Receptor
PDB id Resolution Class Description Source Keywords
2OVW 2.3 Å EC: 3.2.1.4 ENDOGLUCANASE I COMPLEXED WITH CELLOBIOSE FUSARIUM OXYSPORUM GLYCOSYL HYDROLASE ENDOGLUCANASE I COMPLEXED WITH CELLOBIOGLYCOSYLATED PROTEIN HYDROLASE
Ref.: STRUCTURE OF THE ENDOGLUCANASE I FROM FUSARIUM OXYS NATIVE, CELLOBIOSE, AND 3,4-EPOXYBUTYL BETA-D-CELLOBIOSIDE-INHIBITED FORMS, AT 2.3 A RESOL BIOCHEMISTRY V. 36 5902 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CBI A:414;
B:414;
C:414;
D:414;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
342.296 C12 H22 O11 C([C@...
NAG A:412;
A:413;
B:412;
B:413;
C:412;
C:413;
D:412;
D:413;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OVW 2.3 Å EC: 3.2.1.4 ENDOGLUCANASE I COMPLEXED WITH CELLOBIOSE FUSARIUM OXYSPORUM GLYCOSYL HYDROLASE ENDOGLUCANASE I COMPLEXED WITH CELLOBIOGLYCOSYLATED PROTEIN HYDROLASE
Ref.: STRUCTURE OF THE ENDOGLUCANASE I FROM FUSARIUM OXYS NATIVE, CELLOBIOSE, AND 3,4-EPOXYBUTYL BETA-D-CELLOBIOSIDE-INHIBITED FORMS, AT 2.3 A RESOL BIOCHEMISTRY V. 36 5902 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 2OVW - CBI C12 H22 O11 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 37 families.
1 2OVW - CBI C12 H22 O11 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 2OVW - CBI C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CBI; 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 : 2OVW; Ligand: CBI; Similar sites found: 117
This union binding pocket(no: 1) in the query (biounit: 2ovw.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZSI GLP 0.0004809 0.48322 None
2 3FW4 CAQ 0.01882 0.41632 1.1236
3 3AGC RCC 0.01182 0.42836 1.44928
4 3ACL 3F1 0.01121 0.41447 1.68919
5 2Z81 PCJ 0.02943 0.40867 1.70316
6 4MP8 NAD 0.02384 0.42355 1.76991
7 4OMJ 2TX 0.03009 0.41286 1.79856
8 3FW9 SLX 0.001292 0.46612 1.94647
9 3LVW GSH 0.04808 0.40485 1.94647
10 4WVW SLT 0.008145 0.41637 2.08333
11 1IMB LIP 0.01729 0.40292 2.16606
12 4FHD EEM 0.01208 0.43302 2.17391
13 4FHD 0TT 0.01208 0.43302 2.17391
14 5MEX SZZ 0.03373 0.4143 2.18978
15 3MF2 AMP 0.007546 0.43247 2.31214
16 2C49 ADN 0.01788 0.40617 2.31788
17 4O9S 2RY 0.004521 0.44881 2.32558
18 5VEO AMP 0.01679 0.40561 2.43309
19 4CPZ ZMR 0.01746 0.40475 2.43309
20 1UR4 B2G 0.02888 0.40219 2.50627
21 4QDC ASD 0.001901 0.45325 2.5641
22 1T27 PCW 0.01346 0.44096 2.58303
23 2A1L PCW 0.02404 0.42792 2.59259
24 1Y0G 8PP 0.01635 0.43631 2.6178
25 1ERB ETR 0.01885 0.41765 2.73224
26 3PQB VGP 0.005332 0.43852 2.79441
27 1OLM VTQ 0.03668 0.40098 2.97767
28 3VNM SDD 0.02017 0.4035 3.07167
29 2TPS TPS 0.01364 0.42368 3.0837
30 2QUN FUD 0.01636 0.40619 3.10345
31 5IXH OTP 0.02807 0.42332 3.10559
32 4GCZ FMN 0.002734 0.44957 3.11688
33 4JAW GAL NGT 0.005696 0.42231 3.16302
34 2E9L BGC 0.02552 0.42193 3.16302
35 2GC0 PAN 0.0009895 0.4698 3.19149
36 1UNB PN1 0.02383 0.41602 3.21543
37 1UNB AKG 0.03651 0.40365 3.21543
38 4REI 3MV 0.004405 0.42387 3.31126
39 1WUB OTP 0.04189 0.41363 3.37079
40 4BG4 ADP 0.01455 0.41071 3.37079
41 2XIQ MLC 0.0234 0.41523 3.40633
42 5LRT ADP 0.0308 0.40364 3.64964
43 3B00 16A 0.00003697 0.52999 3.67647
44 1J3R 6PG 0.0009663 0.46026 3.68421
45 3WDX BGC BGC GLC 0.00009494 0.42483 3.69128
46 5T7I LAT NAG GAL 0.0115 0.40225 3.87097
47 3IS2 FAD 0.007467 0.44026 3.8961
48 1URX AAL GAL AAL GLA 0.0005088 0.47947 3.90071
49 2R5V HHH 0.004677 0.42902 3.92157
50 1H8S AIC 0.01097 0.40574 3.96825
51 1WF3 GNP 0.02946 0.40603 3.98671
52 3D72 FAD 0.01128 0.43339 4.02685
53 4U0W 16G 0.0006176 0.40869 4.06504
54 4WOE ADP 0.01155 0.40416 4.13625
55 1ZB6 DIN 0.01507 0.42413 4.23453
56 2DIO EOD 0.01533 0.40555 4.25532
57 2Z77 HE7 0.005476 0.44133 4.31655
58 2GJ5 VD3 0.0255 0.42096 4.32099
59 2UVF AD0 0.004035 0.42969 4.37956
60 2CET PGI 0.01737 0.41673 4.37956
61 1C1L GAL BGC 0.01102 0.4067 4.37956
62 4PSB GA3 0.046 0.40389 4.51613
63 5H9Q TD2 0.004278 0.40186 4.51613
64 4D1J DGJ 0.0006165 0.44074 4.62287
65 2Z6C FMN 0.006288 0.43117 4.65116
66 4Q3S X7A 0.01242 0.41014 4.67532
67 5GM9 CBK 0.03649 0.40607 4.69484
68 1G42 CP2 0.006608 0.42157 4.72973
69 2QZ3 XYP XYP XYP 0.02126 0.40754 4.86486
70 2O9R TCB 0.01845 0.40354 4.86618
71 3PFG TLO 0.04336 0.41194 4.94297
72 3RGA LSB 0.0129 0.41139 4.947
73 5K21 6QF 0.003588 0.43221 4.96454
74 4MNS 2AX 0.009105 0.45475 5.03145
75 3WG3 A2G GAL NAG FUC 0.001643 0.43382 5.05618
76 1LN1 DLP 0.02215 0.42005 5.14019
77 5MY8 RXZ 0.03581 0.40018 5.22193
78 1OPB RET 0.01439 0.41284 5.22388
79 3ZXE PGZ 0.003755 0.4068 5.26316
80 1ZM1 BGC BGC BGC 0.0000071 0.57509 5.39419
81 2ZHL NAG GAL GAL NAG 0.004196 0.40423 5.40541
82 3N0Y APC 0.004916 0.44376 5.58659
83 4XIZ LPP 0.03327 0.41049 5.71429
84 2Y88 2ER 0.00396 0.46377 5.7377
85 3M3R BCD 0.0409 0.41157 5.80205
86 4Y24 TD2 0.01581 0.4004 5.84416
87 2YAK OSV 0.03221 0.4078 5.96491
88 1MEX RAC 0.005345 0.42367 6.04651
89 1U0A BGC BGC BGC BGC 0.000007441 0.57407 6.07477
90 4IEN GDP 0.02259 0.40099 6.13497
91 1ODM ASV 0.03066 0.40375 6.34441
92 1KJ1 MAN 0.01095 0.40182 6.42202
93 4R38 RBF 0.01277 0.41728 6.42857
94 3OYW TDG 0.0111 0.40281 6.71642
95 1KGI T4A 0.004966 0.44353 7.08661
96 1LSH PLD 0.0362 0.40507 7.21003
97 5I8T LAC 0.008187 0.40924 7.82123
98 4HIA FMN 0.01146 0.43774 8.52273
99 4Q0L V14 0.0369 0.40084 8.74525
100 1KQW RTL 0.02207 0.4015 8.95522
101 4WN5 MVC 0.01332 0.41805 9.56522
102 1N5S ADL 0.0009005 0.46954 9.82143
103 2AGC DAO 0.0024 0.43805 9.87654
104 4H6B 10X 0.013 0.40694 10.7692
105 4H6B 10Y 0.01176 0.40676 10.7692
106 2QO4 CHD 0.02019 0.41866 11.1111
107 3W8X FTK 0.003347 0.43624 11.4355
108 5A65 TPP 0.01437 0.41286 11.9816
109 5F3I 5UJ 0.0149 0.4467 12.2222
110 2E56 MYR 0.03181 0.40928 12.5
111 3H7J PPY 0.01605 0.40454 13.5802
112 4BPZ GLC BGC BGC 0.00006761 0.497 14.8438
113 2Z6D FMN 0.02187 0.40353 16.1538
114 4BX7 B4F 0.03838 0.40124 17.2932
115 3VQ2 LP4 LP5 MYR DAO 0.01414 0.43979 21.5278
116 4HAP CBI 0.000658 0.46551 48.1752
117 4IPM TCB 0.008966 0.40731 48.1752
Pocket No.: 2; Query (leader) PDB : 2OVW; Ligand: CBI; Similar sites found: 28
This union binding pocket(no: 2) in the query (biounit: 2ovw.bio3) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZSI 4R1 0.0124 0.40773 None
2 2C42 PYR 0.03643 0.4022 1.45985
3 4QGE 35O 0.007285 0.41906 1.70316
4 3NZ1 3NY 0.0114 0.40822 2.29885
5 5A3T MMK 0.001081 0.48151 2.43309
6 2AGD UDH 0.008505 0.43515 2.78746
7 1GP6 SIN 0.009861 0.42492 2.80899
8 1GP6 QUE 0.01054 0.42492 2.80899
9 2P6W FLC 0.009214 0.40967 2.8169
10 4JAW NGT GAL 0.002101 0.44316 3.16302
11 1SDW IYT 0.002915 0.41403 3.82166
12 2YG2 FLC 0.02647 0.4044 4.06977
13 2YG2 S1P 0.02405 0.40218 4.06977
14 1ZB6 GST 0.01482 0.42138 4.23453
15 1JYL CDC 0.02382 0.40082 4.72441
16 1GQG DCD 0.01576 0.41149 4.85714
17 3WUC GLC GAL 0.02128 0.40488 5.10949
18 3V91 UPG 0.0208 0.40538 5.49828
19 4L9Z COA 0.03586 0.40369 5.8997
20 4L9Z OXL 0.03412 0.40369 5.8997
21 3G08 FEE 0.03535 0.42151 6.06061
22 3RUG DB6 0.04613 0.40916 6.06061
23 3U2U UDP 0.01145 0.43088 6.08365
24 2VUT NAD 0.01987 0.40479 13.9535
25 4H2V AMP 0.00972 0.42042 14.5455
26 4RFR RHN 0.0198 0.40147 14.7783
27 5IXG OTP 0.03647 0.41556 14.7929
28 3JRS A8S 0.01909 0.40567 16.3462
Pocket No.: 3; Query (leader) PDB : 2OVW; Ligand: CBI; Similar sites found: 8
This union binding pocket(no: 3) in the query (biounit: 2ovw.bio4) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5A5W GUO 0.03789 0.41043 2.7668
2 3KOX Z98 0.01729 0.40062 3.30579
3 1M7Y PPG 0.03843 0.40097 3.64964
4 1GT4 UNA 0.001032 0.46059 5.03145
5 2AMT GPP 0.01908 0.41171 5.66038
6 1DQX BMP 0.01356 0.4148 5.99251
7 4EES FMN 0.01537 0.40872 6.95652
8 2WQP WQP 0.02701 0.40528 8.30946
Pocket No.: 4; Query (leader) PDB : 2OVW; Ligand: CBI; Similar sites found: 6
This union binding pocket(no: 4) in the query (biounit: 2ovw.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CKJ CIT 0.009851 0.42785 3.03951
2 3R5T VBN 0.004914 0.43154 5.57377
3 1YRO GDU 0.006996 0.44772 5.69106
4 2YMZ LAT 0.00943 0.40673 8.46154
5 4BJ8 BTN 0.01337 0.40611 8.73016
6 3STD MQ0 0.01936 0.40997 9.09091
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