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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 40 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 38 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 29 families.
1 2OVW - CBI C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CBI; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GLA 1 1
2 GAL BGC 1 1
3 GLC GAL 1 1
4 BMA GAL 1 1
5 LBT 1 1
6 BGC GAL 1 1
7 CBI 1 1
8 MAL 1 1
9 CBK 1 1
10 BGC BMA 1 1
11 N9S 1 1
12 MAB 1 1
13 LAT 1 1
14 GLA GAL 1 1
15 B2G 1 1
16 BMA BMA BMA 0.909091 1
17 GLA GAL GLC 0.909091 1
18 GLC BGC BGC 0.909091 1
19 GLC BGC BGC BGC 0.909091 1
20 GLC GLC GLC GLC GLC 0.909091 1
21 CT3 0.909091 1
22 BGC GLC GLC GLC 0.909091 1
23 BGC BGC BGC BGC 0.909091 1
24 CTT 0.909091 1
25 CTR 0.909091 1
26 GLC GAL GAL 0.909091 1
27 MAN BMA BMA BMA BMA BMA 0.909091 1
28 BGC BGC BGC GLC 0.909091 1
29 CEY 0.909091 1
30 B4G 0.909091 1
31 BGC BGC BGC 0.909091 1
32 GLC GLC BGC 0.909091 1
33 CE5 0.909091 1
34 BGC BGC BGC BGC BGC BGC 0.909091 1
35 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
36 BMA BMA BMA BMA BMA BMA 0.909091 1
37 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
38 GLA GAL BGC 0.909091 1
39 MLR 0.909091 1
40 MAN BMA BMA 0.909091 1
41 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
42 BMA BMA BMA BMA BMA 0.909091 1
43 BGC BGC GLC 0.909091 1
44 MAN MAN BMA BMA BMA BMA 0.909091 1
45 BGC GLC GLC 0.909091 1
46 BGC BGC BGC BGC BGC 0.909091 1
47 MT7 0.909091 1
48 GLC BGC BGC BGC BGC 0.909091 1
49 CE6 0.909091 1
50 MTT 0.909091 1
51 CE8 0.909091 1
52 MAN BMA BMA BMA BMA 0.909091 1
53 GLC BGC GLC 0.909091 1
54 DXI 0.909091 1
55 GLC BGC BGC BGC BGC BGC 0.909091 1
56 CEX 0.909091 1
57 GAL GAL GAL 0.909091 1
58 BMA MAN BMA 0.909091 1
59 BGC GLC GLC GLC GLC 0.909091 1
60 GLA GAL GAL 0.816327 1
61 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
62 BMA BMA GLA BMA BMA 0.689655 1
63 XYT 0.685185 0.767442
64 LAT GLA 0.680851 1
65 GLC GLC GLC BGC 0.672414 1
66 U63 0.647059 0.891892
67 MMA MAN 0.64 0.942857
68 DR5 0.64 0.942857
69 GLA EGA 0.634615 0.942857
70 GAL FUC 0.615385 0.941176
71 2M4 0.612245 1
72 BGC GAL FUC 0.610169 0.970588
73 FUC GAL GLC 0.610169 0.970588
74 8B7 0.610169 0.970588
75 GLC GAL FUC 0.610169 0.970588
76 LAT FUC 0.610169 0.970588
77 BGC GLA GAL FUC 0.609375 0.970588
78 BQZ 0.608696 0.909091
79 BGC GAL NAG GAL 0.606061 0.733333
80 GAL NAG GAL GLC 0.606061 0.733333
81 BMA BMA BMA BMA 0.603448 0.941176
82 M3M 0.6 1
83 LB2 0.6 1
84 NGR 0.6 1
85 MAN GLC 0.6 1
86 MAL EDO 0.592593 0.942857
87 BGC BGC BGC XYS GAL 0.588235 0.942857
88 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
89 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
90 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
91 LAT NAG GAL 0.588235 0.733333
92 GLC GAL NAG GAL 0.588235 0.733333
93 NGA GAL BGC 0.587302 0.733333
94 TRE 0.581395 1
95 ABD 0.57971 0.75
96 NLC 0.578947 0.733333
97 NDG GAL 0.578947 0.733333
98 GAL NDG 0.578947 0.733333
99 5GO 0.578947 0.66
100 DEL 0.574074 0.970588
101 MVP 0.571429 0.733333
102 GAL NGA GLA BGC GAL 0.571429 0.733333
103 GAL BGC BGC XYS 0.569231 0.942857
104 SGA BGC 0.568965 0.66
105 BGC BGC 0.566038 0.914286
106 BMA BMA 0.566038 0.914286
107 GLC GLC XYP 0.557377 1
108 BGC BGC XYS BGC 0.552239 0.942857
109 NAG GAL BGC 0.552239 0.733333
110 GLA GAL BGC 5VQ 0.551724 0.891892
111 G2F BGC BGC BGC BGC BGC 0.55 0.868421
112 GLA MBG 0.54902 0.942857
113 GLC ACI G6D BGC 0.547945 0.733333
114 GLC G6D ACI GLC 0.547945 0.733333
115 GLC ACI GLD GLC 0.547945 0.733333
116 GLC G6D ADH GLC 0.547945 0.733333
117 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
118 BGC BGC BGC GLC BGC BGC 0.545455 1
119 BMA BMA MAN 0.535714 1
120 MAN MAN BMA 0.535714 1
121 NGA GLA GAL BGC 0.535211 0.733333
122 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
123 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
124 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
125 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
126 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
127 BMA MAN MAN MAN 0.525424 1
128 GLA GAL GLC NBU 0.52459 0.846154
129 FUC BGC GAL 0.52459 0.970588
130 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.733333
131 GLC ACI GLD GAL 0.519481 0.702128
132 GLC ACI G6D GLC 0.519481 0.702128
133 BGC BGC BGC FRU 0.516129 0.868421
134 DOM 0.509091 0.942857
135 G3I 0.507937 0.767442
136 LMU 0.507937 0.785714
137 DMU 0.507937 0.785714
138 UMQ 0.507937 0.785714
139 OXZ BGC BGC 0.507937 0.6875
140 G2I 0.507937 0.767442
141 LMT 0.507937 0.785714
142 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
143 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
144 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
145 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
146 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
147 FMO 0.5 0.868421
148 MAN BMA NAG 0.5 0.733333
149 SOR GLC GLC 0.5 0.970588
150 GLA GAL NAG 0.5 0.733333
151 8VZ 0.5 0.673469
152 ACR GLC GLC GLC 0.493827 0.702128
153 GLC GLC DAF BGC 0.493827 0.702128
154 GLC GLC ACI G6D GLC GLC 0.493827 0.702128
155 ARE 0.493827 0.733333
156 GLC GLC AGL HMC GLC 0.493827 0.702128
157 AAO 0.493827 0.733333
158 GLC GLC XYS 0.492308 0.970588
159 MAN BMA MAN 0.491803 1
160 CGC 0.491525 0.941176
161 5QP 0.491228 0.885714
162 GAL MBG 0.490909 0.942857
163 MDM 0.490909 0.942857
164 RZM 0.490909 0.688889
165 M13 0.490909 0.942857
166 GAL NAG MAN 0.485294 0.733333
167 SOR GLC GLC GLC 0.484848 0.970588
168 GLO GLC GLC GLC 0.484848 0.970588
169 6UZ 0.484848 0.846154
170 LAG 0.484848 0.6
171 GAL BGC NAG GAL 0.478873 0.733333
172 GTM BGC BGC 0.477612 0.868421
173 10M 0.477612 0.733333
174 MAN MAN MAN MAN 0.476923 1
175 MAN MAN BMA MAN 0.476923 1
176 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
177 GAL GAL SO4 0.47619 0.66
178 NAG BMA 0.47619 0.653061
179 GAL NGA 0.47541 0.733333
180 A2G GAL 0.47541 0.733333
181 GAL A2G 0.47541 0.733333
182 GLA BMA 0.472727 1
183 GLC BGC 0.472727 1
184 GAL GAL 0.472727 1
185 GLA GLC 0.472727 1
186 BGC GLA 0.472727 1
187 GAL GLC 0.472727 1
188 GLA BGC 0.472727 1
189 BMA GLA 0.472727 1
190 BMA MAN 0.472727 1
191 MAN MAN 0.472727 1
192 BGC GLC 0.472727 1
193 MLB 0.472727 1
194 GLC GLC 0.472727 1
195 MAN BMA 0.472727 1
196 LAK 0.472727 1
197 NPJ 0.470588 0.622642
198 FUC GAL NAG GAL BGC 0.469136 0.717391
199 GAL GLC NAG GAL FUC 0.469136 0.717391
200 GLC NAG GAL GAL FUC 0.469136 0.717391
201 MAN MAN MAN GLC 0.46875 1
202 ABL 0.466667 0.702128
203 FRU GAL 0.465517 0.842105
204 BMA FRU 0.465517 0.842105
205 DAF BGC 0.464789 0.733333
206 DAF GLC 0.464789 0.733333
207 TM6 0.463768 0.916667
208 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
209 LSE 0.462687 0.6875
210 FUC GLA GLA 0.460317 0.970588
211 GAL GAL FUC 0.460317 0.970588
212 FUC GAL GLA 0.460317 0.970588
213 GLA GLA FUC 0.460317 0.970588
214 GLA GAL FUC 0.460317 0.970588
215 IFM BMA 0.457627 0.711111
216 9MR 0.457627 0.744186
217 IFM BGC 0.457627 0.711111
218 BMA IFM 0.457627 0.711111
219 BGC OXZ 0.457627 0.666667
220 RCB 0.457143 0.622642
221 GLO GLC GLC 0.457143 0.942857
222 MAN MAN MAN 0.45614 1
223 GLC GLC GLC GLC BGC 0.45614 1
224 GLC GLC GLC GLC GLC BGC 0.45614 1
225 BMA MAN MAN 0.45614 1
226 GLC GLC GLC 0.45614 1
227 WOO 0.454545 0.848485
228 GIV 0.454545 0.848485
229 BGC 0.454545 0.848485
230 ALL 0.454545 0.848485
231 GAL 0.454545 0.848485
232 GLA 0.454545 0.848485
233 GLC 0.454545 0.848485
234 GXL 0.454545 0.848485
235 BMA 0.454545 0.848485
236 MAN 0.454545 0.848485
237 ACI GLD GLC GAL 0.453333 0.733333
238 DAF BGC GLC 0.453333 0.733333
239 DAF GLC GLC 0.453333 0.733333
240 MGL SGC BGC BGC 0.450704 0.868421
241 MGL SGC GLC GLC 0.450704 0.868421
242 CM5 0.450704 0.891892
243 MAN MAN MAN BMA MAN 0.450704 1
244 BGC BGC SGC MGL 0.450704 0.868421
245 MAN MNM 0.45 0.702128
246 GLC DMJ 0.45 0.695652
247 A2G GAL BGC FUC 0.45 0.717391
248 NOJ GLC 0.45 0.695652
249 NOY BGC 0.45 0.702128
250 BMA MAN MAN MAN MAN 0.449275 1
251 GCS GCS 0.448276 0.767442
252 PA1 GCS 0.448276 0.767442
253 M5S 0.447761 1
254 MAN BMA MAN MAN MAN 0.447761 1
255 TXT 0.447368 0.767442
256 GAC 0.447368 0.767442
257 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
258 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
259 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
260 NAG GAL GAL NAG GAL 0.445946 0.6875
261 NAG GAL GAL NAG 0.445946 0.6875
262 MA4 0.444444 0.891892
263 QV4 0.444444 0.733333
264 MAN DGO 0.440678 0.914286
265 3SA 0.44 0.733333
266 Z6J 0.439024 0.742857
267 GLC GLC GLC PO4 SGC GLC 0.439024 0.66
268 AHR 0.439024 0.742857
269 RIB 0.439024 0.742857
270 FUB 0.439024 0.742857
271 32O 0.439024 0.742857
272 T6P 0.438596 0.767442
273 MMA 0.4375 0.857143
274 MBG 0.4375 0.857143
275 GYP 0.4375 0.857143
276 AMG 0.4375 0.857143
277 MAN G63 0.435484 0.653061
278 GDQ GLC 0.435484 0.666667
279 4MU BGC BGC 0.434211 0.767442
280 ISX 0.433333 0.761905
281 MAN 7D1 0.431034 0.888889
282 ACR 0.43038 0.733333
283 QPS 0.43038 0.733333
284 GAL MGC 0.428571 0.702128
285 4MU BGC BGC BGC BGC 0.428571 0.767442
286 GAL NDG FUC 0.422535 0.717391
287 FUC NDG GAL 0.422535 0.717391
288 HMC AGL GLC 0.421053 0.717391
289 KHO 0.421053 0.888889
290 GCS GCS GCS 0.419355 0.767442
291 GCS GCS GCS GCS GCS 0.419355 0.767442
292 GCS GCS GCS GCS GCS GCS 0.419355 0.767442
293 GAL NAG GAL 0.418919 0.702128
294 NGT GAL 0.41791 0.66
295 GAL NGT 0.41791 0.66
296 P3M 0.41791 0.767442
297 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
298 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
299 TUR 0.416667 0.842105
300 BTU 0.416667 0.842105
301 GLC FRU 0.416667 0.842105
302 GLA MAN ABE 0.414286 0.916667
303 NAG NAG BMA 0.413333 0.634615
304 NAG NDG BMA 0.413333 0.634615
305 ACR GLC GLC GLC GLC 0.4125 0.702128
306 ACR GLC 0.4125 0.702128
307 AHR AHR AHR AHR AHR AHR 0.410714 0.857143
308 FUB AHR AHR 0.410714 0.857143
309 VAM 0.409836 0.868421
310 GLF B8D 0.409836 0.775
311 DAF GLC DAF GLC GLC 0.409639 0.702128
312 ACI GLD GLC ACI G6D BGC 0.409639 0.702128
313 AC1 GLC AC1 BGC 0.409639 0.702128
314 ACI G6D GLC ACI G6D BGC 0.409639 0.702128
315 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.702128
316 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.702128
317 MAN MMA MAN 0.409091 0.942857
318 FUB AHR 0.407407 0.857143
319 AHR AHR 0.407407 0.857143
320 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.653061
321 4U0 0.406593 0.66
322 BGC BGC SSG PIH 0.405063 0.767442
323 GLA MAN RAM ABE 0.405063 0.891892
324 G1P 0.403846 0.697674
325 GL1 0.403846 0.697674
326 XGP 0.403846 0.697674
327 M1P 0.403846 0.697674
328 GLC IFM 0.403226 0.727273
329 MAN IFM 0.403226 0.727273
330 MAN MAN MAN MAN MAN MAN MAN 0.402597 1
331 XZZ BGC BGC 0.402439 0.702128
332 ACG 0.402299 0.695652
333 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 with APoc: 229
This union binding pocket(no: 1) in the query (biounit: 2ovw.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZSI GLP None
2 5FWJ MMK 0.973236
3 3FW4 CAQ 1.1236
4 3AGC RCC 1.44928
5 5X7Q GLC GLC GLC GLC GLC 1.45985
6 5X7Q GLC GLC GLC GLC 1.45985
7 3ACL 3F1 1.68919
8 2Z81 PCJ 1.70316
9 4AZC NGW 1.70316
10 4MP8 MLI 1.76991
11 4MP8 NAD 1.76991
12 4OMJ 2TX 1.79856
13 3FW9 SLX 1.94647
14 6FUL E7Z 1.94647
15 3LVW GSH 1.94647
16 5A61 3PO 1.94647
17 5ZM4 9FU 1.96078
18 5ZM4 AKG 1.96078
19 2WA4 069 2.00573
20 3QVV 3QV 2.0339
21 4WVW SLT 2.08333
22 6GIU L69 2.16606
23 4FHD EEM 2.17391
24 4FHD 0TT 2.17391
25 5MEX SZZ 2.18978
26 4IE6 UN9 2.18978
27 3UG4 AHR 2.18978
28 3MF2 AMP 2.31214
29 2C49 ADN 2.31788
30 4O9S 2RY 2.32558
31 3P7N FMN 2.32558
32 5VEO AMP 2.43309
33 4CPZ ZMR 2.43309
34 1UR4 B2G 2.50627
35 6CC0 EWM 2.53165
36 4QDC ASD 2.5641
37 1T27 PCW 2.58303
38 2A1L PCW 2.59259
39 5MUJ RAM ARA RAM 8OQ RAM GAL XXM 8PK 2.62467
40 6DQU GLY ILE ILE ASN THR LEU 2.6764
41 1ERB ETR 2.73224
42 3PQB VGP 2.79441
43 3OGV PTQ 2.91971
44 4S3F 43W 2.95567
45 1OLM VTQ 2.97767
46 5JSP DQY 2.98507
47 4GNC ASO 3.01003
48 3VNM SDD 3.07167
49 4WUP 3UF 3.07692
50 2TPS TPS 3.0837
51 2QUN FUD 3.10345
52 5IXH OTP 3.10559
53 3M3E GAL A2G NPO 3.10559
54 4GCZ FMN 3.11688
55 4JAW GAL NGT 3.16302
56 2E9L BGC 3.16302
57 5KD6 LBU 3.16302
58 5KD6 6C7 3.16302
59 4JE5 PLP 3.16302
60 6G0X RAM GLC GLA NAG NDG NAG 3.16302
61 4JE5 PMP 3.16302
62 4HK8 XYP XYP XYP XYP XYP XYP 3.1746
63 2GC0 PAN 3.19149
64 1UNB PN1 3.21543
65 1UNB AKG 3.21543
66 4REI 3MV 3.31126
67 5IVE 6E8 3.33333
68 1WUB OTP 3.37079
69 4BG4 ADP 3.37079
70 3NY4 SMX 3.39623
71 2XIQ MLC 3.40633
72 3IAL PR8 3.40633
73 5OCQ 9RN G4S 9RN G4S 3.50877
74 2CER PGI 3.64964
75 5LRT ADP 3.64964
76 2PFY PCA 3.65448
77 3B00 16A 3.67647
78 1J3R 6PG 3.68421
79 3WDX BGC BGC GLC 3.69128
80 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 3.7234
81 5ETR 5RW 3.72671
82 5ETR APC 3.72671
83 1SDW IYT 3.82166
84 5UR6 8KM 3.8674
85 5T7I LAT NAG GAL 3.87097
86 3IS2 FAD 3.8961
87 1URX AAL GAL AAL GLA 3.90071
88 5NIU 8YZ 3.90625
89 2R5V HHH 3.92157
90 1H8S AIC 3.96825
91 1WF3 GNP 3.98671
92 1QY1 PRZ 4.02299
93 3D72 FAD 4.02685
94 5N2F 8HW 4.03226
95 4U0W 16G 4.06504
96 2V0U FMN 4.10959
97 5FBF DCM 4.11985
98 4WOE ADP 4.13625
99 4NV7 COA 4.16667
100 4BVA T3 4.1791
101 1ZB6 DIN 4.23453
102 2DIO EOD 4.25532
103 2Z77 HE7 4.31655
104 2GJ5 VD3 4.32099
105 4J36 1HR 4.37956
106 2UVF AD0 4.37956
107 2CET PGI 4.37956
108 5NBP BGC BGC BGC 4.41176
109 4LED XXR 4.47761
110 4PSB GA3 4.51613
111 5H9Q TD2 4.51613
112 2PR5 FMN 4.54545
113 1N9L FMN 4.58716
114 4D1J DGJ 4.62287
115 2Z6C FMN 4.65116
116 4Q3S X7A 4.67532
117 5GM9 CBK 4.69484
118 1G42 CP2 4.72973
119 1GQG DCD 4.85714
120 2O9R TCB 4.86618
121 3PFG TLO 4.94297
122 3PFG SAM 4.94297
123 3RGA LSB 4.947
124 5K21 6QF 4.96454
125 4MNS 2AX 5.03145
126 1GT4 UNA 5.03145
127 2WPU KYT 5.03145
128 3WG3 A2G GAL NAG FUC 5.05618
129 4F7E 0SH 5.10204
130 6FOF LAT 5.10204
131 4ZM4 P3B 5.10949
132 1OF8 PEP 5.13514
133 1LN1 DLP 5.14019
134 5MY8 RXZ 5.22193
135 1OPB RET 5.22388
136 4YLZ LAT NAG GAL 5.22876
137 3ZXE PGZ 5.26316
138 1ZM1 BGC BGC BGC 5.39419
139 2ZHL NAG GAL GAL NAG 5.40541
140 4WUJ FMN 5.44218
141 2R0H CTO 5.4878
142 3N0Y APC 5.58659
143 6E08 NAP 5.59611
144 4XIZ LPP 5.71429
145 2Y88 2ER 5.7377
146 3WDM ADN 5.74713
147 2YJ0 420 5.7971
148 3M3R BCD 5.80205
149 4Y24 TD2 5.84416
150 3W21 AKG 5.86081
151 2YAK OSV 5.96491
152 4D06 NAR 6.00707
153 1QIN GIP 6.01093
154 1MEX RAC 6.04651
155 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 6.06061
156 1U0A BGC BGC BGC BGC 6.07477
157 5C3R AKG 6.12245
158 5C3R HMU 6.12245
159 4H69 10Y 6.18557
160 3T50 FMN 6.25
161 1SWG BTN 6.25
162 1ODM ASV 6.34441
163 1KJ1 MAN 6.42202
164 4R38 RBF 6.42857
165 1TYU GLA MAN RAM TYV GLA MAN RAM TYV 6.56934
166 3WUD GLC GAL 6.61765
167 5EFW FMN 6.66667
168 3OYW TDG 6.71642
169 5OX6 A1Z 6.74603
170 5EO8 TFU 6.75241
171 6GG9 FMN 6.79012
172 1SJD NPG 6.79348
173 4H2X G5A 6.79612
174 1SES AHX 6.81265
175 1QFT HSM 6.85714
176 5DEY 59T 7.07071
177 1KGI T4A 7.08661
178 1LSH PLD 7.21003
179 2BYC FMN 7.29927
180 3VV1 GAL FUC 7.5
181 2ZRU FMN 7.6087
182 1LGT BP3 7.74411
183 5KO1 6UY 7.77385
184 5I8T LAC 7.82123
185 3TAY MN0 7.97546
186 4L4J NAG NAG BMA MAN NAG 8.1448
187 5DJU FMN 8.19672
188 3PG7 PTY 8.20312
189 6F5U CQN 8.33333
190 4HIA FMN 8.52273
191 5BU3 4W9 8.69565
192 4WW8 VD9 8.74525
193 5F7U GLC GLC GLC 8.75912
194 4OIT MAN 8.84956
195 6CAY ERG 8.87574
196 1KQW RTL 8.95522
197 1LOR BMP 9.21053
198 5NBW 8SK 9.34579
199 4WN5 MVC 9.56522
200 6GBV FMN 9.58904
201 5HA0 LTD 9.61539
202 5FP3 3JI 9.73236
203 1TT8 PHB 9.7561
204 1N5S ADL 9.82143
205 5YBN AKG 9.87261
206 2AGC DAO 9.87654
207 1YRX FMN 9.91736
208 5SVV FMN 10.219
209 3STK PLM 10.6061
210 4H6B 10X 10.7692
211 4H6B 10Y 10.7692
212 2QL9 CIT 10.9827
213 2QO4 CHD 11.1111
214 3W8X FTK 11.4355
215 5E2N V14 11.7871
216 6BYM HC3 11.8227
217 5A65 TPP 11.9816
218 5F3I 5UJ 12.2222
219 2E56 MYR 12.5
220 6GNO XDI 12.5926
221 3QRC SCR 13.3758
222 3H7J PPY 13.5802
223 4H2V AMP 14.5455
224 4BPZ GLC BGC BGC 14.8438
225 2Z6D FMN 16.1538
226 4BX7 B4F 17.2932
227 1LFO OLA 17.9688
228 3VQ2 LP4 LP5 MYR DAO 21.5278
229 4HAP CBI 48.1752
Pocket No.: 2; Query (leader) PDB : 2OVW; Ligand: CBI; Similar sites found with APoc: 58
This union binding pocket(no: 2) in the query (biounit: 2ovw.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZSI 4R1 None
2 1UO4 PIH None
3 3OBT SLB 1.45985
4 5D2R 56W 1.45985
5 2C42 TPP 1.45985
6 2C42 PYR 1.45985
7 1YKD CMP 1.50754
8 4QGE 35O 1.70316
9 1F5F DHT 1.95122
10 4OJ8 AKG 2.04778
11 5CJF 520 2.15054
12 1OX5 1PR 2.18978
13 3WIR BGC 2.18978
14 3NZ1 3NY 2.29885
15 5Y72 DST 2.38806
16 5A3T MMK 2.43309
17 1ADO 13P 2.47934
18 1Y0G 8PP 2.6178
19 5Y24 GLY MET PRO ARG GLY ALA 2.77778
20 2AGD UDH 2.78746
21 2AGD NAG MAN BMA 2.78746
22 1GP6 QUE 2.80899
23 1GP6 SIN 2.80899
24 1GP6 DH2 2.80899
25 2P6W FLC 2.8169
26 4JAW NGT GAL 3.16302
27 2WKQ FMN 3.61446
28 4B1L FRU 3.63636
29 4X3R 686 3.89294
30 2YG2 FLC 4.06977
31 2YG2 S1P 4.06977
32 3TVQ DQH 4.14201
33 1ZB6 GST 4.23453
34 3N3T C2E 4.7619
35 1GEX PLP HSA 4.77528
36 1LL2 UPG 4.8048
37 3BXO UPP 5.02092
38 3WUC GLC GAL 5.10949
39 1OGX EQU 5.34351
40 3V91 UPG 5.49828
41 4R3U 3HC 5.83942
42 4L9Z COA 5.8997
43 4L9Z OXL 5.8997
44 1IS3 LAT 5.92593
45 3G08 FEE 6.06061
46 3RUG DB6 6.06061
47 3U2U UDP 6.08365
48 3GE7 AFQ 6.47668
49 5NDF UDP 7.05596
50 5BO9 SIA GAL NGS 7.12074
51 1X1Z BMP 7.53968
52 4BJ8 BTN 8.73016
53 5TZJ UD1 11.413
54 6AZQ C5J 13.3588
55 2VUT NAD 13.9535
56 4RFR RHN 14.7783
57 5IXG OTP 14.7929
58 3JRS A8S 16.3462
Pocket No.: 3; Query (leader) PDB : 2OVW; Ligand: CBI; Similar sites found with APoc: 15
This union binding pocket(no: 3) in the query (biounit: 2ovw.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3AVR OGA 1.94647
2 5A5W GUO 2.7668
3 3KOX Z98 3.30579
4 1M7Y PPG 3.64964
5 2AMT GPP 5.66038
6 1DQX BMP 5.99251
7 5NFB 8VT 6.81818
8 4EES FMN 6.95652
9 5NDF LU2 7.05596
10 6FKW PQQ 7.78589
11 4MJ0 SIA SIA 8.72727
12 3STD MQ0 9.09091
13 1GA8 DEL 11.254
14 1GA8 UPF 11.254
15 5TBM 79A 18.2609
Pocket No.: 4; Query (leader) PDB : 2OVW; Ligand: CBI; Similar sites found with APoc: 9
This union binding pocket(no: 4) in the query (biounit: 2ovw.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4YGF AZM 1.7094
2 4JYD SAH 2.29885
3 3R5T VBN 5.57377
4 5OO5 UUA 5.64516
5 1YRO GDU 5.69106
6 4R3U 3KK 5.83942
7 2YMZ LAT 8.46154
8 4OIT BMA 8.84956
9 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 14.2857
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