BGC GLC GLC GLC GLC 0.909091 1
23 GLC GLC GLC GLC GLC 0.909091 1
24 CTR 0.909091 1
25 MTT 0.909091 1
26 CE5 0.909091 1
27 BMA BMA BMA BMA BMA 0.909091 1
28 CTT 0.909091 1
29 CT3 0.909091 1
30 GLC GLC GLC GLC GLC GLC GLC 0.909091 1
31 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
32 BGC BGC BGC GLC 0.909091 1
33 CEY 0.909091 1
34 MAN MAN BMA BMA BMA BMA 0.909091 1
35 BMA BMA BMA 0.909091 1
36 B4G 0.909091 1
37 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
38 GLC GAL GAL 0.909091 1
39 GLA GAL GLC 0.909091 1
40 GAL GAL GAL 0.909091 1
41 MAN BMA BMA BMA BMA 0.909091 1
42 MLR 0.909091 1
43 CE8 0.909091 1
44 MT7 0.909091 1
45 CE6 0.909091 1
46 GLC BGC BGC BGC BGC BGC 0.909091 1
47 GLC GLC BGC 0.909091 1
48 GLC BGC BGC 0.909091 1
49 GLC BGC GLC 0.909091 1
50 BMA MAN BMA 0.909091 1
51 GLC GLC BGC GLC GLC GLC GLC 0.909091 1
52 BGC GLC GLC 0.909091 1
53 BGC GLC GLC GLC 0.909091 1
54 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
55 DXI 0.909091 1
56 BMA BMA BMA BMA BMA BMA 0.909091 1
57 GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
58 GLC BGC BGC BGC BGC 0.909091 1
59 BGC BGC BGC BGC BGC BGC 0.909091 1
60 MAN BMA BMA 0.909091 1
61 MAN BMA BMA BMA BMA BMA 0.833333 0.970588
62 BMA BMA BMA BMA BMA BMA MAN 0.833333 0.970588
63 GLA GAL GAL 0.816327 1
64 GLA GAL BGC 0.816327 1
65 BGC BGC BGC BGC 0.754717 1
66 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
67 BMA BMA GLA BMA BMA 0.689655 1
68 LAT GLA 0.680851 1
69 GLC GLC GLC BGC 0.672414 1
70 BGC BGC GLC 0.660377 1
71 U63 0.647059 0.891892
72 DR5 0.64 0.942857
73 MMA MAN 0.64 0.942857
74 GLA EGA 0.634615 0.942857
75 BMA BMA MAN 0.615385 0.970588
76 GAL FUC 0.615385 0.941176
77 BGC BGC 0.612245 1
78 MAN MAN 0.612245 1
79 2M4 0.612245 1
80 GLC GAL FUC 0.610169 0.970588
81 GLC GLC GLC GLC GLC GLC 0.610169 1
82 FUC LAT 0.610169 0.970588
83 FUC GAL GLC 0.610169 0.970588
84 BGC GAL FUC 0.610169 0.970588
85 LAT FUC 0.610169 0.970588
86 BGC GLA GAL FUC 0.609375 0.970588
87 GAL NAG GAL BGC 0.606061 0.733333
88 LAT NAG GAL 0.606061 0.733333
89 GLC GLC BGC XYS BGC XYS 0.606061 0.942857
90 BGC GAL NAG GAL 0.606061 0.733333
91 MAN GLC 0.6 1
92 LB2 0.6 1
93 M3M 0.6 1
94 SGA BGC 0.6 0.702128
95 MAL EDO 0.592593 0.942857
96 BGC BGC BGC XYS GAL 0.588235 0.942857
97 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
98 GLC GAL NAG GAL 0.588235 0.733333
99 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
100 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
101 NGA GAL BGC 0.587302 0.733333
102 TRE 0.581395 1
103 ABD 0.57971 0.75
104 NDG GAL 0.578947 0.733333
105 GAL NDG 0.578947 0.733333
106 5GO 0.578947 0.66
107 NLC 0.578947 0.733333
108 DEL 0.574074 0.970588
109 GAL NGA GLA BGC GAL 0.571429 0.733333
110 MVP 0.571429 0.733333
111 GAL BGC BGC XYS 0.569231 0.942857
112 GLC GLC FRU 0.569231 0.868421
113 BMA MAN 0.566038 0.914286
114 GLC GLC XYP 0.557377 1
115 BGC BGC XYS BGC 0.552239 0.942857
116 NAG GAL BGC 0.552239 0.733333
117 GLA GAL BGC 5VQ 0.551724 0.891892
118 G2F BGC BGC BGC BGC BGC 0.55 0.868421
119 GLA MBG 0.54902 0.942857
120 GLC ACI GLD GLC 0.547945 0.785714
121 GLC G6D ACI GLC 0.547945 0.785714
122 GLC ACI G6D BGC 0.547945 0.785714
123 GLC G6D ADH GLC 0.547945 0.785714
124 GLC BGC BGC BGC 0.545455 1
125 BGC BGC BGC ASO BGC BGC ASO 0.545455 1
126 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
127 BGC BGC BGC 0.545455 1
128 BGC BGC BGC GLC BGC BGC 0.545455 1
129 BGC BGC BGC BGC BGC 0.545455 1
130 MAN MAN BMA 0.535714 1
131 NGA GLA GAL BGC 0.535211 0.733333
132 BMA MAN MAN 0.534483 1
133 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
134 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
135 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
136 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
137 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
138 GLA GAL GLC NBU 0.52459 0.846154
139 FUC BGC GAL 0.52459 0.970588
140 GLC ACI GLD GAL 0.519481 0.733333
141 GLC ACI G6D GLC 0.519481 0.733333
142 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.785714
143 GLC BGC BGC BGC XYS BGC XYS XYS 0.513514 0.916667
144 DOM 0.509091 0.942857
145 GAL GAL SO4 0.508197 0.702128
146 DMU 0.507937 0.785714
147 LMT 0.507937 0.785714
148 LMU 0.507937 0.785714
149 G2I 0.507937 0.767442
150 G3I 0.507937 0.767442
151 OXZ BGC BGC 0.507937 0.6875
152 UMQ 0.507937 0.785714
153 GLC AGL GLC HMC 0.506329 0.717391
154 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
155 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
156 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
157 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
158 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
159 NAG GAL GAL 0.5 0.733333
160 SOR GLC GLC 0.5 0.970588
161 GAL GAL GLC EMB MEC 0.5 0.622642
162 FMO 0.5 0.868421
163 MAN BMA NAG 0.5 0.733333
164 GLA GAL NAG 0.5 0.733333
165 8VZ 0.5 0.673469
166 GLC GLC ACI G6D GLC GLC 0.493827 0.733333
167 GLC GLC AGL HMC GLC 0.493827 0.733333
168 GLC GLC DAF BGC 0.493827 0.733333
169 AAO 0.493827 0.733333
170 ARE 0.493827 0.733333
171 ACR GLC GLC GLC 0.493827 0.733333
172 GLC GLC XYS 0.492308 0.970588
173 CGC 0.491525 0.941176
174 5QP 0.491228 0.885714
175 MDM 0.490909 0.942857
176 RZM 0.490909 0.688889
177 M13 0.490909 0.942857
178 GAL MBG 0.490909 0.942857
179 GLC GLC GLC G6D ADH GLC 0.487805 0.6875
180 BGC BGC G2F SHG 0.485714 0.846154
181 MAN NAG GAL 0.485294 0.733333
182 GAL NAG MAN 0.485294 0.733333
183 6UZ 0.484848 0.846154
184 SOR GLC GLC GLC 0.484848 0.970588
185 LAG 0.484848 0.6
186 MAN MNM 0.482759 0.75
187 GAL BGC NAG GAL 0.478873 0.733333
188 10M 0.477612 0.733333
189 GTM BGC BGC 0.477612 0.868421
190 MAN MAN MAN MAN 0.476923 1
191 MAN MAN BMA MAN 0.476923 1
192 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
193 NAG BMA 0.47619 0.653061
194 GAL NGA 0.47541 0.733333
195 GAL A2G 0.47541 0.733333
196 A2G GAL 0.47541 0.733333
197 BMA GLA 0.472727 1
198 LAK 0.472727 1
199 GAL GAL 0.472727 1
200 GLA GLC 0.472727 1
201 MLB 0.472727 1
202 GLA BMA 0.472727 1
203 BGC GLA 0.472727 1
204 MAN BMA 0.472727 1
205 GLA BGC 0.472727 1
206 NPJ 0.470588 0.622642
207 FUC GAL NAG GAL BGC 0.469136 0.717391
208 MAN MAN MAN GLC 0.46875 1
209 ABL 0.466667 0.702128
210 BMA FRU 0.465517 0.842105
211 FRU GAL 0.465517 0.842105
212 NOY BGC 0.465517 0.75
213 TM6 0.463768 0.916667
214 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
215 LSE 0.462687 0.6875
216 GLA GLA FUC 0.460317 0.970588
217 FUC GAL GLA 0.460317 0.970588
218 GAL GAL FUC 0.460317 0.970588
219 GLA GAL FUC 0.460317 0.970588
220 FUC GLA GLA 0.460317 0.970588
221 DAF BGC 0.458333 0.785714
222 DAF GLC 0.458333 0.785714
223 IFM BMA 0.457627 0.744186
224 BGC OXZ 0.457627 0.666667
225 IFM BGC 0.457627 0.744186
226 BMA IFM 0.457627 0.744186
227 9MR 0.457627 0.744186
228 GLO GLC GLC 0.457143 0.942857
229 RCB 0.457143 0.622642
230 GLC GLC GLC GLC GLC BGC 0.45614 1
231 GLC GLC GLC 0.45614 1
232 GLC GLC GLC GLC BGC 0.45614 1
233 MAN MAN MAN 0.45614 1
234 GLC 0.454545 0.848485
235 BMA 0.454545 0.848485
236 GXL 0.454545 0.848485
237 WOO 0.454545 0.848485
238 GIV 0.454545 0.848485
239 GAL 0.454545 0.848485
240 MAN 0.454545 0.848485
241 BGC 0.454545 0.848485
242 ALL 0.454545 0.848485
243 GLA 0.454545 0.848485
244 GLC GLC GLC GLC 0.453125 1
245 MGL SGC GLC GLC 0.450704 0.868421
246 CM5 0.450704 0.891892
247 MAN MAN MAN BMA MAN 0.450704 1
248 BGC BGC SGC MGL 0.450704 0.868421
249 GLC DMJ 0.45 0.727273
250 A2G GAL BGC FUC 0.45 0.717391
251 GLC GLC GLC PO4 SGC GLC 0.45 0.673469
252 NOJ GLC 0.45 0.727273
253 PA1 GCS 0.448276 0.804878
254 GCS GCS 0.448276 0.804878
255 M5S 0.447761 1
256 MAN BMA MAN MAN MAN 0.447761 1
257 GLC GLC XYS XYS 0.447761 0.914286
258 DAF BGC GLC 0.447368 0.785714
259 TXT 0.447368 0.767442
260 GAC 0.447368 0.767442
261 DAF GLC GLC 0.447368 0.785714
262 ACI GLD GLC GAL 0.447368 0.785714
263 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
264 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
265 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
266 NAG GAL GAL NAG GAL 0.445946 0.6875
267 NAG GAL GAL NAG 0.445946 0.6875
268 MA4 0.444444 0.891892
269 QV4 0.444444 0.733333
270 GLO GLC GLC GLC 0.444444 0.942857
271 MAN DGO 0.440678 0.914286
272 3SA 0.44 0.733333
273 Z6J 0.439024 0.742857
274 AHR 0.439024 0.742857
275 32O 0.439024 0.742857
276 FUB 0.439024 0.742857
277 RIB 0.439024 0.742857
278 T6P 0.438596 0.767442
279 GYP 0.4375 0.857143
280 AMG 0.4375 0.857143
281 MMA 0.4375 0.857143
282 MBG 0.4375 0.857143
283 4MU BGC BGC 0.434211 0.767442
284 ISX 0.433333 0.761905
285 MAN 7D1 0.431034 0.888889
286 QPS 0.43038 0.733333
287 ACR 0.43038 0.733333
288 4MU BGC BGC BGC BGC 0.428571 0.767442
289 GAL MGC 0.428571 0.702128
290 GAL NGA A2G 0.426471 0.673469
291 FUC NAG GAL 0.422535 0.717391
292 FUC NDG GAL 0.422535 0.717391
293 GAL NAG FUC 0.422535 0.717391
294 GAL NDG FUC 0.422535 0.717391
295 KHO 0.421053 0.888889
296 HMC AGL GLC 0.421053 0.717391
297 GCS GCS GCS GCS GCS 0.419355 0.804878
298 GCS GCS GCS GCS GCS GCS 0.419355 0.804878
299 GCS GCS GCS 0.419355 0.804878
300 GAL NAG GAL 0.418919 0.702128
301 GAL NGT 0.41791 0.66
302 P3M 0.41791 0.767442
303 NGT GAL 0.41791 0.66
304 ACR GLC GLC GLC GLC 0.417722 0.733333
305 ACR GLC 0.417722 0.733333
306 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
307 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
308 TUR 0.416667 0.842105
309 BTU 0.416667 0.842105
310 GLA MAN ABE 0.414286 0.916667
311 NAG NDG BMA 0.413333 0.634615
312 NAG NAG BMA 0.413333 0.634615
313 AHR AHR AHR 0.410714 0.857143
314 FUB AHR AHR 0.410714 0.857143
315 GLF B8D 0.409836 0.775
316 VAM 0.409836 0.868421
317 ACI G6D GLC ACI G6D BGC 0.409639 0.75
318 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.75
319 AC1 GLC AC1 BGC 0.409639 0.75
320 DAF GLC DAF GLC GLC 0.409639 0.75
321 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.75
322 ACI GLD GLC ACI G6D BGC 0.409639 0.75
323 MAN MMA MAN 0.409091 0.942857
324 AHR AHR 0.407407 0.857143
325 FUB AHR 0.407407 0.857143
326 NAG BMA MAN MAN MAN MAN 0.407407 0.733333
327 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.680851
328 4U0 0.406593 0.66
329 GLA MAN RAM ABE 0.405063 0.891892
330 BGC BGC SSG PIH 0.405063 0.767442
331 M1P 0.403846 0.697674
332 GL1 0.403846 0.697674
333 XGP 0.403846 0.697674
334 G1P 0.403846 0.697674
335 MAN IFM 0.403226 0.761905
336 GLC IFM 0.403226 0.761905
337 XZZ BGC BGC 0.402439 0.702128
338 ACG 0.402299 0.695652
339 FUC GAL 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3K8L; Ligand: CEY; Similar sites found: 49
This union binding pocket(no: 1) in the query (biounit: 3k8l.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WZF UDP 0.002267 0.45892 1.33333
2 3WO0 ALA 0.02562 0.40454 1.48936
3 4YZ5 DAN 0.01138 0.4015 1.49477
4 5NTD BES 0.03022 0.40171 1.72745
5 5THY SAH 0.006432 0.41197 1.7284
6 3RM4 3RM 0.03784 0.40923 1.77215
7 2ZWA SAH 0.003423 0.45829 1.79372
8 2V0C ANZ 0.006532 0.42777 1.9432
9 3OZV ECN 0.0234 0.41445 1.98511
10 5JSD ACY 1GN GAL 1GN BGC ACY GAL BGC 0.0202 0.41097 2.24215
11 3HIY UTP 0.02474 0.4041 2.34375
12 1ZSQ PIB 0.02943 0.405 2.46212
13 5KOK SAH 0.03783 0.40137 2.51889
14 5EZ7 FAD 0.01492 0.44651 2.55102
15 1RJD SAM 0.01278 0.42781 2.69461
16 4A6D SAM 0.01119 0.42563 3.11615
17 5GVL GI8 0.01986 0.42764 3.61991
18 5GVL PLG 0.01986 0.42764 3.61991
19 4UAC ACR 0.02576 0.40677 3.75
20 5HMY LNY 0.02187 0.42048 3.77953
21 4GCS 1RG 0.006928 0.41291 3.81232
22 4R6W PC 0.0118 0.439 3.87597
23 4R6W SAH 0.0101 0.42378 3.87597
24 3HAV SRY 0.009485 0.40371 4.01338
25 4QJP V1F 0.02301 0.40941 4.18251
26 1O5R FR9 0.01784 0.42132 4.21348
27 2EFJ SAH 0.02057 0.40977 4.42708
28 2CET PGI 0.03392 0.40032 4.48718
29 3WQV GCS GCS GCS GCS GCS 0.02789 0.40565 4.81013
30 1KUV CA5 0.04854 0.40703 4.83092
31 4U9W COA 0.01751 0.40319 4.83092
32 2V6K TGG 0.04461 0.40244 5.60748
33 4WQ2 3SU 0.005074 0.44255 5.78035
34 3FAL LO2 0.02277 0.41604 5.78512
35 2GAG FOA 0.04254 0.40109 6.06061
36 2GAG FAD 0.04254 0.40109 6.06061
37 2P8U COA 0.02062 0.40836 6.06695
38 1MZC FPP 0.01921 0.44201 6.28272
39 1MZC BNE 0.01921 0.44201 6.28272
40 1TB6 GU4 GU6 GU0 GU5 GU8 GU9 GU8 GU9 GU8 GU9 GU8 GU5 GU1 GU6 GU2 GU3 0.006532 0.40057 6.71296
41 3O26 NDP 0.0473 0.40456 6.75241
42 4V3C C 0.007693 0.42645 6.95876
43 5L7G 6QE 0.01027 0.41463 8.66966
44 5BVT PAM 0.01679 0.40479 8.95522
45 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.03297 0.41943 9.15751
46 2JEN GLC GLC BGC XYS BGC XYS 0.01602 0.42637 9.1954
47 1NWU NAG NAG NAG NDG 0.03534 0.41389 9.66851
48 3KCG NTP 0.005315 0.40253 13.1915
49 3QKD HI0 0.006319 0.43484 14.9171
Pocket No.: 2; Query (leader) PDB : 3K8L; Ligand: MT7; Similar sites found: 40
This union binding pocket(no: 2) in the query (biounit: 3k8l.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4S3R 7SA 0.002107 0.41326 2.54111
2 2FHF GLC GLC GLC GLC 0.001403 0.40542 3.28849
3 4W93 3L9 0.0002703 0.44771 4.6371
4 1JDC GLC GLC GLC GLC 0.0002018 0.41545 5.36131
5 4A7W GTP 0.02627 0.40964 5.41667
6 2GDV BGC 0.00001203 0.44495 5.95238
7 1PIG AGL GLC HMC AGL GLC BGC 0.0002028 0.45679 6.12855
8 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.00003484 0.48366 6.6778
9 4U31 MVP 0.0003101 0.44541 7.17423
10 2GJP BGC GLC DAF GLC GLC GLC DAF 0.000007312 0.53955 7.2165
11 1QHO ABD 0.0000001478 0.56145 7.32436
12 3UER BTU 0.0000003746 0.46514 8.24428
13 3EDF CE6 0.0000003614 0.50971 8.31947
14 3EDF ACX 0.0000002159 0.50963 8.31947
15 1JG9 GLC 0.00004533 0.40133 8.59873
16 2D3N GLC 0.00002266 0.49249 8.65979
17 2D3N GLC GLC GLC GLC 0.00003193 0.49249 8.65979
18 2D3N GLC GLC GLC GLC GLC GLC 0.00002706 0.49249 8.65979
19 3BMW GLC GLC G6D ACI GLC GLC GLC 0.0000001638 0.51876 8.66966
20 3CZG GLC 0.00004731 0.40334 8.69565
21 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.0001195 0.4629 8.90269
22 1UA7 ACI GLD GLC ACI G6D BGC 0.00002704 0.49797 9.00474
23 1J0I GLC GLC GLC 0.00000005787 0.47386 9.52381
24 8CGT TM6 0.0000009142 0.50316 10.0149
25 1UKQ GLC ACI G6D GLC 0.000002854 0.49735 10.0149
26 1G94 DAF GLC DAF GLC GLC 0.00001651 0.46447 10.0446
27 1VB9 GLC GLC GLC GLC GLC GLC 0.0000001913 0.50225 10.2564
28 2CXG GLC G6D ACI GLC 0.000003101 0.52614 10.3139
29 5A2B MAL 0.0000002926 0.44587 11.67
30 2GVY GLC GLC 0.0000001115 0.45223 11.7155
31 1UH4 GLC GLC GLC 0.0000009441 0.51916 12.8728
32 4E2O ACI G6D GLC ACI G6D BGC 0.00000004683 0.65554 13.4361
33 3AXI GLC 0.00005522 0.42049 14.0917
34 2ZID GLC GLC GLC 0.00001195 0.43308 14.3646
35 2PWG CTS 0.0000271 0.43369 14.7482
36 5DO8 BGC 0.00001454 0.40324 14.7748
37 4HPH SUC 0.000005961 0.43414 14.8479
38 3GBE NOJ 0.0000008069 0.41257 15.5914
39 1LWJ ACG 0.0000001098 0.52255 17.2336
40 3WY2 BGC 0.000004067 0.45901 47.7695
Pocket No.: 3; Query (leader) PDB : 3K8L; Ligand: CEX; Similar sites found: 13
This union binding pocket(no: 3) in the query (biounit: 3k8l.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FHF GLC GLC 0.00003628 0.43448 3.28849
2 3UYK 0CX 0.04753 0.41143 3.35917
3 2RFZ CTR 0.01899 0.41488 3.48837
4 1LVL NAD 0.04478 0.40458 4.58515
5 3ZQ6 ADP ALF 0.03474 0.40416 5.24691
6 2HGS ADP 0.02094 0.41495 5.6962
7 2WOJ ADP ALF 0.03592 0.40174 6.49718
8 4XTR ADP 0.009713 0.42974 6.52174
9 2J73 GLC GLC GLC GLC 0.0008554 0.4534 7.76699
10 2J73 GLC GLC GLC 0.001075 0.45006 7.76699
11 5LOG SAH 0.004147 0.44465 9.01288
12 1OMZ UD2 0.02104 0.40044 10.9215
13 1RC0 KT5 0.0116 0.43241 17.2249
Pocket No.: 4; Query (leader) PDB : 3K8L; Ligand: CEX; Similar sites found: 22
This union binding pocket(no: 4) in the query (biounit: 3k8l.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DN9 NAD 0.03194 0.40655 2.1978
2 1QX4 FAD 0.04313 0.40847 2.55474
3 3RI1 3RH 0.002997 0.45418 2.55591
4 5HES 032 0.02595 0.41378 2.9316
5 1MS9 LAT 0.01516 0.41564 3.08642
6 4CD6 IFM BMA 0.00534 0.41473 3.125
7 3CBG SAH 0.01438 0.41743 3.44828
8 1G0N PHH 0.04507 0.40804 3.53357
9 5BUK FAD 0.04877 0.40265 3.55556
10 2HNK SAH 0.0176 0.41678 3.76569
11 3VCY UD1 0.02256 0.40086 4.18605
12 3IOI 1GW 0.03799 0.40264 4.36242
13 2TCL RO4 0.01266 0.40863 5.91716
14 3DUW SAH 0.01934 0.41607 6.27803
15 9LDT NAD 0.03037 0.40034 6.62651
16 4UIN QI9 0.01674 0.41565 6.66667
17 2J44 GLC GLC GLC 0.0008189 0.40795 6.91244
18 2QPU QPU 0.01364 0.41468 8.39506
19 1F3L SAH 0.04962 0.40274 8.72274
20 2IGA XX3 0.01649 0.40248 10.137
21 4TW7 37K 0.03177 0.40396 12.5
22 2VOH CIT 0.006546 0.42495 13.3758
Pocket No.: 5; Query (leader) PDB : 3K8L; Ligand: CEY; Similar sites found: 39
This union binding pocket(no: 5) in the query (biounit: 3k8l.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4S3R 7SA 0.0006036 0.45087 2.54111
2 2FHF GLC GLC GLC GLC 0.0004328 0.44752 3.28849
3 3KLL MAL 0.00327 0.42117 3.28849
4 4W93 3L9 0.00008899 0.48591 4.6371
5 1JDC GLC GLC GLC GLC 0.0001308 0.45387 5.36131
6 2GDV BGC 0.00001337 0.4779 5.95238
7 1PIG AGL GLC HMC AGL GLC BGC 0.0000735 0.4939 6.12855
8 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.00002515 0.51066 6.6778
9 4U31 MVP 0.0001259 0.47957 7.17423
10 2GJP BGC GLC DAF GLC GLC GLC DAF 0.000005425 0.56882 7.2165
11 1QHO ABD 0.00000003059 0.62272 7.32436
12 3UER BTU 0.0000004534 0.50422 8.24428
13 3EDF CE6 0.0000001852 0.56562 8.31947
14 3EDF ACX 0.0000001149 0.56513 8.31947
15 2D3N GLC GLC GLC GLC GLC GLC 0.00001341 0.52694 8.65979
16 2D3N GLC GLC GLC GLC 0.00001568 0.52694 8.65979
17 2D3N GLC 0.00001133 0.52694 8.65979
18 3BMW GLC GLC G6D ACI GLC GLC GLC 0.0000000918 0.57644 8.66966
19 3CZG GLC 0.00003332 0.43446 8.69565
20 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.00003411 0.50506 8.90269
21 1UA7 ACI GLD GLC ACI G6D BGC 0.00001374 0.49661 9.00474
22 1J0I GLC GLC GLC 0.00000004726 0.52054 9.52381
23 8CGT TM6 0.000000424 0.55897 10.0149
24 1UKQ GLC ACI G6D GLC 0.000001215 0.54979 10.0149
25 1G94 DAF GLC DAF GLC GLC 0.00001398 0.50435 10.0446
26 1VB9 GLC GLC GLC GLC GLC GLC 0.0000001253 0.55501 10.2564
27 2CXG GLC G6D ACI GLC 0.0000004207 0.5877 10.3139
28 5A2B MAL 0.0000001846 0.49189 11.67
29 2GVY GLC GLC 0.00000006905 0.49851 11.7155
30 1UH4 GLC GLC GLC 0.0000003662 0.57346 12.8728
31 4E2O ACI G6D GLC ACI G6D BGC 0.00000002794 0.65286 13.4361
32 3AXI GLC 0.00005406 0.45184 14.0917
33 2ZID GLC GLC GLC 0.000009958 0.47071 14.3646
34 2PWG CTS 0.00002454 0.46884 14.7482
35 5DO8 BGC 0.00001063 0.43675 14.7748
36 4HPH SUC 0.000004495 0.47336 14.8479
37 3GBE NOJ 0.0000005979 0.45033 15.5914
38 1LWJ ACG 0.0000001631 0.56047 17.2336
39 3WY2 BGC 0.000003346 0.50123 47.7695
Pocket No.: 6; Query (leader) PDB : 3K8L; Ligand: CEY; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3k8l.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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