Receptor
PDB id Resolution Class Description Source Keywords
2P8O 1.5 Å EC: 3.4.21.1 CRYSTAL STRUCTURE OF A BENZOHYDROXAMIC ACID/VANADATE COMPLEX BOUND TO CHYMOTRYPSIN A BOS TAURUS PROTEIN-INHIBITOR COMPLEX HYDROLASE
Ref.: INHIBITION OF CHYMOTRYPSIN BY A COMPLEX OF ORTHO-VANADATE AND BENZOHYDROXAMIC ACID: STRUCTURE OF THE INERT COMPLEX AND ITS MECHANISTIC INTERPRETATION. BIOCHEMISTRY V. 46 5982 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BVA C:300;
Valid;
none;
Ki = 16 uM
238.092 C7 H9 N O5 V c1ccc...
SO4 B:301;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P8O 1.5 Å EC: 3.4.21.1 CRYSTAL STRUCTURE OF A BENZOHYDROXAMIC ACID/VANADATE COMPLEX BOUND TO CHYMOTRYPSIN A BOS TAURUS PROTEIN-INHIBITOR COMPLEX HYDROLASE
Ref.: INHIBITION OF CHYMOTRYPSIN BY A COMPLEX OF ORTHO-VANADATE AND BENZOHYDROXAMIC ACID: STRUCTURE OF THE INERT COMPLEX AND ITS MECHANISTIC INTERPRETATION. BIOCHEMISTRY V. 46 5982 2007
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1AFQ - 0FG C22 H28 F N3 O2 CC(C)C[C@H....
2 1GHB - PRO GLY ALA n/a n/a
3 6CHA Ki = 40 uM PBA C8 H11 B O2 B(CCc1cccc....
4 2P8O Ki = 16 uM BVA C7 H9 N O5 V c1ccc(cc1)....
5 1GHA - PRO GLY VAL TYR n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1AFQ - 0FG C22 H28 F N3 O2 CC(C)C[C@H....
2 1GHB - PRO GLY ALA n/a n/a
3 6CHA Ki = 40 uM PBA C8 H11 B O2 B(CCc1cccc....
4 2P8O Ki = 16 uM BVA C7 H9 N O5 V c1ccc(cc1)....
5 1GHA - PRO GLY VAL TYR n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1AFQ - 0FG C22 H28 F N3 O2 CC(C)C[C@H....
2 1GHB - PRO GLY ALA n/a n/a
3 6CHA Ki = 40 uM PBA C8 H11 B O2 B(CCc1cccc....
4 2P8O Ki = 16 uM BVA C7 H9 N O5 V c1ccc(cc1)....
5 1GHA - PRO GLY VAL TYR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BVA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BVA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2P8O; Ligand: BVA; Similar sites found: 411
This union binding pocket(no: 1) in the query (biounit: 2p8o.bio3) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1O9U ADZ 0.00001541 0.56876 None
2 1UO5 PIH 0.0002779 0.53103 None
3 1UO4 PIH 0.0004979 0.50483 None
4 3F81 STT 0.001286 0.47345 None
5 3RF4 FUN 0.0002032 0.46884 None
6 1LNX URI 0.0006165 0.44904 None
7 1YRX FMN 0.000152 0.44817 None
8 2E1A MSE 0.0006273 0.44246 None
9 4F4S EFO 0.001569 0.43237 None
10 3DCM SAM 0.0002918 0.43223 None
11 4NAT ADP 0.01093 0.42586 None
12 2RCN GDP 0.002345 0.41454 None
13 1UAY ADN 0.0003589 0.41427 None
14 1ECM TSA 0.003445 0.41305 None
15 3PXP MYR 0.0009583 0.41001 None
16 2W3L DRO 0.02422 0.40995 None
17 2HMT NAI 0.01026 0.40903 None
18 3ZZS TRP 0.005283 0.40863 None
19 4NVP 7CH 0.006012 0.40652 None
20 2YGN PCF 0.004204 0.40483 None
21 2BOI MFU 0.007683 0.404 None
22 1TU3 GNP 0.003415 0.40371 None
23 2WCI GSH 0.0106 0.4032 None
24 2IYG FMN 0.003764 0.40203 None
25 2ALG DAO 0.0001189 0.40009 None
26 2DTJ THR 0.0004554 0.40004 None
27 4N7C AEF 0.01413 0.40869 1.52672
28 2NCD ADP 0.009225 0.40579 1.52672
29 1V2X SAM 0.0003936 0.42772 2.06186
30 3FW3 GLC 0.02384 0.4379 2.29008
31 4R33 SAH 0.001271 0.42936 2.29008
32 4R33 TRP 0.001271 0.42936 2.29008
33 1QJC PNS 0.008967 0.41487 2.29008
34 2JBH 5GP 0.003856 0.4111 2.29008
35 3UST FAD 0.001285 0.40154 2.29008
36 2BES RES 0.0431 0.40048 2.29008
37 2GJ3 FAD 0.002796 0.40184 2.5
38 3JQ3 ADP 0.0007753 0.43305 3.05344
39 1VQ2 DDN 0.0177 0.40811 3.05344
40 3PJU C2E 0.003184 0.40633 3.05344
41 3C1O NAP 0.00105 0.42042 3.09278
42 4USQ FAD 0.005141 0.40793 3.09278
43 3LTW HLZ 0.0008733 0.45642 3.81679
44 4OYA 1VE 0.007211 0.44022 3.81679
45 1L1Q 9DA 0.0006019 0.42132 3.81679
46 1D09 PAL 0.04504 0.40807 3.81679
47 3CQ5 PMP 0.004844 0.40716 3.81679
48 1EB9 HBA 0.003646 0.40254 3.81679
49 4B9E FAH 0.000322 0.48391 4.12371
50 3TKA CTN 0.002527 0.47912 4.12371
51 4G1V FAD 0.0004801 0.43766 4.12371
52 2YC5 6BC 0.003815 0.41395 4.12371
53 4O1M NAD 0.003028 0.41142 4.12371
54 1V9N NDP 0.004352 0.40821 4.12371
55 2AE2 NAP 0.0003559 0.45884 4.58015
56 2AE2 PTO 0.0003559 0.45884 4.58015
57 2FR6 CTN 0.0002979 0.41992 4.58015
58 1CKM GTP 0.003743 0.41162 4.58015
59 1MXI SAH 0.0005814 0.41079 4.58015
60 1QS8 IVA VAL VAL STA ALA STA 0.0007286 0.40735 4.58015
61 1LYX PGA 0.0007724 0.40386 4.58015
62 4IXW IXW 0.006437 0.40224 4.58015
63 3Q9T FAY 0.0001641 0.46924 5.15464
64 1V7R CIT 0.006108 0.44828 5.15464
65 2GDZ NAD 0.0004471 0.44192 5.15464
66 3A1I UNU 0.0004836 0.44094 5.15464
67 1YBH FAD 0.005427 0.44072 5.15464
68 1T10 F6P 0.00549 0.4154 5.15464
69 3IL6 B83 0.00132 0.40948 5.15464
70 1H8G CHT 0.01413 0.43793 5.26316
71 1OGD RIP 0.0004908 0.45311 5.34351
72 2IZ1 ATR 0.00297 0.43299 5.34351
73 4FR3 0V4 0.009194 0.42405 5.34351
74 4FR3 LYS ARG ARG LYS SEP VAL 0.009194 0.42405 5.34351
75 2JFV FLC 0.005055 0.4228 5.34351
76 1RM4 NDP 0.01455 0.41028 5.34351
77 2FWP ICR 0.00623 0.40594 5.34351
78 1FS5 TLA 0.003798 0.4043 5.34351
79 4GO7 THR 0.004462 0.40377 5.34351
80 2FWP CIT 0.005844 0.40221 5.34351
81 1U7Z PMT 0.0006975 0.43906 6.10687
82 2NVK NAP 0.001517 0.43298 6.10687
83 2XVE FAD 0.005384 0.42914 6.10687
84 1ZJ6 G3D 0.001468 0.41729 6.10687
85 4TMK T5A 0.03571 0.41363 6.10687
86 2AMV BIN 0.00893 0.41302 6.10687
87 1QPB PYM 0.002306 0.4114 6.10687
88 1QPB TPP 0.002306 0.4114 6.10687
89 1XX4 BAM 0.00786 0.40612 6.10687
90 1H2B NAJ 0.005548 0.40551 6.10687
91 3OIG NAD 0.02015 0.40454 6.10687
92 1SOW NAD 0.005702 0.40385 6.10687
93 1WNG SAH 0.0006855 0.40343 6.10687
94 4C6F DOR 0.005121 0.40147 6.10687
95 4C6F NCD 0.005121 0.40147 6.10687
96 1SS4 CIT 0.0002657 0.53391 6.18557
97 1SS4 GSH 0.001993 0.49147 6.18557
98 1RZM E4P 0.001232 0.45726 6.18557
99 4RJK PYR 0.003264 0.44523 6.18557
100 1KTC NGA 0.0009764 0.44084 6.18557
101 2OFE NAG 0.003052 0.43247 6.18557
102 4CMF PXG 0.004594 0.42444 6.18557
103 2C5S AMP 0.001805 0.42422 6.18557
104 1U5R ATP 0.0005432 0.42316 6.18557
105 1KOL NAD 0.002897 0.41961 6.18557
106 2XK9 XK9 0.002915 0.41716 6.18557
107 4IOK XPO 0.001202 0.41658 6.18557
108 2ZSC BTN 0.001441 0.4128 6.18557
109 2P41 SAH 0.001854 0.40233 6.18557
110 3IOI 1GW 0.00655 0.40162 6.18557
111 1QD0 RR6 0.0002441 0.44637 6.25
112 1ULE GLA GAL NAG 0.003894 0.44158 6.87023
113 1ZK7 FAD 0.001497 0.44001 6.87023
114 1NZY BCA 0.0012 0.42322 6.87023
115 1P9B IMO 0.001047 0.42047 6.87023
116 2TOH HBI 0.001046 0.42047 6.87023
117 3R35 4CO 0.001947 0.41984 6.87023
118 4P4T GDP 0.0004719 0.414 6.87023
119 3K7S R52 0.02866 0.41319 6.87023
120 1F74 NAY 0.0005774 0.41289 6.87023
121 2HW1 ANP 0.002041 0.40482 6.87023
122 1Q3Q ANP 0.02132 0.40223 6.87023
123 1NU4 MLA 0.00001583 0.59881 7.2165
124 1JN2 SFP 0.002009 0.50736 7.2165
125 3BRE C2E 0.002996 0.43283 7.2165
126 1DLJ NAI 0.002942 0.43209 7.2165
127 1DLJ UGA 0.002942 0.43209 7.2165
128 1RYI GOA 0.002445 0.4298 7.2165
129 1V6A TRE 0.003024 0.42642 7.2165
130 3FC2 IBI 0.001197 0.42622 7.2165
131 1RYI FAD 0.002864 0.42516 7.2165
132 4M51 BEZ 0.009028 0.42416 7.2165
133 1DUC DUD 0.0006116 0.42212 7.2165
134 1EDO NAP 0.01467 0.41508 7.2165
135 4DN8 BMA 0.007687 0.41476 7.2165
136 3TCT 3MI 0.01159 0.41005 7.2165
137 1UKW FAD 0.005884 0.40906 7.2165
138 4NTD FAD 0.00856 0.40391 7.2165
139 3EE4 MYR 0.002508 0.40169 7.2165
140 1GU3 BGC BGC BGC BGC BGC 0.009244 0.40068 7.2165
141 2DTX BMA 0.0002786 0.46173 7.63359
142 1JA9 PYQ 0.0005629 0.43672 7.63359
143 3P7I P7I 0.005372 0.4104 7.63359
144 2Y7P SAL 0.007572 0.40426 7.63359
145 3K3G MMU 0.01095 0.40008 7.63359
146 1G8S MET 0.0002136 0.48336 8.24742
147 3QDT A2G GAL 0.001193 0.46605 8.24742
148 1HDR NAD 0.001338 0.4447 8.24742
149 3QDY A2G GAL 0.003511 0.44372 8.24742
150 1Q0H NDP 0.002038 0.43662 8.24742
151 3QDY CBS 0.004519 0.43141 8.24742
152 1R6D DAU 0.003568 0.43041 8.24742
153 1XVV CCQ 0.001954 0.42944 8.24742
154 4NAO AKG 0.005156 0.42879 8.24742
155 1Y2W NAG 0.003841 0.42806 8.24742
156 4I71 AGV 0.0003813 0.426 8.24742
157 1Z44 NPO 0.02556 0.42378 8.24742
158 1WVC CTP 0.01763 0.41809 8.24742
159 4COQ SAN 0.007004 0.41654 8.24742
160 4INB 1F6 0.0008547 0.41603 8.24742
161 1Q0H FOM 0.006691 0.41463 8.24742
162 1UXG FUM 0.004825 0.4134 8.24742
163 1UXG NAD 0.004825 0.4134 8.24742
164 3E5P PPI 0.02803 0.41335 8.24742
165 1R6D NAD 0.01096 0.41176 8.24742
166 3DG6 MUC 0.001992 0.4077 8.24742
167 4JP3 CIT 0.002828 0.40666 8.24742
168 4EPL JAI 0.001159 0.40268 8.24742
169 2ZJ5 ADP 0.01096 0.40259 8.24742
170 1C1L GAL BGC 0.01973 0.402 8.24742
171 1R37 NAD 0.007781 0.40118 8.24742
172 2Q1A 2KT 0.0004332 0.46984 8.39695
173 2ZWS PLM 0.005571 0.46005 8.39695
174 3I8P 840 0.0001274 0.4453 8.39695
175 3CQD ATP 0.0008128 0.44165 8.39695
176 2C7G FAD 0.002881 0.43648 8.39695
177 2C7G ODP 0.003186 0.43396 8.39695
178 2GSD NAD 0.002034 0.42422 8.39695
179 2PT9 S4M 0.001256 0.41932 8.39695
180 2PT9 2MH 0.002552 0.41932 8.39695
181 1ECC PCP 0.001025 0.41903 8.39695
182 1I9G SAM 0.006367 0.41547 8.39695
183 2H6T IVA VAL VAL STA ALA STA 0.0009043 0.41087 8.39695
184 3KJQ B94 0.002535 0.40844 8.39695
185 1B5E DCM 0.00533 0.40551 8.39695
186 2JBZ COA 0.01179 0.40542 8.39695
187 3CL7 HYN 0.003402 0.40219 8.39695
188 1M5B BN1 0.005081 0.42734 9.16031
189 2Q1S NAI 0.004641 0.41901 9.16031
190 2IXB NAD 0.006388 0.40078 9.16031
191 2IXB A2G 0.01075 0.40013 9.16031
192 1GJW GLC 0.0008306 0.46509 9.27835
193 2VAR AMP 0.0002818 0.44996 9.27835
194 4PLG NAI 0.0005833 0.44711 9.27835
195 4PLG OXM 0.0005833 0.44711 9.27835
196 1P9P SAH 0.0002075 0.44163 9.27835
197 1YOA FMN 0.01992 0.42974 9.27835
198 2V5E SCR 0.02026 0.42111 9.27835
199 1QZZ SAM 0.0009409 0.4195 9.27835
200 4CCO OGA 0.003266 0.41929 9.27835
201 1LSS NAD 0.0002187 0.41166 9.27835
202 2B4Q NAP 0.004282 0.40589 9.27835
203 3I51 45C 0.003029 0.40555 9.27835
204 4QDC ASD 0.0036 0.40515 9.27835
205 1LCP PLU 0.003774 0.40215 9.27835
206 1JUV NDP 0.004449 0.40108 9.27835
207 2HV8 GTP 0.001636 0.41355 9.375
208 1C0I BE2 0.0005291 0.4576 9.92366
209 1C0I FAD 0.0005291 0.4576 9.92366
210 4W6Z 8ID 0.0008723 0.43928 9.92366
211 3GM5 CIT 0.002872 0.43364 9.92366
212 1OMZ UD2 0.004553 0.41933 9.92366
213 4E28 9MZ 0.009926 0.40985 9.92366
214 3RK0 AMP 0.00235 0.40967 9.92366
215 2C31 TZD 0.02678 0.40588 9.92366
216 2C31 ADP 0.03552 0.40021 9.92366
217 1BTN I3P 0.0004014 0.53342 10.3093
218 1OAA OAA 0.001687 0.43604 10.3093
219 1WDA BAG 0.0009612 0.43509 10.3093
220 2Y6P CTP 0.0008555 0.43141 10.3093
221 1T0S BML 0.007722 0.4274 10.3093
222 2BJK NAD 0.006995 0.41917 10.3093
223 2E2R 2OH 0.002903 0.41723 10.3093
224 2YBQ UP2 0.003934 0.41459 10.3093
225 1WRA PC 0.01503 0.40744 10.3093
226 1I2B NAD 0.01533 0.40664 10.3093
227 1I2B USQ 0.01533 0.40664 10.3093
228 1I2B UPG 0.01533 0.40664 10.3093
229 1VDC FAD 0.0119 0.40649 10.3093
230 3RO7 TDR 0.003483 0.4064 10.3093
231 3FPZ AHZ 0.03161 0.4054 10.3093
232 4N02 FNR 0.01839 0.40204 10.3093
233 3ZPG 5GP 0.005542 0.44193 10.687
234 3UEC ALA ARG TPO LYS 0.002857 0.44054 10.687
235 3H86 AP5 0.00994 0.41309 10.687
236 1TH8 ADP 0.00282 0.41146 10.687
237 1OFH ADP 0.01406 0.41022 10.687
238 2F01 BTQ 0.005429 0.43099 11.0236
239 2F01 BTN 0.005429 0.43099 11.0236
240 4JCA CIT 0.0005209 0.50382 11.3402
241 2Q8H TF4 0.0006362 0.48861 11.3402
242 2Q2V NAD 0.0005743 0.44221 11.3402
243 2EB5 OXL 0.002384 0.4372 11.3402
244 3GTD MLI 0.002389 0.43078 11.3402
245 4JEJ 1GP 0.001061 0.42255 11.3402
246 3WE0 FAD 0.005197 0.4171 11.3402
247 3SHR CMP 0.002244 0.41528 11.3402
248 3QV9 QV7 0.006446 0.41243 11.3402
249 3BY8 MLT 0.01335 0.40982 11.3402
250 2BNE U5P 0.005261 0.40697 11.3402
251 3BW2 FMN 0.00414 0.40643 11.3402
252 1OWB NAD 0.004677 0.40514 11.3402
253 1ZZ7 S0H 0.007833 0.40365 11.3402
254 2X61 CH 0.001277 0.4365 11.4504
255 1TDF FAD 0.002021 0.43585 11.4504
256 3MD0 GDP 0.0009398 0.43548 11.4504
257 2X61 NGA GAL SIA 0.003347 0.43462 11.4504
258 1TDF NAP 0.006109 0.43198 11.4504
259 4O8A FAD 0.00198 0.41957 11.4504
260 4BI7 PGA 0.0001519 0.41318 11.4504
261 1TIW FAD 0.005025 0.41273 11.4504
262 1TIW TFB 0.005025 0.41273 11.4504
263 4AF0 IMP 0.01015 0.40922 11.4504
264 1Z45 NAD 0.0008602 0.43149 12.2137
265 1A8S PPI 0.001619 0.41818 12.2137
266 1GSA ADP 0.006499 0.41683 12.2137
267 1BGQ RDC 0.001633 0.41681 12.2137
268 1MZV AMP 0.002057 0.41674 12.2137
269 2QCX PF1 0.005123 0.41668 12.2137
270 1GSA GSH 0.007974 0.40803 12.2137
271 3PFG SAM 0.01192 0.40036 12.2137
272 3PFG TLO 0.01192 0.40036 12.2137
273 1QO0 BMD 0.00004742 0.51215 12.3711
274 1PEA ACM 0.0008043 0.4742 12.3711
275 1G0N PHH 0.0002709 0.46455 12.3711
276 1G0N NDP 0.000902 0.44111 12.3711
277 1RYO OXL 0.01299 0.43054 12.3711
278 4HA6 FAD 0.003002 0.42634 12.3711
279 4KCT FDP 0.0009877 0.42372 12.3711
280 2QS8 MET 0.002099 0.41585 12.3711
281 3PNL ADP 0.001382 0.41263 12.3711
282 4KCT PYR 0.005775 0.40412 12.3711
283 1LVL FAD 0.01182 0.40323 12.3711
284 1ZFJ IMP 0.01352 0.40096 12.3711
285 3F8C HT1 0.01259 0.40001 12.3711
286 3SJ0 DXC 0.006822 0.42321 12.6761
287 3R51 MMA 0.005403 0.44248 12.9771
288 2J7T 274 0.0008998 0.42928 12.9771
289 3LRE ADP 0.02728 0.42602 12.9771
290 1MVN PCO 0.007407 0.4204 12.9771
291 1JQ5 NAD 0.04513 0.41349 12.9771
292 3FS8 ACO 0.01997 0.4128 12.9771
293 3FS8 TDR 0.01829 0.4128 12.9771
294 3MB5 SAM 0.009971 0.41112 12.9771
295 1MVN FMN 0.005721 0.41058 12.9771
296 3SSO SAH 0.001755 0.40711 12.9771
297 3TXO 07U 0.0007005 0.40473 12.9771
298 3NKS FAD 0.0007681 0.44258 13.4021
299 1XHL NDP 0.0005468 0.44161 13.4021
300 3O2K QRP 0.0009593 0.42949 13.4021
301 1EXB NDP 0.01179 0.42016 13.4021
302 4KCF AKM 0.001698 0.41126 13.4021
303 1XIU REA 0.001036 0.40885 13.4021
304 1QF5 GDP 0.01058 0.4085 13.4021
305 1QF5 RPL 0.01058 0.4085 13.4021
306 3ZOD HQE 0.003279 0.40587 13.4021
307 3ZOD FMN 0.003279 0.40587 13.4021
308 4KCF FMN 0.008203 0.40358 13.4021
309 3B96 MYA 0.002451 0.40014 13.4021
310 1SC3 MLI 0.002436 0.45129 13.6364
311 4DQ2 BTX 0.0004572 0.44002 13.7405
312 3U4C NDP 0.001571 0.42045 13.7405
313 4TSK NDP 0.01228 0.41192 13.7405
314 2P1O NLA 0.004422 0.40537 13.7405
315 2P1O IHP 0.004422 0.40537 13.7405
316 1D6H COA 0.001656 0.43635 14.433
317 3OND NAD 0.006146 0.41779 14.433
318 3OND ADN 0.006146 0.41779 14.433
319 1V35 NAI 0.008372 0.40721 14.433
320 3A2Q ACA ACA 0.000385 0.42354 14.5038
321 1DXY COI 0.02354 0.41057 14.5038
322 4GYW UDP 0.00522 0.40528 14.5038
323 3MPI GRA 0.01957 0.40167 14.5038
324 1HPG BOC ALA ALA PRO GLU 0.004702 0.44971 15.4639
325 4C0X FMN 0.001323 0.42011 15.4639
326 4C0X AQN 0.002647 0.41492 15.4639
327 1NN5 ANP 0.002463 0.41472 15.4639
328 1NN5 2DT 0.002463 0.41472 15.4639
329 4BMO FMN 0.001824 0.4135 15.9664
330 2VJJ RAM GLC GAL NAG NAG GLC 0.003875 0.42694 16.0305
331 2NLI LAC 0.01077 0.40979 16.0305
332 2NLI FMN 0.01077 0.40979 16.0305
333 1T26 NAI 0.002859 0.45554 16.4948
334 1T26 GBD 0.002859 0.45554 16.4948
335 2Z9V PXM 0.0006578 0.44789 16.4948
336 1T8U UAP SGN IDS SGN 0.001117 0.43758 16.4948
337 2VHJ ADP 0.0006278 0.42068 16.4948
338 4IAE 1DX 0.01424 0.40685 16.4948
339 1BDB NAD 0.02837 0.4043 16.4948
340 2F2U M77 0.005086 0.40158 16.7939
341 2PTZ PAH 0.001446 0.40002 16.7939
342 3DDC GNP 0.0006314 0.43004 17.5258
343 1LDM NAD 0.005988 0.4286 17.5258
344 1TV5 ORO 0.00113 0.40974 17.5258
345 2R14 FMN 0.003613 0.40435 17.5258
346 2ZJ3 G6P 0.001944 0.40364 17.5258
347 2O66 FLC 0.002314 0.43137 17.5573
348 2PWY SAH 0.001015 0.41919 17.5573
349 4JWX 1N4 0.0003021 0.46177 18.3206
350 2Q37 3AL 0.0006474 0.45489 18.3206
351 4EXO PYR 0.01005 0.42193 18.5567
352 1YAG ATP 0.001158 0.41715 18.5567
353 1I1Q TRP 0.0001633 0.40707 18.5567
354 3T1A 5MA 0.001732 0.40335 18.5567
355 2YLD CMO 0.004563 0.42476 18.8976
356 1Y1A GSH 0.0008568 0.50342 19.084
357 3IU9 T07 0.01316 0.41138 19.084
358 2RDT FMN 0.0197 0.40226 19.5876
359 4E13 NAD 0.0002508 0.41084 19.8473
360 1RP0 AHZ 0.0001757 0.49406 20.6186
361 1I0Z OXM 0.02346 0.41064 20.6186
362 1Y7P RIP 0.002883 0.4478 21.374
363 3CF6 SP1 0.001474 0.40791 21.374
364 4IVG ANP 0.01873 0.40025 21.374
365 4C2G ALA ALA ALA ALA 0.00005836 0.48344 21.6495
366 1QDS PGA 0.0002697 0.4507 21.6495
367 3WBF API 0.002793 0.41662 21.6495
368 3WBF NAP 0.00384 0.40626 21.6495
369 1WGC SIA GAL BGC 0.049 0.40087 21.6495
370 1L2T ATP 0.00007105 0.46013 23.6641
371 1FIQ FAD 0.004319 0.41076 23.6641
372 1FIQ SAL 0.004279 0.40849 23.6641
373 1FIQ MTE 0.003639 0.40849 23.6641
374 2YVF FAD 0.004384 0.43207 24.7423
375 2YVF NAD 0.00456 0.43207 24.7423
376 3FSJ D7K 0.0001796 0.49367 25.9542
377 3LZW FAD 0.003743 0.4176 26.8041
378 3LZW NAP 0.02392 0.40086 26.8041
379 1UJ5 5RP 0.000079 0.43011 30.5344
380 2R40 EPH 0.001958 0.41907 30.5344
381 2R40 20E 0.00265 0.40607 30.5344
382 3S9K CIT 0.00004068 0.5806 30.7692
383 3NOJ PYR 0.003069 0.42322 30.7692
384 3GE7 AFQ 0.003777 0.41174 30.7692
385 1KBJ FMN 0.003114 0.40515 30.9278
386 3F3E LEU 0.005306 0.41077 35.0515
387 1PR9 NAP 0.00031 0.45217 38.4615
388 4KQL 1SG 0.01222 0.41467 38.4615
389 3D3W NAP 0.0032 0.41187 38.4615
390 1RY2 AMP 0.002055 0.41164 38.4615
391 1Y75 NAG 0.004129 0.40992 38.4615
392 2QA1 FAD 0.008087 0.40167 38.4615
393 4U9W SER GLY ARG GLY LYS NH2 0.01372 0.40096 38.4615
394 1YS4 NAP 0.0001549 0.4461 46.1538
395 2Q97 ATP 0.0003058 0.4357 46.1538
396 1EP2 ORO 0.001052 0.43373 46.1538
397 3NYQ AMP 0.001094 0.43179 46.1538
398 3NYQ MCA 0.001007 0.43179 46.1538
399 3MAG 3MA 0.01398 0.42953 46.1538
400 1EP2 FMN 0.001225 0.42289 46.1538
401 3BAZ NAP 0.001325 0.41848 46.1538
402 2HVK TBA 0.006604 0.41767 46.1538
403 1Q11 TYE 0.00467 0.4129 46.1538
404 1A59 COA 0.001072 0.41053 46.1538
405 4PO2 ASN ARG LEU LEU LEU THR GLY 0.00164 0.41 46.1538
406 4KQI RBZ 0.004017 0.40823 46.1538
407 4KQI NIO 0.004017 0.40823 46.1538
408 1TUV VK3 0.02861 0.40631 46.1538
409 2EC9 24X 0.0003821 0.46462 47.3282
410 2B7D C1B 0.0004442 0.43947 47.3282
411 1OSS BEN 0.00007319 0.56259 49.4845
Pocket No.: 2; Query (leader) PDB : 2P8O; Ligand: BVA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2p8o.bio2) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2P8O; Ligand: BVA; Similar sites found: 26
This union binding pocket(no: 3) in the query (biounit: 2p8o.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WET FAD 0.03168 0.40061 6.10687
2 2CXG GLC GLC 0.02258 0.40238 7.2165
3 4YOI 4F4 0.002375 0.41556 8.39695
4 4K91 SIN 0.01854 0.40373 9.16031
5 4YLU R30 0.003415 0.41526 9.27835
6 3KDM TES 0.01373 0.41235 9.27835
7 5H9O OXM 0.01037 0.40617 10.2273
8 5JWI ARG GLU 0.001359 0.43272 10.3093
9 4RYD 2UE ARG TBG ARG 00S 0.004858 0.42381 11.3402
10 3OVR 5SP 0.009416 0.40318 11.3402
11 2GCE SFC 0.01611 0.41487 12.2137
12 3MMG GLU THR VAL ARG PHE GLN SER ASP 0.00009307 0.5006 13.4021
13 2CJU PHX 0.01715 0.40949 13.4021
14 4NWK 2R8 0.001082 0.4452 14.433
15 3SUD SUE 0.001131 0.44244 16.4948
16 2OUA AES 0.0000001055 0.47088 18.5567
17 3KEE 30B 0.0006762 0.45031 26.087
18 2XCF BBQ 0.000976 0.43899 26.087
19 4SGA ACE PRO ALA PRO PHE 0.0000007306 0.55545 27.8351
20 2W5P CL8 0.01082 0.42091 34.0206
21 3P8N L4T 0.0007273 0.45477 35.2941
22 5JXF ARG ASP 0.005073 0.41548 38.4615
23 1PN0 FAD 0.03348 0.40266 46.1538
24 1PN0 IPH 0.03469 0.40266 46.1538
25 5L2Z 70C 0.000000002411 0.7266 47.3282
26 1YGC 905 0.00000003911 0.63731 47.3282
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