Receptor
PDB id Resolution Class Description Source Keywords
2ZJF 2.4 Å EC: 3.3.2.3 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS EPOXIDE HYDR COMPLEXED WITH AN INHIBITOR MYCOBACTERIUM TUBERCULOSIS HYDROLASE FOLD INHIBITOR ENZYME MECHANISM STRUCTURAL GENOPSI PROTEIN STRUCTURE INITIATIVE TB STRUCTURAL GENOMICS CONSORTIUM TBSGC HYDROLASE
Ref.: THE MOLECULAR STRUCTURE OF EPOXIDE HYDROLASE B FROM MYCOBACTERIUM TUBERCULOSIS AND ITS COMPLEX WITH A U INHIBITOR. J.MOL.BIOL. V. 381 897 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:357;
A:358;
A:359;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
BSU A:360;
Valid;
none;
ic50 = 19 nM
212.247 C13 H12 N2 O c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZJF 2.4 Å EC: 3.3.2.3 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS EPOXIDE HYDR COMPLEXED WITH AN INHIBITOR MYCOBACTERIUM TUBERCULOSIS HYDROLASE FOLD INHIBITOR ENZYME MECHANISM STRUCTURAL GENOPSI PROTEIN STRUCTURE INITIATIVE TB STRUCTURAL GENOMICS CONSORTIUM TBSGC HYDROLASE
Ref.: THE MOLECULAR STRUCTURE OF EPOXIDE HYDROLASE B FROM MYCOBACTERIUM TUBERCULOSIS AND ITS COMPLEX WITH A U INHIBITOR. J.MOL.BIOL. V. 381 897 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZJF ic50 = 19 nM BSU C13 H12 N2 O c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZJF ic50 = 19 nM BSU C13 H12 N2 O c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZJF ic50 = 19 nM BSU C13 H12 N2 O c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BSU; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 BSU 1 1
2 PHU 0.566667 0.88
3 245 0.560976 0.705882
4 S0A 0.47619 0.709677
5 KLS 0.461538 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZJF; Ligand: BSU; Similar sites found: 514
This union binding pocket(no: 1) in the query (biounit: 2zjf.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4KCF AKM 0.0005303 0.44979 1.10497
2 3MAG 3MA 0.0005982 0.49038 1.30293
3 2NVK FAD 0.002852 0.44269 1.38122
4 2NCD ADP 0.0008493 0.43976 1.38122
5 3RFV NAI 0.0131 0.40003 1.49813
6 2J7T 274 0.001107 0.44523 1.65563
7 2Q8H TF4 0.004083 0.43928 1.65746
8 1YBH FAD 0.003943 0.43464 1.65746
9 4C0C WVH 0.00536 0.43376 1.65746
10 4FWE FAD 0.005975 0.43081 1.65746
11 2HGS ADP 0.004912 0.40964 1.65746
12 2Q37 3AL 0.005805 0.40531 1.65746
13 1QPB PYM 0.009399 0.40453 1.65746
14 2Q09 DI6 0.003661 0.40269 1.65746
15 1QPB TPP 0.01194 0.4003 1.65746
16 3S9K CIT 0.007333 0.45404 1.69492
17 4B8V NDG NAG NAG NAG 0.003117 0.42396 1.75439
18 1RP0 AHZ 0.03325 0.41315 1.76056
19 1G0N NDP 0.001877 0.44725 1.76678
20 1G0N PHH 0.003296 0.44 1.76678
21 4MP8 NAD 0.02107 0.40165 1.76991
22 4MP8 MLI 0.02107 0.40165 1.76991
23 4CKU P2F 0.004417 0.44006 1.82371
24 1NZY BCA 0.001875 0.43441 1.85874
25 4CMF PXG 0.009748 0.42665 1.86335
26 1WNG SAH 0.002951 0.41473 1.88679
27 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.01811 0.41442 1.92308
28 3T31 DCQ 0.004131 0.44771 1.9337
29 3T31 FAD 0.004575 0.44424 1.9337
30 3T1A 5MA 0.0005798 0.44017 1.9337
31 1D6H COA 0.005913 0.43101 1.9337
32 1DLJ UGA 0.01187 0.42289 1.9337
33 1DLJ NAI 0.01187 0.42289 1.9337
34 3DNT ATP 0.003233 0.41855 1.9337
35 4PB2 5UD 0.003414 0.4103 1.9337
36 4M51 BEZ 0.0127 0.40845 1.9337
37 1M7Y PPG 0.0101 0.40724 1.9337
38 1RYD NDP 0.02065 0.40202 1.9337
39 1UJ2 ADP 0.009019 0.40382 1.98413
40 1FP2 SAH 0.0002267 0.44847 1.98864
41 3GEG NAD 0.01054 0.40387 2.02429
42 1H9G COA MYR 0.001104 0.44218 2.05761
43 1A27 EST 0.0006311 0.43412 2.07612
44 1DXY NAD 0.002523 0.42767 2.1021
45 3FSY SCA 0.01967 0.40243 2.10843
46 1GAD NAD 0.006372 0.41138 2.12121
47 3CKJ CIT 0.01148 0.401 2.12766
48 3ZUY TCH 0.001866 0.40868 2.16718
49 1R18 SAH 0.003384 0.41605 2.20264
50 1T8U UAP SGN IDS SGN 0.005229 0.42839 2.20588
51 2V6O FAD 0.004494 0.45528 2.20994
52 2C31 ADP 0.009299 0.43966 2.20994
53 2C7G FAD 0.007793 0.43472 2.20994
54 2C7G ODP 0.00816 0.4331 2.20994
55 2C31 TZD 0.01541 0.43017 2.20994
56 1RYI FAD 0.00707 0.42579 2.20994
57 2ZX7 ZX7 0.006952 0.41457 2.20994
58 1RYI GOA 0.01514 0.41336 2.20994
59 2RGH FAD 0.01334 0.41302 2.20994
60 1H6C SIN 0.01356 0.41176 2.20994
61 2VJJ RAM GLC GAL NAG NAG GLC 0.02388 0.40911 2.20994
62 1XVV CCQ 0.01996 0.40457 2.20994
63 1JIL 485 0.005679 0.40361 2.20994
64 1TDF NAP 0.03527 0.41304 2.21519
65 1TDF FAD 0.01757 0.41304 2.21519
66 1BGQ RDC 0.009023 0.40525 2.22222
67 2VAR KDF 0.002654 0.40556 2.23642
68 2NX1 PEP 0.003891 0.42151 2.24719
69 2NX1 RP5 0.009915 0.40496 2.24719
70 1YS4 NAP 0.005074 0.40908 2.25989
71 2HGZ PBF 0.004597 0.41407 2.28758
72 1XX4 BAM 0.006042 0.43103 2.29885
73 1WVC CTP 0.03301 0.41934 2.3166
74 2PWY SAH 0.008071 0.40271 2.32558
75 2HJ3 FAD 0.002854 0.41717 2.4
76 3O03 NAP 0.01199 0.40023 2.4055
77 2VBQ BSJ 0.006836 0.4191 2.42424
78 2JL1 NAP 0.007163 0.40314 2.43902
79 3JYN NDP 0.004724 0.42462 2.46154
80 4M5P 23W 0.002141 0.44435 2.48619
81 4M5P MLA 0.004904 0.4441 2.48619
82 1CSI OAA 0.005031 0.43013 2.48619
83 1CSI CMX 0.005031 0.43013 2.48619
84 2NLI FMN 0.0087 0.42882 2.48619
85 2NLI LAC 0.0087 0.42882 2.48619
86 1LC8 33P 0.002627 0.42696 2.48619
87 3ULK NDP 0.001935 0.42566 2.48619
88 1C0I FAD 0.009612 0.42364 2.48619
89 1C0I BE2 0.009612 0.42364 2.48619
90 4AMV F6R 0.001198 0.42349 2.48619
91 3PC3 P1T 0.003488 0.41375 2.48619
92 1QW9 KHP 0.008809 0.40423 2.48619
93 3IL6 B83 0.0005792 0.44234 2.49221
94 1SB8 UD2 0.01519 0.41967 2.55682
95 2YGN PCF 0.0006165 0.45561 2.5641
96 1RKD RIB 0.01114 0.40793 2.589
97 1RKD ADP 0.01114 0.40793 2.589
98 3ZS7 ATP 0.005465 0.4078 2.66667
99 1R6D NAD 0.007159 0.43487 2.67062
100 1R6D DAU 0.0143 0.42082 2.67062
101 3FC2 IBI 0.0007819 0.45289 2.68657
102 1XHL NDP 0.001721 0.44155 2.6936
103 1UBY DMA 0.0001291 0.46301 2.76243
104 1ZK7 FAD 0.001245 0.46213 2.76243
105 4OYA 1VE 0.008849 0.45172 2.76243
106 3OND NAD 0.005706 0.43521 2.76243
107 3OND ADN 0.005706 0.43521 2.76243
108 1KOL NAD 0.003559 0.43327 2.76243
109 1Q0H FOM 0.005948 0.43269 2.76243
110 1Q0H NDP 0.008185 0.42837 2.76243
111 2AQJ TRP 0.01247 0.42701 2.76243
112 1Z44 NPO 0.01936 0.42204 2.76243
113 4NES UDP 0.001519 0.42181 2.76243
114 1MOQ GLP 0.002904 0.41303 2.76243
115 1X54 4AD 0.006921 0.40695 2.76243
116 3GE7 AFQ 0.01255 0.40693 2.76243
117 1GRO ICT 0.02656 0.40517 2.76243
118 3V1V GST 0.0001066 0.46621 2.77136
119 1F1V DHY 0.0006306 0.43208 2.78638
120 1YOE RIB 0.002073 0.40053 2.79503
121 3OZG SSI 0.00184 0.41637 2.8
122 4TMK T5A 0.0006716 0.45847 2.8169
123 3VPD ANP 0.00441 0.40974 2.84698
124 4KGM ATP 0.002885 0.4042 2.85714
125 3D3W NAP 0.004572 0.42272 2.86885
126 3O7B SAH 0.003976 0.40773 2.86885
127 1PR9 NAP 0.01576 0.40278 2.86885
128 4U9W COA 0.004155 0.40497 2.89855
129 3EW2 BTN 0.005783 0.40704 2.96296
130 3UST FAD 0.001084 0.42515 2.99625
131 3WD1 ST7 0.003205 0.44247 3.03867
132 2IMP NAI 0.0116 0.43856 3.03867
133 2XVE FAD 0.007658 0.43852 3.03867
134 3FC4 EDO 0.005952 0.43842 3.03867
135 1GR0 NAD 0.01829 0.42729 3.03867
136 1VJT NAD 0.003803 0.41042 3.03867
137 1LDM NAD 0.03697 0.40878 3.03951
138 4WX0 HXD 0.001175 0.42381 3.04183
139 2AE2 PTO 0.005906 0.42817 3.07692
140 2AE2 NAP 0.005906 0.42817 3.07692
141 4N02 FNR 0.01325 0.42229 3.08123
142 2ZB3 NDP 0.006724 0.4132 3.11615
143 1A8R GTP 0.002587 0.41696 3.16742
144 4M37 SAH 0.002159 0.42003 3.207
145 4QED NAP 0.01289 0.40288 3.22581
146 3B20 NAD 0.00647 0.40964 3.24484
147 3M0J OAF 0.007262 0.41442 3.25733
148 1IM8 SAI 0.002451 0.41978 3.27869
149 3R35 4CO 0.002474 0.43372 3.31126
150 4AF0 IMP 0.002855 0.44832 3.31492
151 3B96 MYA 0.0007679 0.43756 3.31492
152 3MTW M3R 0.0007675 0.43088 3.31492
153 1N6B DMZ 0.007216 0.42141 3.31492
154 3B96 FAD 0.007315 0.42116 3.31492
155 3MPI GRA 0.04578 0.41649 3.31492
156 1QF5 RPL 0.0178 0.41359 3.31492
157 1QF5 GDP 0.0178 0.41359 3.31492
158 2J0W ADP 0.002535 0.41324 3.31492
159 4QDC ASD 0.008309 0.4074 3.31492
160 4J7H TRH 0.005503 0.40414 3.31492
161 3KMZ EQO 0.00655 0.41089 3.38346
162 4G87 UD1 0.01857 0.41159 3.39321
163 4LHM AZZ 0.004169 0.41125 3.40909
164 4OJ8 2TQ 0.002656 0.42021 3.41297
165 2QCX PF1 0.00319 0.41605 3.42205
166 4B4D FAD 0.003603 0.41319 3.43511
167 3VKX T3 0.005858 0.40399 3.44828
168 4W6Z 8ID 0.003201 0.43521 3.45821
169 3KYF 5GP 5GP 0.002752 0.4024 3.4632
170 4JK3 NAD 0.003012 0.42747 3.4749
171 2WGC SIA GAL BGC 0.04294 0.40337 3.50877
172 2H6T IVA VAL VAL STA ALA STA 0.003357 0.40854 3.52941
173 3L0E G58 0.001561 0.4361 3.55731
174 4LWM MHO 0.0136 0.44424 3.59116
175 1PEA ACM 0.003429 0.43487 3.59116
176 4LCQ URQ 0.002431 0.43127 3.59116
177 2QS8 MET 0.002596 0.43011 3.59116
178 3F3E LEU 0.004583 0.42974 3.59116
179 3NKS FAD 0.01586 0.40691 3.59116
180 1O7N IND 0.006084 0.40596 3.59116
181 1P72 ADP 0.005681 0.41882 3.59281
182 3WBF API 0.0008236 0.45616 3.60656
183 2P41 SAH 0.0006521 0.43819 3.60656
184 4COQ SAN 0.005052 0.41368 3.64372
185 1JA9 NDP 0.01645 0.42718 3.64964
186 1T0I FMN 0.003222 0.41128 3.66492
187 2FFC U5P 0.00238 0.41638 3.68272
188 2BKA NDP 0.005958 0.41535 3.71901
189 2PT9 S4M 0.002224 0.42832 3.73832
190 2PT9 2MH 0.006256 0.42071 3.73832
191 1ZJ6 G3D 0.001598 0.4029 3.74332
192 1LTH NAD 0.01791 0.41649 3.76176
193 2YBQ UP2 0.006386 0.42258 3.76712
194 2YBQ SAH 0.004304 0.40832 3.76712
195 4DL8 UMP AF3 PO4 0.001284 0.42884 3.7931
196 1L2T ATP 0.005647 0.4089 3.82979
197 1SG4 CO8 0.000454 0.45779 3.84615
198 3G0I VPR 0.0006814 0.46773 3.8674
199 1R27 MGD 0.001504 0.44901 3.8674
200 3LPF Z77 0.001151 0.44146 3.8674
201 4G09 0VD 0.0008951 0.42833 3.8674
202 2YVF NAD 0.01867 0.42108 3.8674
203 2YVF FAD 0.02346 0.41596 3.8674
204 2XCG XCG 0.008432 0.41047 3.8674
205 2XVF FAD 0.0133 0.41015 3.8674
206 1OWB NAD 0.0149 0.40089 3.8674
207 1GV0 NAD 0.001887 0.43719 3.87097
208 2Q2V NAD 0.005014 0.42106 3.92157
209 1NHZ 486 0.0001311 0.47188 3.92857
210 3KJI ADP 0.001923 0.41564 3.93701
211 1J5P NAD 0.003418 0.4238 3.95257
212 4F8L GAL 0.006337 0.44799 4.13793
213 2CKM AA7 0.0005527 0.47317 4.14365
214 2ZWS PLM 0.00757 0.44387 4.14365
215 4RJK PYR 0.004482 0.42948 4.14365
216 1MDZ DCS 0.006114 0.41996 4.14365
217 2Q1S NAI 0.01188 0.41792 4.14365
218 1MDZ PLP 0.006857 0.41668 4.14365
219 1U1J MET 0.01154 0.41354 4.14365
220 4CCO OGA 0.002941 0.41173 4.14365
221 3VHZ SOG 0.0187 0.42104 4.19847
222 1G6O ADP 0.00949 0.43019 4.24242
223 4PO2 ASN ARG LEU LEU LEU THR GLY 0.003496 0.41549 4.25532
224 2WK1 SAH 0.003432 0.41402 4.25532
225 2B82 ADN 0.005966 0.40457 4.2654
226 3VTF UPG 0.004235 0.40859 4.27928
227 1EYE PMM 0.0004844 0.42253 4.28571
228 3IBH GSH 0.004816 0.40641 4.29185
229 4IOK ADP 0.003019 0.42452 4.29338
230 2BGM NAJ 0.0315 0.40827 4.31655
231 2XK9 XK9 0.004797 0.42553 4.34783
232 3F81 STT 0.01024 0.41992 4.37158
233 1NW5 SAM 0.003541 0.41163 4.38871
234 1F5F DHT 0.005266 0.401 4.39024
235 3PJU C2E 0.003458 0.42213 4.41767
236 2RDT 2RD 0.002276 0.46496 4.41989
237 1JQI FAD 0.002171 0.44231 4.41989
238 3A2Q ACA ACA 0.0006789 0.43527 4.41989
239 2RDT FMN 0.008766 0.43172 4.41989
240 2F2U M77 0.000528 0.42908 4.41989
241 1TB4 PEJ 0.006761 0.41442 4.41989
242 3ACC 5GP 0.001648 0.40509 4.41989
243 2NXW TPP 0.01393 0.40388 4.41989
244 1C3V NDP 0.007115 0.41478 4.4898
245 4NE2 ADP 0.003431 0.43162 4.49102
246 4NE2 SH2 0.007999 0.41736 4.49102
247 1SQ5 PAU 0.002518 0.41442 4.54545
248 3PFG SAM 0.01288 0.41368 4.56274
249 3PFG TLO 0.01288 0.41368 4.56274
250 3P3N AKG 0.008868 0.4032 4.58453
251 1OFH ADP 0.04199 0.40325 4.5977
252 2HNK SAH 0.006293 0.40186 4.60251
253 3IIS PID 0.02367 0.4205 4.63576
254 1I9G SAM 0.02761 0.40364 4.64286
255 4LSJ LSJ 0.00245 0.41978 4.65116
256 3SVL FMN 0.0054 0.40058 4.66321
257 1E4E ADP 0.00005737 0.47911 4.66472
258 1E4E PHY 0.002533 0.41107 4.66472
259 1KBJ FMN 0.001509 0.4351 4.69613
260 1REO FAD 0.005223 0.42944 4.69613
261 3UR0 SVR 0.008677 0.4247 4.69613
262 1LVL NAD 0.003 0.41632 4.69613
263 1Z4V DAN 0.002031 0.40993 4.69613
264 4G1V FAD 0.008619 0.40744 4.69613
265 4NM5 ADP 0.006974 0.4036 4.69613
266 3ANK NG6 GCD 0.003119 0.40037 4.69613
267 3H22 B53 0.0005484 0.43394 4.7138
268 1BTN I3P 0.009801 0.43839 4.71698
269 3K3K A8S 0.0003975 0.44872 4.73934
270 4CS4 AXZ 0.001633 0.45509 4.74453
271 4CS4 ANP 0.001873 0.44616 4.74453
272 3O55 FAD 0.00377 0.41909 4.8
273 1OGZ EQU 0.003487 0.40111 4.8
274 4A6D SAM 0.001848 0.42266 4.81586
275 9LDB NAD 0.01031 0.40812 4.81928
276 1UXG NAD 0.0007519 0.46407 4.85437
277 1UXG FUM 0.0007519 0.46407 4.85437
278 1O9U ADZ 0.004109 0.43914 4.85714
279 3QVL 5HY 0.01429 0.4201 4.89796
280 2IZ1 ATR 0.0005214 0.45589 4.97238
281 3K37 BCZ 0.008387 0.44506 4.97238
282 4KQL 1SG 0.01466 0.42582 4.97238
283 1IYE PGU 0.006159 0.41737 4.97238
284 4MZ7 DTP 0.006302 0.41568 4.97238
285 1UMP SQA 0.005828 0.41147 4.97238
286 4MZ7 DGT 0.00838 0.41058 4.97238
287 4BG1 OGA 0.004843 0.40814 4.97238
288 4BG1 IVL 0.004843 0.40814 4.97238
289 1BUC CAA 0.009627 0.40119 4.97238
290 4EPM AMP 0.009297 0.40026 4.97238
291 1E7S NAP 0.0008173 0.45494 4.98442
292 4JP3 CIT 0.002582 0.40601 5.02092
293 2IUW AKG 0.001456 0.40694 5.04202
294 2CSN CKI 0.001644 0.43361 5.05051
295 1KDK DHT 0.001899 0.42597 5.08475
296 1I0Z OXM 0.0126 0.41554 5.1051
297 1EXB NDP 0.04974 0.4061 5.12048
298 1I7L ATP 0.002469 0.42321 5.17799
299 4DQ2 BTX 0.004161 0.42173 5.18293
300 3WE0 FAD 0.001536 0.45623 5.24862
301 1H82 FAD 0.005435 0.44241 5.24862
302 1H82 GZZ 0.03246 0.40957 5.24862
303 2CJH AKG 0.004647 0.40099 5.24862
304 2YC5 6BC 0.005638 0.42374 5.26316
305 1MVN PCO 0.01489 0.42254 5.26316
306 4IAE 1DX 0.002206 0.45453 5.29101
307 1WVG CXY 0.0002334 0.46197 5.29248
308 1WVG APR 0.006856 0.40863 5.29248
309 1M5B BN1 0.001671 0.46518 5.32319
310 1EP2 ORO 0.0003651 0.47221 5.36398
311 1EP2 FMN 0.0008529 0.44831 5.36398
312 1EP2 FAD 0.003254 0.41844 5.36398
313 4PLG NAI 0.008756 0.41785 5.38922
314 4PLG OXM 0.008756 0.41785 5.38922
315 1JCM 137 0.007321 0.41169 5.40541
316 1OAA OAA 0.01804 0.41005 5.40541
317 1XE7 GUN 0.00132 0.463 5.41872
318 2FWP ICR 0.01776 0.40278 5.46448
319 1SOW NAD 0.00465 0.42368 5.4878
320 3CQD ATP 0.01639 0.40629 5.50162
321 2GSD NAD 0.001691 0.44567 5.52486
322 2B4Q NAP 0.001505 0.44122 5.52486
323 1TIW TFB 0.003737 0.43457 5.52486
324 1TIW FAD 0.003737 0.43457 5.52486
325 1FIQ MTE 0.002886 0.42961 5.52486
326 1FIQ FAD 0.006908 0.41891 5.52486
327 4O8A FAD 0.007136 0.41473 5.52486
328 1FIQ SAL 0.01025 0.40943 5.52486
329 1Y13 BIO 0.002155 0.40635 5.52486
330 2C1Q BTN 0.001438 0.45326 5.55556
331 3QDY A2G GAL 0.002849 0.4386 5.59441
332 3QDY CBS 0.0096 0.40763 5.59441
333 3I0O ADP 0.002652 0.403 5.60472
334 1SNY NAP 0.007872 0.40765 5.61798
335 3BY8 MLT 0.003341 0.42806 5.6338
336 4EKV BTN 0.003961 0.42781 5.66038
337 2E2R 2OH 0.001948 0.44188 5.7377
338 1QY1 PRZ 0.001541 0.4277 5.74713
339 4IU0 ABH 0.002338 0.4224 5.75758
340 1F3F D4D 0.002595 0.43905 5.80645
341 1F3F D4T 0.006228 0.43905 5.80645
342 4IS0 1R4 0.004846 0.40987 5.80913
343 1KW6 BPY 0.01692 0.42301 5.82192
344 3ICC NAP 0.007093 0.41607 5.88235
345 3TA2 AKG 0.008122 0.40984 5.9322
346 2V5E SCR 0.006126 0.43919 6
347 1ULE GLA GAL NAG 0.005562 0.42513 6
348 2Q8M AMP 0.0007465 0.42626 6.0241
349 2J07 HDF 0.006956 0.43228 6.07735
350 2J07 FAD 0.006956 0.43228 6.07735
351 2IXB A2G 0.006303 0.42494 6.07735
352 2IXB NAD 0.00911 0.41034 6.07735
353 2TOH HBI 0.01026 0.40007 6.12245
354 1FL2 FAD 0.02267 0.40312 6.12903
355 5YAS FAC 0.0005097 0.42965 6.22568
356 1JYQ MAZ PTR PTM ASN 0.01565 0.4176 6.25
357 3QO8 SSA 0.001354 0.42146 6.35359
358 4LWA Q13 0.0197 0.40482 6.35359
359 2GDZ NAD 0.01213 0.40396 6.36704
360 3ZLM ANP 0.004196 0.40682 6.38298
361 1LSS NAD 0.00776 0.40007 6.42857
362 1QRP HH0 0.02223 0.40438 6.44172
363 2QJN KDG 0.001233 0.42061 6.46766
364 1F74 NAY 0.004122 0.40298 6.48464
365 1SS4 CIT 0.000003694 0.68652 6.53595
366 1SS4 GSH 0.01424 0.43636 6.53595
367 2WQP WQP 0.0007788 0.44832 6.59026
368 1QRD FAD 0.002225 0.42501 6.59341
369 1I2B NAD 0.009774 0.42962 6.62983
370 1I2B UPG 0.009774 0.42962 6.62983
371 1I2B USQ 0.009774 0.42962 6.62983
372 4HA6 FAD 0.01531 0.41315 6.62983
373 2BJK NAD 0.02245 0.41249 6.62983
374 2BNF UTP 0.01322 0.41126 6.639
375 4P3H 25G 0.02725 0.40308 6.73575
376 1Y9Q MED 0.008545 0.40389 6.77083
377 1T57 FMN 0.008193 0.40083 6.79612
378 2D37 FMN 0.004278 0.41839 6.81818
379 2D37 NAD 0.005826 0.41438 6.81818
380 1TH8 ADP 0.003023 0.40088 6.89655
381 3Q9T FAY 0.001542 0.45087 6.90608
382 1KTC NGA 0.0007155 0.43617 6.90608
383 1ME8 RVP 0.01493 0.43347 6.90608
384 4R33 TRP 0.004234 0.4266 6.90608
385 4R33 SAH 0.004234 0.4266 6.90608
386 4C12 ADP 0.0124 0.42357 6.90608
387 3PVT 3HC 0.009693 0.41598 6.94981
388 1HDR NAD 0.01176 0.42229 6.96721
389 4W97 UCA 0.008957 0.40245 7
390 2ZI8 SDT 0.01367 0.40057 7
391 3JQM GTP 0.001199 0.40969 7.00637
392 1PL6 572 0.005943 0.42047 7.02247
393 1RYO OXL 0.01569 0.41704 7.03364
394 3S2Y FMN 0.004269 0.40653 7.03518
395 2OD9 A1R NCA 0.009989 0.40744 7.14286
396 2QQF A1R 0.007688 0.40662 7.14286
397 3NYQ MCA 0.0005755 0.46124 7.18232
398 3NYQ AMP 0.0006214 0.46124 7.18232
399 2YPO PHE 0.0008759 0.45086 7.18232
400 4AT0 FAD 0.01057 0.42352 7.18232
401 4GQB 0XU 0.01693 0.41758 7.18232
402 1WUR 8DG 0.002406 0.42191 7.27273
403 4E13 NAD 0.00774 0.40011 7.42049
404 3C1O NAP 0.004136 0.41591 7.47664
405 3SJ7 NDP 0.00911 0.4078 7.53968
406 1HYE NAP 0.001953 0.42726 7.66773
407 3IOI 1GW 0.01268 0.40559 7.71812
408 4AQL TXC 0.0005499 0.43879 7.73481
409 2BLE 5GP 0.01221 0.4281 7.73481
410 2YB9 HA0 0.01078 0.40607 7.73481
411 1V35 NAI 0.002892 0.44243 7.90274
412 1GSA ADP 0.001553 0.45984 7.91139
413 1GSA GSH 0.00148 0.45488 7.91139
414 3RO7 TDR 0.01182 0.40184 7.92453
415 3U5S FAD 0.007645 0.40032 7.93651
416 3AHC TPP 0.005348 0.41861 8.01105
417 1KYZ SAH 0.003755 0.40869 8.01105
418 4QVH COA 0.01017 0.40383 8.01105
419 1AUX AGS 0.003266 0.409 8.03859
420 3ZRR PXG 0.0003191 0.45245 8.07292
421 3LZW NAP 0.02734 0.41169 8.13253
422 3LZW FAD 0.01784 0.40571 8.13253
423 1QO0 BMD 0.001326 0.43856 8.16327
424 1XNK XS2 0.0006528 0.43356 8.16327
425 4JRB PGT 0.001532 0.41453 8.28729
426 1VQ2 DDN 0.002209 0.41554 8.29016
427 2GJ3 FAD 0.01257 0.40395 8.33333
428 3PNA CMP 0.0007655 0.41797 8.44156
429 2QDT I38 0.002289 0.41275 8.55019
430 4GYW UDP 0.004869 0.42285 8.56354
431 4Q3R XA2 0.009616 0.4027 8.56354
432 1KTG AMP 0.008695 0.41255 8.69565
433 1ZK4 NAP 0.03194 0.4181 8.76494
434 1ZK4 AC0 0.03194 0.4181 8.76494
435 2R42 FPS 0.002182 0.41985 8.83978
436 2PTR 2SA 0.0095 0.40434 8.83978
437 2F59 INI 0.0007164 0.43661 8.9172
438 1R37 NAD 0.01142 0.40976 8.93372
439 3P0K FAD 0.005295 0.40835 9.02256
440 1FP1 SAH 0.003948 0.40369 9.11602
441 1V9N NDP 0.01291 0.40527 9.16667
442 4R3L COA 0.001342 0.42275 9.24856
443 3ZEI AWH 0.002043 0.43436 9.35484
444 3HY3 10F 0.003738 0.41604 9.35961
445 1Q3Q ANP 0.02315 0.41294 9.39227
446 3ZOD HQE 0.002809 0.42578 9.42408
447 3ZOD FMN 0.002809 0.42578 9.42408
448 4INB 1F6 0.005063 0.40556 9.58904
449 2FOI JPA 0.0003321 0.43657 9.66543
450 1TUF AZ1 0.003003 0.42148 9.66851
451 3VEH 0GA 0.01576 0.40575 9.66851
452 1NN5 ANP 0.01058 0.40642 9.76744
453 1NN5 2DT 0.01058 0.40642 9.76744
454 2ALG DAO 0.003279 0.4148 9.78261
455 2ALG HP6 0.003279 0.4148 9.78261
456 3HPF GAE 0.01206 0.40986 9.94475
457 2Y7P SAL 0.003221 0.41016 10.0917
458 3OIG NAD 0.02862 0.41143 10.1504
459 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.005196 0.43054 10.221
460 1H2B NAJ 0.01334 0.40581 10.3064
461 1R6W 164 0.000501 0.43795 10.559
462 2DTX BMA 0.00375 0.43556 10.6061
463 3W54 RNB 0.001404 0.41847 10.6383
464 3RKR NAP 0.001963 0.41049 10.687
465 3FPZ AHZ 0.03493 0.41629 10.7362
466 1X1T NAD 0.01205 0.43451 10.7692
467 2OHV NHL 0.0004529 0.42578 10.9848
468 1T0S BML 0.0135 0.40722 11.0497
469 1ECC PCP 0.005592 0.40907 11.326
470 1NVU GTP 0.01691 0.41903 11.4458
471 3DCM SAM 0.001918 0.42204 11.4583
472 2EB5 OXL 0.004125 0.41745 11.6105
473 4KQI RBZ 0.007024 0.41501 11.7978
474 4KQI NIO 0.007024 0.41501 11.7978
475 1L3I SAH 0.003189 0.42355 11.9792
476 1NVV GNP 0.008684 0.40448 12.0482
477 3ZZS TRP 0.01273 0.40887 12.3077
478 1U7Z PMT 0.002644 0.4351 12.3894
479 1Y75 NAG 0.003669 0.40265 12.7119
480 2P1O NLA 0.008094 0.41121 13.125
481 2P1O IHP 0.008094 0.41121 13.125
482 1VDC FAD 0.001905 0.45597 13.2132
483 3H86 AP5 0.0283 0.40357 13.5417
484 1KHT AMP 0.00222 0.40044 13.5417
485 2XDQ MGX 0.001632 0.45855 13.8122
486 1V7R CIT 0.01208 0.42421 13.9785
487 1DRV A3D 0.03268 0.40197 14.2857
488 3BHO B4P 0.0103 0.42772 14.4231
489 4F4S EFO 0.001324 0.42554 14.4737
490 1L1Q 9DA 0.003986 0.40962 14.5161
491 4OZJ ADP 0.001541 0.43936 15.3846
492 3E5H GNP 0.003332 0.41967 15.7303
493 3MBG FAD 0.005719 0.4118 15.8273
494 3R3V FAH 0.0006913 0.46802 16.0131
495 2WUF KEM 0.000547 0.44925 16.1512
496 4NAT 2W5 0.0007346 0.46331 16.25
497 4NAT ADP 0.0345 0.4175 16.25
498 3B12 FAH 0.002742 0.43798 16.4474
499 2RHW C0E 0.005179 0.44616 16.6078
500 3FXU TSU 0.0007183 0.44634 17.377
501 2DHC DCE 0.01083 0.41739 17.4194
502 4B9E FAH 0.01148 0.40417 17.608
503 4G4S LDZ 0.0015 0.42202 18.018
504 1IUP ALQ 0.001927 0.43682 19.5035
505 2HVW DDN 0.001534 0.41701 19.5652
506 4U36 TNR 0.01026 0.40008 19.5833
507 2R40 EPH 0.001875 0.438 20.1521
508 2R40 20E 0.001283 0.43627 20.1521
509 4F5Z BEZ 0.000966 0.46027 21.0702
510 1TU3 GNP 0.004584 0.41568 21.519
511 1UO5 PIH 0.02532 0.41577 23.5294
512 4BMO FMN 0.002628 0.42541 30.2521
513 4O08 PO6 0.000002695 0.59305 43.6137
514 3I28 34N 0.00000000549 0.6955 44.1989
Pocket No.: 2; Query (leader) PDB : 2ZJF; Ligand: BSU; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 2zjf.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1M13 HYF 0.02912 0.40468 2.8481
2 4Z28 BTN 0.005573 0.41309 7.46269
3 1G42 CP2 0.003192 0.42694 19.5946
4 5HK9 64O 0.0001729 0.50135 39.8671
5 4X6X S74 0.000000233 0.64114 47.619
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