Receptor
PDB id Resolution Class Description Source Keywords
1OBB 1.9 Å EC: 3.2.1.20 ALPHA-GLUCOSIDASE A, AGLA, FROM THERMOTOGA MARITIMA IN COMPLEX WITH MALTOSE AND NAD+ THERMOTOGA MARITIMA GLYCOSIDASE SULFINIC ACID NAD+ MALTOSE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THERMOTOGA MARITIMA ALPHA-GLUCOSIDASE AGLA DEFINES A NEW CLAN OF NAD+-DEPENDENT GLYCOSIDASES J.BIOL.CHEM. V. 278 19151 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAL A:900;
B:900;
 Valid;
Valid;
 none;
none;
 submit data
342.296 C12 H22 O11 C([C@...
NAD A:500;
B:500;
 Valid;
Valid;
 none;
none;
 submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OBB 1.9 Å EC: 3.2.1.20 ALPHA-GLUCOSIDASE A, AGLA, FROM THERMOTOGA MARITIMA IN COMPLEX WITH MALTOSE AND NAD+ THERMOTOGA MARITIMA GLYCOSIDASE SULFINIC ACID NAD+ MALTOSE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THERMOTOGA MARITIMA ALPHA-GLUCOSIDASE AGLA DEFINES A NEW CLAN OF NAD+-DEPENDENT GLYCOSIDASES J.BIOL.CHEM. V. 278 19151 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1OBB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1OBB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1OBB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1VJT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Ligand no: 2; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OBB; Ligand: MAL; Similar sites found: 9
This union binding pocket(no: 1) in the query (biounit: 1obb.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3B1E P1T 0.00978 0.4235 1.27551
2 1Q6D GLC GLC 0.02962 0.41109 2.29167
3 3TTY GLA 0.01141 0.4078 2.91667
4 4JAW GAL NGT 0.01664 0.4001 3.75
5 3JRS A8S 0.03191 0.40036 6.73077
6 2D81 RB3 0.01073 0.40444 6.91824
7 2XG9 NOJ GLC 0.01504 0.43328 7.29167
8 4S15 4D8 0.02858 0.4016 7.8125
9 5N69 2OW 0.006014 0.42285 10.0503
Pocket No.: 2; Query (leader) PDB : 1OBB; Ligand: NAD; Similar sites found: 543
This union binding pocket(no: 2) in the query (biounit: 1obb.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Q1S NAI 0.00129 0.4464 1.06101
2 1K3T BRZ 0.008411 0.40106 1.11421
3 2GN3 MMA 0.01362 0.40263 1.19048
4 2GMM MAN MAN 0.02731 0.40142 1.19048
5 1PN0 IPH 0.001473 0.44864 1.25
6 1PN0 FAD 0.001404 0.44864 1.25
7 5MBX FAD 0.01203 0.41248 1.25
8 5MBX SP5 0.01203 0.41248 1.25
9 5LD5 NAD 0.003256 0.40287 1.39665
10 2X6T NAP 0.002309 0.42048 1.40056
11 3L9W AMP 0.005006 0.40797 1.45278
12 3L9W GSH 0.004315 0.40797 1.45278
13 4MOP 2H5 0.001592 0.44977 1.45833
14 5TTJ FAD 0.003824 0.42209 1.45833
15 3QVP FAD 0.009675 0.40865 1.45833
16 4XQC NAD 0.0005592 0.46202 1.47368
17 4XQC 13D 0.0009986 0.45219 1.47368
18 4MDH NAD 0.000005066 0.497 1.49701
19 5MDH NAD 0.000004173 0.52912 1.5015
20 2GLX NDP 0.0006806 0.43418 1.50602
21 1ELI PYC 0.00349 0.42272 1.54242
22 3NJ4 NAD 0.0006574 0.49858 1.6092
23 3NJ4 AFX 0.001211 0.48585 1.6092
24 4D3F NAP 0.0005138 0.43006 1.6129
25 1EQ2 NAP 0.002555 0.41867 1.6129
26 1GR0 NAD 0.0002195 0.46835 1.63488
27 3UCL NAP 0.007599 0.42935 1.66667
28 3UCL FAD 0.006915 0.42935 1.66667
29 3UCL CYH 0.006915 0.42935 1.66667
30 4DSG FAD 0.02473 0.40179 1.66667
31 4DSG UDP 0.02473 0.40179 1.66667
32 1H82 FAD 0.006906 0.42393 1.69492
33 1H82 GZZ 0.008917 0.42243 1.69492
34 2RGJ FAD 0.0005576 0.4501 1.74129
35 1LLU NAD 0.000008394 0.45057 1.75439
36 4ZGS NAD 0.001184 0.42456 1.81347
37 4E5N NAD 0.0007922 0.441 1.81818
38 4KP7 NAP 0.006564 0.41943 1.87354
39 4KP7 1UQ 0.006811 0.41523 1.87354
40 5J60 FAD 0.002436 0.43148 1.875
41 4D04 FAD 0.006422 0.42951 1.875
42 4D04 NAP 0.006422 0.42951 1.875
43 4AP3 FAD 0.01154 0.41673 1.875
44 4AP3 NAP 0.01154 0.41673 1.875
45 2Z3Y F2N 0.008414 0.41127 1.875
46 2Q0L NAP 0.009413 0.40983 1.92926
47 4USQ FAD 0.003777 0.41675 1.93906
48 4TXI FAD 0.0003775 0.45573 1.95122
49 4EMI NAD 0.007095 0.42622 1.95122
50 4EMI FAD 0.003339 0.42353 1.95122
51 1O6Z NAD 0.000008465 0.51042 1.9802
52 1SC6 NAD 0.001124 0.43612 1.9802
53 3GDH SAH 0.004194 0.40255 2.07469
54 1H6C NDP 0.009627 0.40298 2.07852
55 3GD4 NAD 0.00165 0.4627 2.08333
56 3GD4 FAD 0.001209 0.45912 2.08333
57 3ETG NDP 0.002029 0.44596 2.08333
58 3ETG GLU 0.002205 0.44436 2.08333
59 3ETG GTP 0.001622 0.44309 2.08333
60 4BV6 FAD 0.001562 0.44077 2.08333
61 3AYI HCI 0.0046 0.43025 2.08333
62 3AYI FAD 0.004415 0.43025 2.08333
63 3NYC FAD 0.005747 0.42441 2.09974
64 3NYC IAR 0.005747 0.42441 2.09974
65 1J0X NAD 0.003173 0.42955 2.10843
66 1OMO NAD 0.00004402 0.48177 2.17391
67 3A4V NAD 0.008157 0.40497 2.2082
68 3A4V PYR 0.008157 0.40497 2.2082
69 1TDF NAP 0.03283 0.40135 2.21519
70 5JCM FAD 0.004545 0.43694 2.21729
71 5JCM NAD 0.0047 0.43694 2.21729
72 5JCM ISD 0.0047 0.43694 2.21729
73 3WMX NAD 0.001811 0.40647 2.23464
74 4ZRN NAD 0.009219 0.40054 2.24359
75 1Q9I TEO 0.001429 0.4551 2.29167
76 2AQJ TRP 0.002559 0.44461 2.29167
77 2AQJ FAD 0.002658 0.44461 2.29167
78 3CGD FAD 0.004696 0.44357 2.29167
79 3CGD COA 0.004696 0.44357 2.29167
80 3CGD NAD 0.004696 0.44357 2.29167
81 3CGB FAD 0.001216 0.44097 2.29167
82 5EB4 FAD 0.006024 0.41468 2.29167
83 5EZ7 FAD 0.0007873 0.45128 2.29592
84 5KVS 6XR 0.005045 0.41031 2.33766
85 5KVS NAP 0.003953 0.40358 2.33766
86 3H8V ATP 0.0002652 0.42499 2.39726
87 1CDO NAD 0.00002232 0.49762 2.40642
88 3G89 SAM 0.000774 0.46474 2.40964
89 5FJN BE2 0.0006954 0.45998 2.41228
90 5FJN FAD 0.0005891 0.45998 2.41228
91 2BRY FAD 0.0003692 0.45755 2.41449
92 1ZBQ NAD 0.003765 0.41436 2.44648
93 1N1G BCP 0.003785 0.41789 2.45902
94 5JAQ NAI 0.002714 0.42842 2.46305
95 1X14 NAD 0.0001237 0.43095 2.49377
96 1X87 NAD 0.00001313 0.49757 2.5
97 3FZG SAM 0.003258 0.43113 2.5
98 4EUE NAI 0.001753 0.42811 2.5
99 5U8U FAD 0.007492 0.42778 2.5
100 3NTD FAD 0.003289 0.42381 2.5
101 3NT6 FAD 0.008534 0.40623 2.5
102 4CJX NAP 0.001984 0.41721 2.50784
103 3GGO ENO 0.0003839 0.46685 2.54777
104 3GGO NAI 0.0003839 0.46685 2.54777
105 2YY7 NAD 0.000961 0.43754 2.5641
106 1HYH NAD 0.000001167 0.49689 2.589
107 3WGT QSC 0.008715 0.41486 2.59366
108 3WGT FAD 0.008349 0.41486 2.59366
109 3H9E NAD 0.0007961 0.43483 2.60116
110 1E1M FAD 0.00467 0.42996 2.6087
111 1DIG L37 0.001488 0.43239 2.61438
112 1DIG NAP 0.001383 0.43239 2.61438
113 1VQW FAD 0.006089 0.40691 2.62582
114 4NTD FAD 0.00479 0.41688 2.64706
115 2YG3 FAD 0.00838 0.40854 2.64901
116 2EV9 SKM 0.003109 0.41781 2.6616
117 2EV9 NAP 0.003109 0.41781 2.6616
118 4L8V NAP 0.0008144 0.43906 2.67062
119 2GV8 NDP 0.003249 0.407 2.68456
120 2GV8 FAD 0.007498 0.4043 2.68456
121 2GVC FAD 0.00706 0.40423 2.68456
122 4XB2 HSE 0.001683 0.42885 2.68657
123 4XB2 NDP 0.0009402 0.42405 2.68657
124 3WE0 FAD 0.01012 0.4078 2.70833
125 5M67 3D1 0.00006462 0.50794 2.71399
126 5M67 NAD 0.0000684 0.50686 2.71399
127 5M67 ADE 0.00007467 0.5052 2.71399
128 1V59 FAD 0.004815 0.42356 2.71967
129 1V59 NAD 0.0001819 0.4079 2.71967
130 1GAD NAD 0.004371 0.40489 2.72727
131 2CVQ NDP 0.00001129 0.51347 2.75229
132 5VKT NAP 0.0007211 0.44123 2.76243
133 1KPG SAH 0.001719 0.42467 2.78746
134 3CH6 311 0.02753 0.4003 2.7972
135 3CH6 NAP 0.02753 0.4003 2.7972
136 2NAD NAD 0.002225 0.42757 2.79898
137 1RP0 AHZ 0.001595 0.42982 2.8169
138 2FK8 SAM 0.001628 0.42919 2.83019
139 4BJZ P3A 0.0254 0.4065 2.83019
140 2G5C NAD 0.00006503 0.4841 2.84698
141 1GET NAP 0.009045 0.42591 2.88889
142 1GET FAD 0.008962 0.42488 2.88889
143 2B4R AES 0.001451 0.42877 2.89855
144 2B4R NAD 0.001964 0.42474 2.89855
145 2DKH FAD 0.0002885 0.462 2.91667
146 5JWC FAD 0.0007053 0.44848 2.91667
147 2DKH 3HB 0.002129 0.43291 2.91667
148 1GQ2 NAP 0.0003555 0.42341 2.91667
149 1GPE FAD 0.005876 0.41981 2.91667
150 2RGH FAD 0.006042 0.41462 2.91667
151 2WET FAD 0.007395 0.41183 2.91667
152 1G8K MGD 0.02601 0.40492 2.91667
153 4RQU NAD 0.00009187 0.47628 2.93333
154 4MP8 NAD 0.0004642 0.45863 2.94985
155 5KMS NAD 0.01477 0.41058 2.96296
156 5KMS FAD 0.007318 0.40696 2.96296
157 2GSD NAD 0.001564 0.43398 2.98507
158 3KB6 NAD 0.0006161 0.44096 2.99401
159 2CUL FAD 0.006535 0.40793 3.01724
160 5MZI FAD 0.0029 0.44292 3.03688
161 5MZI FYK 0.00301 0.44292 3.03688
162 2C7G FAD 0.01023 0.41632 3.07018
163 2C7G ODP 0.01027 0.41554 3.07018
164 4J4H NAI 0.0006428 0.46245 3.0888
165 4J4H 1J1 0.0006428 0.46245 3.0888
166 4JK3 NAD 0.0003004 0.45196 3.0888
167 4PIO SAH 0.001871 0.42562 3.09598
168 4PIO AVI 0.003632 0.4124 3.09598
169 2YGM GLA NAG GAL FUC 0.001046 0.47436 3.10734
170 4NBW NAD 0.005084 0.40367 3.11284
171 3OND ADN 0.00008845 0.50093 3.125
172 1N4W FAD 0.00196 0.43857 3.125
173 4Z24 FAD 0.004477 0.42215 3.125
174 4REP FAD 0.006676 0.41178 3.125
175 2NVK FAD 0.009526 0.40711 3.125
176 1KPH SAH 0.00206 0.40689 3.13589
177 1X7D ORN 0.00006573 0.49445 3.14286
178 1X7D NAD 0.00006431 0.4826 3.14286
179 2NXE SAM 0.0004418 0.46174 3.14961
180 3EGV SAH 0.0007108 0.45701 3.14961
181 1J5P NAD 0.0009651 0.43303 3.16206
182 5GUD NDP 0.01058 0.40325 3.18471
183 4JJF N2I 0.001616 0.42684 3.19767
184 4JJF FE9 0.00137 0.42684 3.19767
185 4XUC SAM 0.001845 0.42976 3.21101
186 4XUC 43G 0.001845 0.42976 3.21101
187 1ZH8 NAP 0.002566 0.41576 3.23529
188 5KVA SAM 0.00126 0.41373 3.23741
189 4D7E FAD 0.003512 0.4204 3.2634
190 2HK9 NAP 0.000268 0.45396 3.27273
191 3ABI NAD 0.00009981 0.43727 3.28767
192 2O07 SPD 0.001563 0.42744 3.28947
193 2O07 MTA 0.001372 0.42682 3.28947
194 1KEW NAD 0.01455 0.40662 3.3241
195 1O0S NAI 0.0001626 0.46308 3.33333
196 3G2O SAM 0.003327 0.42301 3.34448
197 1HKU NAD 0.0004982 0.41001 3.35196
198 2HJR APR 0.00005358 0.48274 3.35366
199 5FI3 NAP 0.005647 0.40452 3.36134
200 3GMB FAD 0.002148 0.42699 3.37349
201 3KLJ FAD 0.001223 0.43592 3.37662
202 5UAV NDP 0.001114 0.44138 3.41615
203 5UAV TFB 0.001114 0.44138 3.41615
204 1YB5 NAP 0.00336 0.41888 3.4188
205 3GFB NAD 0.0000407 0.46243 3.42857
206 1ZEM NAD 0.001719 0.4213 3.43511
207 3OJO NAD 0.00004702 0.4753 3.48028
208 1D1T NAD 0.00004201 0.4952 3.48525
209 1LVL NAD 0.001352 0.43261 3.49345
210 1MO9 KPC 0.00666 0.43764 3.54167
211 1MO9 FAD 0.009994 0.42894 3.54167
212 1R6D NAD 0.0159 0.40638 3.56083
213 1R6D DAU 0.01799 0.40327 3.56083
214 2E5V FAD 0.0009685 0.45175 3.60169
215 4J36 1HR 0.001575 0.44266 3.61446
216 4J36 FAD 0.0008516 0.44246 3.61446
217 3HVJ 705 0.0005159 0.45669 3.61991
218 4YRY NAD 0.003964 0.4331 3.62319
219 4YRY FAD 0.003767 0.42537 3.62319
220 1BW9 NAD 0.00006524 0.48374 3.65169
221 1BXG NAD 0.0001918 0.45983 3.65169
222 1C1X NAD 0.0001389 0.44869 3.66197
223 3FUU ADN 0.001205 0.40846 3.69004
224 4TQG NDP 0.001041 0.43321 3.71517
225 1E3I CXF 0.00006728 0.41172 3.7234
226 2JHF NAD 0.00039 0.51463 3.74332
227 1U3U BNF 0.0001496 0.48553 3.74332
228 1U3U NAD 0.0001496 0.48553 3.74332
229 1UWK URO 0.0001752 0.48591 3.75
230 1UWK NAD 0.0001752 0.48591 3.75
231 3E1T FAD 0.0008624 0.45392 3.75
232 1VKO NAD 0.0001003 0.42489 3.75
233 4FWE FAD 0.004085 0.42482 3.75
234 1V5F FAD 0.02496 0.40344 3.75
235 4RDH AMP 0.000278 0.48042 3.81944
236 2NU8 COA 0.002846 0.41244 3.81944
237 4RDI ATP 0.0008325 0.40923 3.81944
238 4RSL FAD 0.0001553 0.47737 3.82022
239 5A04 BGC 0.01518 0.41201 3.83481
240 5A04 NDP 0.01279 0.41201 3.83481
241 5KKA 6V0 0.000001238 0.55855 3.84615
242 1WDK NAD 0.0005327 0.43413 3.84615
243 4ZCC NAI 0.008185 0.41765 3.86905
244 4ZCC FAD 0.008185 0.41765 3.86905
245 3L4S NAD 0.006965 0.40328 3.86905
246 3L4S 3PG 0.007441 0.40328 3.86905
247 3EGI ADP 0.0002362 0.51395 3.8835
248 3T31 DCQ 0.001198 0.45851 3.89016
249 3T31 FAD 0.001101 0.45851 3.89016
250 4OBW SAM 0.007605 0.40712 3.89105
251 1I0Z NAI 0.000003833 0.48656 3.9039
252 1E6E FAD 0.001799 0.43263 3.90625
253 1D4D FAD 0.002336 0.43528 3.95833
254 1YLH PYR 0.005763 0.43437 3.95833
255 1SQF SAM 0.001208 0.40016 3.9627
256 2CDU FAD 0.0007158 0.44947 3.9823
257 2CDU ADP 0.000591 0.40531 3.9823
258 4D79 ATP 0.0006152 0.41418 3.98551
259 3FPF TNA 0.0007783 0.45149 4.02685
260 3FPF MTA 0.0007783 0.45149 4.02685
261 3GEG NAD 0.0008486 0.4353 4.04858
262 2IXB NAD 0.0002183 0.42173 4.05405
263 3SSO SAH 0.001443 0.40647 4.05728
264 1NVM NAD 0.0002683 0.41674 4.05797
265 4X9M FAD 0.002786 0.42899 4.06699
266 4M38 SAH 0.007459 0.40111 4.08163
267 5T67 JHZ 0.01286 0.40501 4.08654
268 5T67 SAH 0.01117 0.4032 4.08654
269 5BW4 SAM 0.0004518 0.41014 4.11985
270 5I39 FAD 0.002507 0.42881 4.16667
271 1GUZ NAD 0.000002789 0.53826 4.19355
272 1GV0 NAD 0.000004381 0.53217 4.19355
273 1J49 NAD 0.0003733 0.45141 4.2042
274 2O4C NAD 0.0004218 0.45228 4.21053
275 4RL4 PPV 0.008051 0.43753 4.24528
276 3ICS FAD 0.00148 0.43852 4.2517
277 3ICR FAD 0.001559 0.43642 4.2517
278 3ICT FAD 0.005678 0.41269 4.2517
279 1SOW NAD 0.0000006628 0.56977 4.26829
280 4Q3F TLA 0.03074 0.40744 4.2735
281 1YJQ NAP 0.00664 0.40534 4.29043
282 3S5W FAD 0.001241 0.43297 4.31965
283 2DFV NAD 0.00005338 0.48413 4.32277
284 4XZ3 COA 0.001535 0.41652 4.34783
285 4XYM COA 0.006124 0.41535 4.34783
286 1QO8 FAD 0.0006231 0.45894 4.375
287 1RSG FAD 0.005366 0.41877 4.375
288 1YY5 FAD 0.007671 0.4139 4.375
289 5UAO FAD 0.01056 0.40425 4.375
290 5O4J 9KH 0.001047 0.44003 4.37956
291 5O4J SAH 0.001047 0.44003 4.37956
292 5O4J PJL 0.001204 0.43621 4.37956
293 1V8B NAD 0.00003553 0.50431 4.38413
294 3GRU AMP 0.002739 0.40633 4.40678
295 3V1Y NAD 0.001219 0.41291 4.45104
296 3CMC NAD 0.0158 0.41368 4.49102
297 3LZW NAP 0.0003342 0.48399 4.51807
298 3LZW FAD 0.0001249 0.48399 4.51807
299 1L1E SAH 0.002352 0.40066 4.52962
300 3HDY FAD 0.02077 0.40584 4.53401
301 3HDY GDU 0.02355 0.40399 4.53401
302 3HDY FDA 0.02283 0.40399 4.53401
303 2RAB FAD 0.001597 0.44338 4.53564
304 2RAB NAD 0.003528 0.44323 4.53564
305 3LXD FAD 0.002368 0.42643 4.58333
306 4C3Y FAD 0.003441 0.42608 4.58333
307 4C3Y ANB 0.004816 0.42444 4.58333
308 5H81 NAP 0.001559 0.42644 4.62725
309 1N2X SAM 0.001991 0.41086 4.65116
310 1G55 SAH 0.005219 0.41096 4.66472
311 5DN9 NAD 0.0001348 0.47574 4.67033
312 5EOW FAD 0.006486 0.40693 4.69136
313 3WLE NAD 0.00009398 0.48654 4.69208
314 3CIF NAD 0.001267 0.42972 4.73538
315 3CIF G3H 0.002165 0.42807 4.73538
316 5JY6 NAD 0.01584 0.40423 4.77528
317 4HA6 FAD 0.007707 0.41291 4.79167
318 1REO FAD 0.00747 0.40969 4.79167
319 9LDB NAD 0.0000003244 0.58061 4.81928
320 9LDT NAD 0.0000003353 0.58002 4.81928
321 1V6A TRE 0.0001137 0.53464 4.81928
322 3VPH OXM 0.0000002981 0.58981 4.83871
323 3VPH NAD 0.0000002932 0.58638 4.83871
324 5D4V SAH 0.002126 0.40638 4.85075
325 1F8F NAD 0.0003309 0.44852 4.85175
326 5DM1 5D7 0.008193 0.40798 4.86891
327 5DM1 SAH 0.007759 0.40798 4.86891
328 5BVA FAD 0.002251 0.43694 4.88998
329 2CDC XYP 0.002007 0.45363 4.91803
330 2CDC NAP 0.002878 0.44657 4.91803
331 2CDC XYS 0.002878 0.44657 4.91803
332 2B9W FAD 0.01538 0.40843 4.95283
333 4TM3 FAD 0.01286 0.41893 4.96614
334 1EJ0 SAM 0.0005008 0.41419 5
335 3Q3C NAD 0.002177 0.41397 5.01672
336 2Y6Q I7T 0.002786 0.43478 5.02513
337 2Y6Q FAD 0.001211 0.43478 5.02513
338 2PV7 NAD 0.00102 0.41125 5.03356
339 4GKV NAD 0.000004689 0.53804 5.05952
340 2PZM UDP 0.01144 0.40549 5.15152
341 2PZM NAD 0.01144 0.40549 5.15152
342 3B1F NAD 0.002799 0.40245 5.17241
343 2JJQ SAH 0.005243 0.42554 5.17647
344 4YAG NAI 0.00493 0.42035 5.19031
345 2V3A FAD 0.00117 0.44284 5.20833
346 1YQZ FAD 0.004241 0.43554 5.25114
347 3LAD FAD 0.00489 0.4205 5.2521
348 3OA2 NAD 0.00007473 0.44649 5.34591
349 1U7T TDT 0.01369 0.40033 5.36398
350 4EIP FAD 0.004337 0.42642 5.41667
351 4EIP K2C 0.004337 0.42642 5.41667
352 3FWN ATR 0.007132 0.40521 5.41667
353 3A1S GDP 0.01642 0.40569 5.42636
354 3NGL NAP 0.001374 0.41137 5.43478
355 2V3B FAD 0.001063 0.44344 5.45455
356 3C6K SPD 0.002478 0.42677 5.51181
357 3C6K MTA 0.002478 0.42677 5.51181
358 2Q7V FAD 0.00242 0.43263 5.53846
359 4EMJ FAD 0.006003 0.41374 5.60748
360 2R4J 13P 0.00493 0.42814 5.625
361 3UOY FAD 0.01533 0.41486 5.625
362 3UOY NAP 0.01533 0.41486 5.625
363 3GDN FAD 0.007063 0.41363 5.625
364 3GDN HBX 0.01009 0.41363 5.625
365 2FZW NAD 0.0009104 0.45291 5.63003
366 3CTY FAD 0.0005708 0.46268 5.64263
367 5G3U FDA 0.002441 0.4293 5.67376
368 5G3U ITW 0.01461 0.40176 5.67376
369 2DT5 NAD 0.00002289 0.46332 5.6872
370 1LDN NAD 0.000001063 0.55938 5.6962
371 1C3V NDP 0.0009769 0.43725 5.71429
372 3TWO NDP 0.0003685 0.46029 5.74713
373 3JV7 NAD 0.0002961 0.4224 5.7971
374 3IHG FAD 0.0002915 0.4558 5.83333
375 2DTX BMA 0.006447 0.41242 5.83333
376 3DAG FEG 0.001697 0.41995 5.86592
377 4CNK FAD 0.0006108 0.4548 5.88235
378 3ML1 MGD 0.02861 0.40411 5.92593
379 5MW4 5JU 0.00631 0.41382 5.98802
380 5MQ6 NDP 0.004488 0.40429 6.04167
381 5JE0 AZ8 0.005627 0.40587 6.07287
382 5JE0 SAH 0.005627 0.40587 6.07287
383 1B8U OAA 0.0001443 0.47302 6.07903
384 1B8U NAD 0.00003087 0.47302 6.07903
385 4USR FAD 0.002558 0.42259 6.09418
386 1VM6 NAD 0.002329 0.41441 6.14035
387 2VPY MGD 0.02596 0.40266 6.15385
388 1Q0H FOM 0.002658 0.43475 6.15764
389 1Q0H NDP 0.003982 0.42891 6.15764
390 5E1M PRO PRO LYS ARG ILE ALA 0.005933 0.40855 6.22407
391 5E1M SAH 0.005933 0.40855 6.22407
392 2RGO FAD 0.001564 0.43636 6.25
393 4BVA NDP 0.0003559 0.45532 6.26866
394 4BVA T3 0.001138 0.44335 6.26866
395 1RYI FAD 0.008323 0.40963 6.28272
396 4KOA NDP 0.000548 0.46211 6.30631
397 1DSS NAD 0.001101 0.42751 6.30631
398 3G5S FAD 0.002748 0.42602 6.32054
399 1YKJ FAD 0.001211 0.4621 6.34518
400 1YKJ PHB 0.001211 0.4621 6.34518
401 1LDM NAD 0.000004177 0.48461 6.38298
402 3H2B SAH 0.001788 0.40038 6.40394
403 1MUU NAD 0.0008303 0.42527 6.42202
404 2EWM NAD 0.00549 0.40632 6.4257
405 3FG2 FAD 0.006409 0.40598 6.43564
406 3SQP FAD 0.01667 0.44147 6.48536
407 1L7E NAI 0.001179 0.42464 6.51042
408 1F8G NAD 0.000714 0.4236 6.51042
409 4R6W PC 0.007441 0.42025 6.58915
410 4R6W SAH 0.003015 0.41836 6.58915
411 1EZ4 NAD 0.0000005559 0.56246 6.60377
412 1MV8 NAD 0.000164 0.46259 6.65138
413 1PL6 572 0.0001638 0.47074 6.74157
414 1PL6 NAD 0.00006151 0.46111 6.74157
415 1L3I SAH 0.00525 0.40167 6.77083
416 2DC1 NAD 0.002762 0.41446 6.77966
417 2AG8 NAP 0.0001191 0.45083 6.84411
418 2VVM FAD 0.005358 0.41685 6.875
419 3WV8 ATP 0.0004463 0.42293 6.88073
420 1WP4 NDP 0.001885 0.4212 6.92042
421 4CQM NAP 0.006739 0.40136 6.96721
422 2GZ3 NAP 0.01415 0.40562 7.10383
423 1U1I NAD 0.0003219 0.4614 7.14286
424 3ORF NAD 0.001427 0.42762 7.17131
425 5N53 8NB 0.001159 0.48113 7.17949
426 2DBZ NAP 0.00209 0.42084 7.18563
427 4YUW S4M 0.00288 0.46258 7.23684
428 4YUW 4JU 0.002997 0.46222 7.23684
429 2CVZ NDP 0.001757 0.42092 7.26644
430 4YNU FAD 0.005486 0.4202 7.29167
431 4YNU LGC 0.006994 0.41905 7.29167
432 3F8D FAD 0.03159 0.40212 7.43034
433 1UXG NAD 0.000004561 0.54487 7.44337
434 1UXG FUM 0.01211 0.42659 7.44337
435 2OOR NAD 0.0007715 0.42226 7.47126
436 1OC2 NAD 0.0122 0.41292 7.47126
437 1OC2 TDX 0.0122 0.41292 7.47126
438 2WPF WPF 0.01384 0.42938 7.5
439 2WPF FAD 0.01399 0.42786 7.5
440 1DJN ADP 0.0008688 0.42535 7.5
441 1Y8Q ATP 0.0006292 0.43555 7.51445
442 5TUK FAD 0.0014 0.42646 7.59804
443 5JE8 NAD 0.00001812 0.48964 7.61589
444 1KYQ NAD 0.0001687 0.43003 7.66423
445 4K5S PM0 0.001389 0.44975 7.70833
446 4K5S FAD 0.0005685 0.44975 7.70833
447 3WQQ IB3 0.005819 0.4163 7.70833
448 2C29 NAP 0.01075 0.40667 7.71513
449 2C29 DQH 0.0111 0.40606 7.71513
450 1ZQ9 SAM 0.0005455 0.41744 7.7193
451 2HQM FAD 0.004259 0.42308 7.72443
452 4YSX FAD 0.0036 0.42423 7.80142
453 2GCG NDP 0.001709 0.42442 7.87879
454 2V3V MGD 0.009319 0.42707 7.91667
455 2F5Z FAD 0.001837 0.43978 8.01688
456 1SAY PYR 0.0002548 0.46564 8.03324
457 1KOL NAD 0.0000641 0.49353 8.0402
458 2GAG NAD 0.001181 0.44151 8.08081
459 2GAG FAD 0.01225 0.40593 8.08081
460 2GAG FOA 0.01225 0.40593 8.08081
461 3HAD NAD 0.002077 0.44212 8.11688
462 1PS9 FAD 0.006869 0.41321 8.125
463 1H2B NAJ 0.00006988 0.48759 8.35655
464 4HXY NDP 0.007622 0.40042 8.44749
465 3A27 SAM 0.004038 0.41929 8.45588
466 4YCA NDP 0.001452 0.41031 8.5034
467 4II2 ATP 0.000663 0.42282 8.58896
468 1JXN MFU 0.02935 0.40645 8.67769
469 4PLG NAI 0.000001345 0.56572 8.68263
470 4PLG OXM 0.001384 0.4692 8.68263
471 1O94 ADP 0.0005628 0.43749 8.75
472 1A5Z NAD 0.000006912 0.50235 8.77743
473 3OFK SAH 0.01092 0.40341 8.7963
474 4M52 FAD 0.005308 0.41897 8.79828
475 1P0F NAP 0.0005019 0.45061 8.84719
476 5JCA FAD 0.003921 0.42463 9.15493
477 5JCA NDP 0.00846 0.42345 9.15493
478 3ZNN 4WL 0.01459 0.41014 9.2219
479 3ZNN FAD 0.01459 0.41014 9.2219
480 1DXY NAD 0.00022 0.45742 9.30931
481 2PT9 2MH 0.001491 0.43362 9.34579
482 2PT9 S4M 0.001555 0.42147 9.34579
483 5DLY SAH 0.004779 0.41586 9.3985
484 5DLY 5D7 0.005355 0.41586 9.3985
485 1HYE NAP 0.0004351 0.43751 9.58466
486 4GUT FAD 0.004538 0.42556 9.67742
487 4GUS FAD 0.004221 0.42513 9.67742
488 4HSU FAD 0.005131 0.42146 9.67742
489 1UP7 NAD 0.00000003194 0.61006 9.83213
490 1XHC FAD 0.0004099 0.45965 10.0817
491 1FEC FAD 0.005829 0.42083 10.2083
492 4OPC FDA 0.01294 0.43034 10.3753
493 4OPC PGT 0.01489 0.43034 10.3753
494 4EDF UPG 0.004709 0.42573 10.4167
495 1TPY SAH 0.001767 0.40907 10.453
496 1P1C SAH 0.0007603 0.4281 10.5528
497 2I7C AAT 0.0003428 0.40028 10.6007
498 2F1K NAP 0.0006454 0.42433 10.7527
499 3Q9N COA 0.001683 0.42168 10.7595
500 1NYT NAP 0.00196 0.41121 11.0701
501 4W6Z 8ID 0.00008447 0.48849 11.2392
502 2VHW NAI 0.000002389 0.5536 11.4058
503 4JNA FAD 0.003573 0.42636 11.4706
504 2VT3 ATP 0.00003739 0.42749 11.6279
505 5ITV NAI 0.001619 0.4282 11.7647
506 2WSB NAD 0.01273 0.40076 11.811
507 1JNR FAD 0.01032 0.42616 12
508 5AYV KPL 0.002531 0.42522 12.2977
509 5AYV NAP 0.003402 0.40291 12.2977
510 1JG3 ADN 0.0004625 0.46087 12.3404
511 5BUK FAD 0.002452 0.43533 12.4444
512 1DLJ NAI 0.0003102 0.47916 12.6866
513 1DLJ UGA 0.001079 0.45545 12.6866
514 1LSS NAD 0.000538 0.42407 12.8571
515 4K28 NAD 0.00009962 0.46101 13.0112
516 1T26 NAI 0.000003155 0.55744 13.0435
517 1LTH NAD 0.000003347 0.52655 13.1661
518 3QV1 NAD 0.003426 0.40766 13.4146
519 1FL2 FAD 0.008364 0.4076 14.1935
520 5U5G NAP 0.001045 0.43315 14.2373
521 2YVF NAD 0.005352 0.4324 14.4608
522 2YVF FAD 0.005696 0.4305 14.4608
523 2YVJ FAD 0.00796 0.40648 14.6789
524 2YVJ NAI 0.001086 0.4034 14.6789
525 1PZG A3D 0.000003564 0.44912 15.1057
526 1NV8 MEQ 0.001979 0.42035 15.1408
527 1NV8 SAM 0.002149 0.42035 15.1408
528 5K8V 6RE 0.0167 0.40614 15.2355
529 3AD8 NAD 0.001355 0.43535 15.2709
530 3AD8 FAD 0.02877 0.40178 15.2709
531 3AD8 PYC 0.02877 0.40178 15.2709
532 1NM5 NAD 0.02131 0.4 15.7635
533 1R37 NAD 0.0000175 0.51418 15.8501
534 4QTU SAM 0.003294 0.41962 15.8654
535 2VYN NAD 0.001965 0.42194 15.8683
536 2A92 NAI 0.000001024 0.56195 16.5109
537 2HMT NAI 0.0008573 0.42161 18.0556
538 4J56 FAD 0.01056 0.40787 20.1754
539 4M73 M72 0.002018 0.43169 20.4748
540 4M73 SAH 0.001921 0.43143 20.4748
541 5ODQ FAD 0.002606 0.43225 23.913
542 1U8X NAD 0.000005293 0.50349 32.4153
543 3RNM FAD 0.001603 0.44232 32.7586
Pocket No.: 3; Query (leader) PDB : 1OBB; Ligand: MAL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1obb.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1OBB; Ligand: NAD; 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: 1obb.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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