Receptor
PDB id Resolution Class Description Source Keywords
4FGC 2.5 Å EC: 1.7.1.13 CRYSTAL STRUCTURE OF ACTIVE SITE MUTANT C55A OF NITRILE REDU QUEF, BOUND TO SUBSTRATE PREQ0 BACILLUS SUBTILIS SUBSP. SUBTILIS BETA BARREL PTERIN BINDING FOLD TUNNEL FOLD TRNA MODIFICAENZYME 7-CYANO-7-DEAZAGUANINE (PREQ0) BINDING NADPH BINDIOXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF BIOLOGICAL NITRILE REDUCTION. J.BIOL.CHEM. V. 287 30560 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:202;
B:204;
C:202;
C:203;
D:202;
D:203;
E:202;
E:203;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
PE4 B:203;
Invalid;
none;
submit data
354.436 C16 H34 O8 CCOCC...
PQ0 B:201;
C:201;
D:201;
E:201;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
175.147 C7 H5 N5 O c1c(c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4FGC 2.5 Å EC: 1.7.1.13 CRYSTAL STRUCTURE OF ACTIVE SITE MUTANT C55A OF NITRILE REDU QUEF, BOUND TO SUBSTRATE PREQ0 BACILLUS SUBTILIS SUBSP. SUBTILIS BETA BARREL PTERIN BINDING FOLD TUNNEL FOLD TRNA MODIFICAENZYME 7-CYANO-7-DEAZAGUANINE (PREQ0) BINDING NADPH BINDIOXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF BIOLOGICAL NITRILE REDUCTION. J.BIOL.CHEM. V. 287 30560 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4FGC - PQ0 C7 H5 N5 O c1c(c2c([n....
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 4FGC - PQ0 C7 H5 N5 O c1c(c2c([n....
50% 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 4FGC - PQ0 C7 H5 N5 O c1c(c2c([n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PQ0; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 PQ0 1 1
2 PRF 0.509434 0.857143
3 FDB 0.5 0.954545
4 2KA 0.482143 0.857143
5 DX6 0.415385 0.857143
6 DX7 0.409091 0.914894
7 JU2 0.40678 0.877551
8 Q0K 0.40625 0.893617
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4FGC; Ligand: PQ0; Similar sites found: 503
This union binding pocket(no: 1) in the query (biounit: 4fgc.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.0002648 0.51708 None
2 3R35 4CO 0.000167 0.50314 None
3 1NBU PH2 0.0001944 0.5009 None
4 2GDZ NAD 0.0003129 0.48929 None
5 1DSS NAD 0.001007 0.46023 None
6 4N02 FNR 0.004174 0.46002 None
7 4BAS GNP 0.0007611 0.45828 None
8 2HQU DUP 0.003677 0.44917 None
9 3U5S FAD 0.001603 0.44427 None
10 3PJU C2E 0.0033 0.43894 None
11 3TA2 AKG 0.004845 0.43434 None
12 1JGS SAL 0.009912 0.42947 None
13 4P9Z NMI PTR 02K ASN NH2 0.000587 0.42547 None
14 1TO9 HMH 0.0007866 0.42537 None
15 3BY8 MLT 0.002495 0.42485 None
16 1PTR PRB 0.00435 0.41439 None
17 2GJ3 FAD 0.01637 0.41238 None
18 2FWP ICR 0.0218 0.41168 None
19 2JAH NDP 0.03628 0.4089 None
20 2WCV FUC 0.004128 0.40876 None
21 2ZE3 AKG 0.002971 0.40855 None
22 1B66 BIO 0.01257 0.40709 None
23 1UO4 PIH 0.01863 0.4068 None
24 2E1A MSE 0.001384 0.40357 None
25 3TA2 ATP 0.03437 0.40095 None
26 1TU3 GNP 0.0002029 0.491 1.21212
27 2XI7 XI7 0.001586 0.47094 1.21212
28 3RFV 15L 0.00283 0.44191 1.21212
29 3RFV NAI 0.004582 0.43404 1.21212
30 2DTJ THR 0.0006006 0.40691 1.21212
31 1NXJ GLV 0.001759 0.40037 1.21212
32 2YGN PCF 0.01995 0.40664 1.28205
33 2XBP ATP 0.009318 0.43882 1.76991
34 1JIL 485 0.0005196 0.46339 1.81818
35 1NZY BCA 0.002084 0.44933 1.81818
36 3BL6 FMC 0.001343 0.44358 1.81818
37 4HZD COA 0.007456 0.43321 1.81818
38 3H86 AP5 0.01237 0.43296 1.81818
39 3RKR NAP 0.001349 0.43147 1.81818
40 2IUW AKG 0.001846 0.42305 1.81818
41 2J8Z NAP 0.01056 0.41912 1.81818
42 1A27 NAP 0.02659 0.41582 1.81818
43 1PL6 NAD 0.008171 0.41527 1.81818
44 2OZE AGS 0.007195 0.41234 1.81818
45 3H8V ATP 0.01821 0.40912 1.81818
46 3GD8 GOL 0.01523 0.40649 1.81818
47 1YOA FMN 0.02434 0.40903 1.88679
48 1JAC AMG 0.005985 0.4313 2.25564
49 1BGQ RDC 0.00002965 0.52989 2.42424
50 2H6B 3C4 0.002381 0.44368 2.42424
51 1L1Q 9DA 0.001565 0.44277 2.42424
52 2YIV NBN 0.001115 0.43998 2.42424
53 3OZG SSI 0.001582 0.43615 2.42424
54 2JE7 XMM 0.00489 0.43133 2.42424
55 2VAR AMP 0.0001072 0.42936 2.42424
56 2YIV YIV 0.005642 0.4164 2.42424
57 3O03 NAP 0.02805 0.41154 2.42424
58 2Z9V PXM 0.001611 0.40935 2.42424
59 3TXO 07U 0.00635 0.40845 2.42424
60 3DER ALA LYS 0.02776 0.40245 2.42424
61 1V2X SAM 0.00007023 0.50081 3.0303
62 2XK9 XK9 0.0007701 0.47722 3.0303
63 1B74 DGN 0.0002828 0.47506 3.0303
64 3MAG 3MA 0.0008236 0.47391 3.0303
65 1T8U UAP SGN IDS SGN 0.00252 0.45828 3.0303
66 4NES UD1 0.0006101 0.45824 3.0303
67 4DVE BTN 0.0003481 0.45572 3.0303
68 1GSA ADP 0.004603 0.45468 3.0303
69 4NES UDP 0.0007046 0.45333 3.0303
70 1T26 NAI 0.01521 0.45215 3.0303
71 1T26 GBD 0.01521 0.45215 3.0303
72 3U4C NDP 0.001994 0.45165 3.0303
73 4LSJ LSJ 0.001399 0.44683 3.0303
74 2BLE 5GP 0.01368 0.43936 3.0303
75 1GSA GSH 0.008838 0.43589 3.0303
76 3VPD ANP 0.002661 0.43473 3.0303
77 3ZPG 5GP 0.004224 0.42997 3.0303
78 1U00 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.006604 0.42794 3.0303
79 4EZW ASN ARG LEU LEU LEU THR GLY 0.00792 0.42568 3.0303
80 3VPD CIT 0.00005683 0.42402 3.0303
81 1V6A TRE 0.00136 0.42215 3.0303
82 1T8U A3P 0.005192 0.42032 3.0303
83 4R33 SAH 0.01274 0.42027 3.0303
84 4R33 TRP 0.01274 0.42027 3.0303
85 3ZS7 ATP 0.00695 0.41834 3.0303
86 1DMY AZM 0.008856 0.41294 3.0303
87 4COQ SAN 0.008136 0.41062 3.0303
88 2WGC SIA GAL BGC 0.02418 0.40917 3.0303
89 3C1O NAP 0.01465 0.40724 3.0303
90 1OIK C26 0.008287 0.40574 3.0303
91 2JL1 NAP 0.02852 0.4052 3.0303
92 4EKV BTN 0.01051 0.42411 3.14465
93 1H8G CHT 0.0003418 0.50561 3.15789
94 4F8L GAL 0.001326 0.47498 3.44828
95 1PR9 NAP 0.0003796 0.48989 3.63636
96 2H6T IVA VAL VAL STA ALA STA 0.0001042 0.4886 3.63636
97 3D3W NAP 0.0003995 0.48602 3.63636
98 3ZLM ANP 0.000249 0.47489 3.63636
99 3MB5 SAM 0.002235 0.47137 3.63636
100 4ME6 ADP 0.0001539 0.46002 3.63636
101 1HFA PIO 0.008642 0.4586 3.63636
102 4N4J HG1 0.002706 0.45845 3.63636
103 4CMF PXG 0.005476 0.45275 3.63636
104 2JFV FLC 0.0004607 0.44845 3.63636
105 1LTH OXM 0.000832 0.44012 3.63636
106 3ZGE ASP 0.002275 0.43421 3.63636
107 1ZFJ IMP 0.03881 0.43199 3.63636
108 1LCP PLU 0.004695 0.43062 3.63636
109 2Q97 ATP 0.005468 0.4229 3.63636
110 4F2Q QUS 0.003192 0.42099 3.63636
111 4EN4 ATP 0.0316 0.41882 3.63636
112 1R0X ATP 0.01411 0.41824 3.63636
113 1LTH NAD 0.03218 0.41715 3.63636
114 1L1E SAH 0.01694 0.41398 3.63636
115 4CCN OGA 0.003601 0.41131 3.63636
116 2DUA OXL 0.008672 0.4107 3.63636
117 3WCS MAN NAG 0.001658 0.41019 3.63636
118 1E7S NAP 0.02012 0.41004 3.63636
119 1H5Q NAP 0.03657 0.40952 3.63636
120 3ML5 AZM 0.008217 0.40951 3.63636
121 3DDN HPV 0.002926 0.40882 3.63636
122 3LKZ SFG 0.0199 0.40875 3.63636
123 1XIU REA 0.00006638 0.40577 3.63636
124 1SUW NAP 0.03894 0.40065 3.63636
125 1C1L GAL BGC 0.00331 0.41953 3.64964
126 2O66 FLC 0.00321 0.40721 3.7037
127 2Z6D FMN 0.02231 0.40444 3.84615
128 3PMD 11A 0.0002197 0.41905 3.92157
129 1Y75 NAG 0.000387 0.42227 4.23729
130 9LDT OXM 0.00003796 0.53994 4.24242
131 1A8R GTP 0.0003115 0.50299 4.24242
132 1WVG APR 0.000161 0.49544 4.24242
133 2QCX PF1 0.0000338 0.48636 4.24242
134 1XHL NDP 0.0004729 0.48415 4.24242
135 3ACC 5GP 0.00008149 0.4784 4.24242
136 4IS0 1R4 0.0003475 0.47506 4.24242
137 3Q9T FAY 0.00168 0.46645 4.24242
138 1B8U NAD 0.0007186 0.45937 4.24242
139 4LTN NAI 0.003783 0.45874 4.24242
140 3GWT 066 0.001716 0.45739 4.24242
141 3OIG NAD 0.005992 0.45688 4.24242
142 4JCA CIT 0.002333 0.45155 4.24242
143 3GEG NAD 0.001862 0.45151 4.24242
144 1XVV CCQ 0.003801 0.45105 4.24242
145 9LDB NAD 0.002372 0.45103 4.24242
146 2P69 PLP 0.0003183 0.44739 4.24242
147 4G1V FAD 0.002386 0.44671 4.24242
148 1X54 4AD 0.001944 0.44595 4.24242
149 2BNE U5P 0.003608 0.44593 4.24242
150 1T3D CYS 0.0009337 0.44332 4.24242
151 2WQP WQP 0.002828 0.44192 4.24242
152 3F3E LEU 0.005586 0.44118 4.24242
153 1YS4 NAP 0.002302 0.43929 4.24242
154 3OIG IMJ 0.006216 0.43453 4.24242
155 3DCM SAM 0.002674 0.43275 4.24242
156 1Y7P RIP 0.002536 0.43209 4.24242
157 3QQA TCH 0.003522 0.43123 4.24242
158 1OFH ADP 0.004653 0.4308 4.24242
159 4WBD CIT 0.003096 0.42818 4.24242
160 2G36 TRP 0.001023 0.4271 4.24242
161 3CL7 HYN 0.005642 0.42555 4.24242
162 2F5T MAL 0.003794 0.42426 4.24242
163 3BL7 DD1 0.007093 0.42405 4.24242
164 2B82 ADN 0.004785 0.42368 4.24242
165 2IMP LAC 0.005311 0.4199 4.24242
166 1NW5 SAM 0.005425 0.4195 4.24242
167 9LDB OXM 0.00007706 0.41657 4.24242
168 1UJ5 5RP 0.003734 0.41576 4.24242
169 1B8U OAA 0.01666 0.4138 4.24242
170 2PTZ PAH 0.005413 0.41357 4.24242
171 4LXH C1E 0.00625 0.413 4.24242
172 3WQT ANP 0.02088 0.41175 4.24242
173 1RY2 AMP 0.01257 0.41164 4.24242
174 3V1U NAD 0.02674 0.41108 4.24242
175 1DKU AP2 0.01834 0.40637 4.24242
176 3CQD ATP 0.03429 0.40449 4.24242
177 4G7A AZM 0.01052 0.404 4.24242
178 3RK0 AMP 0.0004743 0.40013 4.24242
179 3JQM GTP 0.003866 0.40992 4.4586
180 3PNA CMP 0.001109 0.40488 4.54545
181 5FIT AP2 0.005069 0.42897 4.7619
182 2YBQ UP2 0.0009422 0.47572 4.79452
183 2YBQ SAH 0.0007263 0.45713 4.79452
184 4INB 1F6 0.001377 0.44517 4.79452
185 4B16 NAG 0.0004021 0.4893 4.84848
186 2ZWS PLM 0.000725 0.48863 4.84848
187 1RYI GOA 0.001122 0.48149 4.84848
188 2X61 CH 0.00104 0.47724 4.84848
189 1PFK ADP 0.0001705 0.47699 4.84848
190 1TIW TFB 0.001359 0.47072 4.84848
191 1TIW FAD 0.001359 0.47072 4.84848
192 2B4Q NAP 0.001753 0.45559 4.84848
193 4IVG ANP 0.005144 0.45405 4.84848
194 4KQI RBZ 0.002108 0.45335 4.84848
195 4KQI NIO 0.002108 0.45335 4.84848
196 2YYJ 4HP 0.0118 0.45299 4.84848
197 2YYJ FAD 0.0118 0.45299 4.84848
198 2X61 NGA GAL SIA 0.007414 0.45097 4.84848
199 4O8A 2OP 0.001575 0.45018 4.84848
200 2CSN CKI 0.002185 0.44534 4.84848
201 2C7G FAD 0.009565 0.44488 4.84848
202 4P3H 25G 0.006547 0.44479 4.84848
203 1QF5 RPL 0.009281 0.44016 4.84848
204 1QF5 GDP 0.009281 0.44016 4.84848
205 3A2Q ACA ACA 0.00191 0.43492 4.84848
206 3P0K FAD 0.002968 0.43447 4.84848
207 1SSQ CYS 0.01316 0.43168 4.84848
208 2XVE FAD 0.02102 0.43149 4.84848
209 1I2B NAD 0.0184 0.43037 4.84848
210 1I2B UPG 0.0184 0.43037 4.84848
211 1I2B USQ 0.0184 0.43037 4.84848
212 3SSO SAH 0.003569 0.4292 4.84848
213 4PLG NAI 0.01139 0.42682 4.84848
214 4PLG OXM 0.01139 0.42682 4.84848
215 1G8S MET 0.002226 0.42001 4.84848
216 2C7G ODP 0.03082 0.41944 4.84848
217 2WE0 UMP 0.007668 0.41907 4.84848
218 1R89 CTP 0.004352 0.41758 4.84848
219 4QED NAP 0.0255 0.41668 4.84848
220 3SVL FMN 0.005468 0.41547 4.84848
221 3GJB AKG 0.0006243 0.41482 4.84848
222 1T0S BML 0.006132 0.41476 4.84848
223 3E7O 35F 0.0279 0.41444 4.84848
224 3FED BIX 0.006197 0.41315 4.84848
225 4HZX G39 0.02623 0.41183 4.84848
226 1WGC SIA GAL BGC 0.01552 0.41075 4.84848
227 5YAS FAC 0.004799 0.40873 4.84848
228 3WJP ANP 0.01074 0.40486 4.84848
229 2ZPA ACO 0.03481 0.40054 4.84848
230 1KTC NGA 0.002878 0.40041 4.84848
231 2HMT NAI 0.0292 0.41628 4.86111
232 1QJC PNS 0.008343 0.44592 5.06329
233 3S9K CIT 0.001767 0.47794 5.08475
234 1ULE GLA GAL NAG 0.001778 0.43905 5.33333
235 4USQ FAD 0.0003908 0.49069 5.45455
236 3TKA CTN 0.002161 0.4622 5.45455
237 1KBJ FMN 0.001128 0.45804 5.45455
238 3IL6 B83 0.001003 0.4511 5.45455
239 1I9G SAM 0.005293 0.45005 5.45455
240 2XDQ MGX 0.001686 0.4488 5.45455
241 1XE7 GUN 0.001761 0.4479 5.45455
242 1V35 NAI 0.00562 0.44512 5.45455
243 2HVW DDN 0.001062 0.44103 5.45455
244 4C0C WVH 0.00814 0.44031 5.45455
245 2EFJ 37T 0.0006077 0.43958 5.45455
246 2HVW DCP 0.001628 0.43326 5.45455
247 3HZS M0E 0.0109 0.43162 5.45455
248 4C0X AQN 0.006909 0.43 5.45455
249 4C0X FMN 0.005238 0.43 5.45455
250 4KCF FMN 0.002267 0.42955 5.45455
251 4KCF AKM 0.004318 0.42906 5.45455
252 2C4I BTN 0.002841 0.42541 5.45455
253 1U7Z PMT 0.009884 0.42532 5.45455
254 1CKN GTP 0.00164 0.42515 5.45455
255 1UZN NAP 0.00827 0.4245 5.45455
256 1CKM GTP 0.0003027 0.42385 5.45455
257 1HEX NAD 0.008093 0.42298 5.45455
258 2YK7 CSF 0.00453 0.42288 5.45455
259 3IB8 AMP 0.003547 0.41907 5.45455
260 2NCD ADP 0.001625 0.41905 5.45455
261 2J0W ADP 0.004825 0.41779 5.45455
262 4AF5 CIT 0.002743 0.41623 5.45455
263 1H16 PYR 0.006049 0.41503 5.45455
264 1RZM E4P 0.004692 0.41296 5.45455
265 4RJK PYR 0.007132 0.41179 5.45455
266 1RZM PEP 0.001798 0.40675 5.45455
267 3DAG FEG 0.02094 0.40175 5.45455
268 1IYE PGU 0.02898 0.40164 5.45455
269 1SQL GUN 0.0003169 0.47988 5.47945
270 4NTK ZSP 0.004326 0.43414 5.78512
271 4NTM 2K8 0.003887 0.43392 5.78512
272 2XRH NIO 0.0004861 0.42377 6
273 1TDF FAD 0.002938 0.46308 6.06061
274 1Y42 TYR 0.0000652 0.4624 6.06061
275 4I71 AGV 0.000809 0.453 6.06061
276 2AMV BIN 0.006764 0.44835 6.06061
277 1TDF NAP 0.01291 0.44673 6.06061
278 1DLJ NAI 0.008378 0.4439 6.06061
279 1DLJ UGA 0.008378 0.4439 6.06061
280 2I4O ATP 0.0009037 0.43864 6.06061
281 2Q3M MLA 0.002999 0.437 6.06061
282 1KHT AMP 0.0008836 0.43612 6.06061
283 1R18 SAH 0.002862 0.43516 6.06061
284 2D37 FMN 0.00467 0.43222 6.06061
285 2IZ1 ATR 0.001384 0.42859 6.06061
286 2JBH 5GP 0.0002548 0.42767 6.06061
287 2Q8H TF4 0.004953 0.42671 6.06061
288 1SOW NAD 0.008853 0.42633 6.06061
289 2D37 NAD 0.009956 0.41894 6.06061
290 1KC7 PPR 0.0006296 0.41783 6.06061
291 4AQL TXC 0.007855 0.40877 6.06061
292 3ZG6 APR 0.02566 0.40447 6.06061
293 2CWH PYC 0.04928 0.4027 6.06061
294 4NBW NAD 0.04268 0.40213 6.06061
295 3KJI ADP 0.01042 0.40152 6.06061
296 1NNS ASP 0.0007081 0.40066 6.06061
297 3B1F NAD 0.01804 0.4002 6.06061
298 1DL7 NCH 0.005065 0.44469 6.25
299 1NME 159 0.004791 0.41359 6.52174
300 1R27 MGD 0.0002549 0.50186 6.66667
301 1OAA OAA 0.0009905 0.48251 6.66667
302 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.002143 0.4637 6.66667
303 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0007066 0.46163 6.66667
304 2OYS FMN 0.0006919 0.46008 6.66667
305 1VDC FAD 0.003578 0.45989 6.66667
306 1R37 NAD 0.003045 0.44991 6.66667
307 2HW1 ANP 0.001345 0.44757 6.66667
308 2YVF NAD 0.01142 0.44452 6.66667
309 2YVF FAD 0.01108 0.44452 6.66667
310 1P9B IMO 0.002581 0.44053 6.66667
311 3A4T SFG 0.006197 0.4387 6.66667
312 3UR0 SVR 0.01224 0.43192 6.66667
313 1VJT NAD 0.002859 0.4315 6.66667
314 3SCH TB6 0.001405 0.42832 6.66667
315 1F74 NAY 0.002822 0.42553 6.66667
316 3S2Y FMN 0.00569 0.41672 6.66667
317 2W8Q SIN 0.004559 0.4135 6.66667
318 1PEA ACM 0.006674 0.4131 6.66667
319 4CTA ATP 0.02723 0.40834 6.66667
320 2WM1 13P 0.004021 0.40636 6.66667
321 1P9B HDA 0.003384 0.40629 6.66667
322 2CKM AA7 0.04245 0.40368 6.66667
323 2AEB ABH 0.02053 0.40214 6.66667
324 1P9B GDP 0.01145 0.40177 6.66667
325 2Y4N DLL 0.04544 0.40137 6.66667
326 2BGM NAJ 0.04349 0.40026 6.66667
327 1SC3 MLI 0.001466 0.44283 6.81818
328 2D0V PQQ 0.007769 0.41277 6.94444
329 2F01 BTQ 0.00729 0.45604 7.08661
330 2F01 BTN 0.00729 0.45604 7.08661
331 1SS4 CIT 0.0004767 0.49188 7.18954
332 1SS4 GSH 0.002801 0.46064 7.18954
333 4GQB 0XU 0.002439 0.47123 7.27273
334 1OMZ UD2 0.002305 0.46525 7.27273
335 1Q3Q ANP 0.005738 0.45638 7.27273
336 1ZGA SAH 0.0004766 0.45561 7.27273
337 2BO4 FLC 0.0004927 0.45533 7.27273
338 1ZGA HMK 0.001229 0.43583 7.27273
339 2WE5 ADP 0.001937 0.4301 7.27273
340 1JUV NDP 0.006755 0.42508 7.27273
341 4IOK XPO 0.005537 0.42432 7.27273
342 1GJW GLC 0.00422 0.41496 7.27273
343 4IOK ADP 0.01195 0.41402 7.27273
344 1CL2 PPG 0.009824 0.40836 7.27273
345 4DXJ 0M9 0.005736 0.40553 7.27273
346 1Z45 GAL 0.002386 0.40237 7.27273
347 1A5V Y3 0.001828 0.417 7.59494
348 4AIG FLX 0.0007754 0.44139 7.87879
349 3IOI 1GW 0.005982 0.43409 7.87879
350 4USS GSH 0.0003716 0.43312 7.87879
351 1C0I BE2 0.01241 0.43249 7.87879
352 1C0I FAD 0.01241 0.43249 7.87879
353 1YOE RIB 0.001419 0.42772 7.87879
354 3H22 B53 0.002504 0.42541 7.87879
355 2QQF A1R 0.00623 0.42518 7.87879
356 3ZTV ADN 0.003103 0.42151 7.87879
357 3LIH RAF 0.006436 0.41442 7.87879
358 3BLI ACO 0.01171 0.40844 7.87879
359 1VR0 3SL 0.004275 0.40814 7.87879
360 4UOH ADP 0.001764 0.42386 7.94702
361 3N1S 5GP 0.002286 0.44748 8.40336
362 1Y2W NAG 0.001691 0.42497 8.4507
363 4M5P MLA 0.0002583 0.49879 8.48485
364 1I0Z OXM 0.0001836 0.49419 8.48485
365 2C31 TZD 0.002209 0.48546 8.48485
366 2C31 ADP 0.002146 0.48546 8.48485
367 4OYA 1VE 0.004981 0.47879 8.48485
368 3WO0 ADP 0.002501 0.45618 8.48485
369 3WO0 ALA 0.002501 0.45618 8.48485
370 1A69 FMB 0.01071 0.4459 8.48485
371 3CBG SAH 0.001089 0.4453 8.48485
372 8CAT NDP 0.003446 0.42986 8.48485
373 2HGZ PBF 0.004581 0.42954 8.48485
374 1FA2 DOM 0.01102 0.41828 8.48485
375 4MWV BCZ 0.01821 0.41735 8.48485
376 1N62 FAD 0.03848 0.4146 8.48485
377 1NX4 AKG 0.002117 0.41445 8.48485
378 3HY3 10F 0.009573 0.41387 8.48485
379 1YAG ATP 0.01265 0.40855 8.48485
380 3O26 NDP 0.04284 0.40445 8.48485
381 3W54 RNB 0.0002696 0.40408 8.48485
382 1ZUW DGL 0.005501 0.40365 8.48485
383 3CL5 SIO 0.001627 0.40275 8.48485
384 2F7C CCU 0.001156 0.42497 9.09091
385 1OTH PAO 0.01118 0.42171 9.09091
386 1YBH P22 0.0005979 0.4099 9.09091
387 2PK3 A2R 0.02404 0.40503 9.09091
388 1O9U ADZ 0.000401 0.4782 9.69697
389 1P9P SAH 0.0004261 0.4712 9.69697
390 1FIQ MTE 0.001359 0.46057 9.69697
391 1FIQ FAD 0.003094 0.44958 9.69697
392 1GPJ CIT 0.0006432 0.44243 9.69697
393 1VBH PEP 0.0005207 0.43884 9.69697
394 3JDW ORN 0.001577 0.43621 9.69697
395 1FIQ SAL 0.006347 0.43292 9.69697
396 2HGS ADP 0.003759 0.43 9.69697
397 1TUF AZ1 0.00586 0.42483 9.69697
398 1Z42 HBA 0.01706 0.42109 9.69697
399 4UBP HAE 0.007641 0.41397 9.69697
400 3CXO 1N5 0.02338 0.40591 9.69697
401 3CXO 3LR 0.02167 0.40502 9.69697
402 1Z44 NPO 0.0315 0.40312 9.69697
403 3SJ0 DXC 0.002709 0.4233 9.85915
404 1Y1A GSH 0.001361 0.47901 10.303
405 1Y13 BIO 0.003037 0.43597 10.303
406 2PWY SAH 0.003022 0.43585 10.303
407 4FC7 NAP 0.02559 0.42898 10.303
408 1FM9 570 0.0188 0.42343 10.303
409 1X8X TYR 0.0004374 0.41427 10.303
410 4LWA Q13 0.02572 0.41223 10.303
411 3I0O ADP 0.0004889 0.41042 10.303
412 1Y8O ADP 0.004975 0.40808 10.303
413 2NLI FMN 0.002239 0.4762 10.9091
414 2NLI LAC 0.009594 0.44691 10.9091
415 1V7W NDG 0.0009559 0.44037 10.9091
416 1V7W NAG 0.0009559 0.44037 10.9091
417 2NT8 ATP 0.006482 0.42866 10.9091
418 2V7T SAH 0.04148 0.42798 10.9091
419 3IHB GLU 0.000257 0.42763 10.9091
420 4W6Z ETF 0.007059 0.41943 10.9091
421 1GAD NAD 0.01177 0.41432 10.9091
422 3UH0 TSB 0.01047 0.41215 10.9091
423 1H0C AOA 0.005414 0.41027 10.9091
424 3IO3 ADP 0.0134 0.40073 10.9091
425 2W1A TSA 0.000865 0.43943 11.1111
426 2VKL MLT 0.01223 0.41589 11.1111
427 1UBY DMA 0.0009604 0.44761 11.5152
428 1V1A ADP 0.002558 0.4468 11.5152
429 4GYW UDP 0.005335 0.43635 11.5152
430 2DKH 3HB 0.009839 0.43179 11.5152
431 4NTD FAD 0.01238 0.42615 11.5152
432 1O6B ADP 0.02522 0.41698 11.5152
433 2DKH FAD 0.03093 0.40255 11.5152
434 3QDY CBS 0.001685 0.43222 11.8881
435 3QDT A2G GAL 0.008225 0.40899 11.8881
436 3DDC GNP 0.0001637 0.49512 12.1212
437 3FPZ AHZ 0.002193 0.48862 12.1212
438 1NVU GTP 0.001938 0.47767 12.1212
439 1RYD GLC 0.0007153 0.44051 12.1212
440 2P1M IHP 0.003055 0.43889 12.1212
441 1UXG NAD 0.01361 0.42424 12.1212
442 1UXG FUM 0.01361 0.42424 12.1212
443 2DTX BMA 0.0308 0.42163 12.1212
444 1D3V ABH 0.007749 0.42097 12.1212
445 3A8U PLP 0.001736 0.4179 12.1212
446 3TFC PEP 0.001001 0.41663 12.1212
447 3BHO B4P 0.0171 0.40866 12.1212
448 4BI7 PGA 0.006488 0.40072 12.1212
449 3MBG FAD 0.0003962 0.47815 12.2302
450 2J7T 274 0.0002277 0.49391 12.7273
451 4O1M NAD 0.0007893 0.4712 12.7273
452 2Q37 3AL 0.000623 0.43572 12.7273
453 2FGQ MLT 0.001099 0.43276 12.7273
454 3SQG COM 0.007818 0.42555 12.7273
455 2QS8 MET 0.0215 0.40517 12.7273
456 3ZY6 GFB 0.01284 0.40504 12.7273
457 2V5K OXM 0.007609 0.40168 12.7273
458 3GM5 CIT 0.002273 0.41963 13.2075
459 2PT9 2MH 0.0002611 0.4987 13.3333
460 2PT9 S4M 0.0001479 0.49707 13.3333
461 1GVF PGH 0.0008978 0.43272 13.3333
462 1B9I PXG 0.004914 0.42659 13.3333
463 5T0A A3P 0.001972 0.426 13.3333
464 1M1B SPV 0.001447 0.42107 13.3333
465 1NML CIT 0.002889 0.40006 13.3333
466 4BMO FMN 0.007829 0.42077 13.4454
467 1OGD RIP 0.0003424 0.43395 13.7405
468 4DQ2 BTX 0.004099 0.43761 13.9394
469 3B82 NAD 0.0116 0.42603 13.9394
470 3L24 GOA 0.006242 0.42196 13.9394
471 1XK9 P34 0.01035 0.42195 13.9394
472 2AK5 ARG PRO PRO LYS PRO ARG PRO ARG 0.0001493 0.48891 14.0625
473 1T57 FMN 0.0004065 0.47209 14.5455
474 3TO7 COA 0.00344 0.45201 14.5455
475 1WUR 8DG 0.000065 0.54261 16.3636
476 3LZW FAD 0.002354 0.45966 16.3636
477 3LZW NAP 0.00545 0.45818 16.3636
478 3FS8 ACO 0.01685 0.44616 16.3636
479 1EDO NAP 0.02307 0.43303 16.3636
480 2ZJ5 ADP 0.001087 0.42604 16.3636
481 3PNL ADP 0.004835 0.42523 16.3636
482 2YC5 6BC 0.01365 0.4211 16.3636
483 1QH9 LAC 0.0001575 0.46783 16.9697
484 1H9G COA MYR 0.004715 0.43204 17.5758
485 1NE7 16G 0.01002 0.4076 17.5758
486 3GE7 AFQ 0.02166 0.40969 18.1818
487 1XX4 BAM 0.001918 0.44615 19.3939
488 3UIE ANP 0.001265 0.43262 19.3939
489 2PNZ UDP 0.0182 0.40447 19.3939
490 3CEV ARG 0.0001824 0.4341 20
491 4KXQ APR 0.008473 0.43173 20
492 3P7I P7I 0.002472 0.40176 20.6061
493 3F81 STT 0.00111 0.45736 21.2121
494 3QV9 QV7 0.00111 0.42568 21.8182
495 1KOL NAD 0.004898 0.44273 22.4242
496 2GSD NAD 0.003234 0.44989 23.0303
497 2OFE NAG 0.002526 0.41772 23.2394
498 2OFD NGA 0.006067 0.40187 23.2394
499 2ALG DAO 0.001678 0.44341 23.913
500 2ALG HP6 0.001678 0.44341 23.913
501 1H8P PC 0.01667 0.40174 24.7706
502 1C4U IH1 0.005598 0.41798 25
503 1SQ5 ADP 0.00038 0.40498 27.8788
Pocket No.: 2; Query (leader) PDB : 4FGC; Ligand: PQ0; 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: 4fgc.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4FGC; Ligand: PQ0; 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: 4fgc.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4FGC; Ligand: PQ0; 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: 4fgc.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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