Receptor
PDB id Resolution Class Description Source Keywords
2FOI 2.5 Å EC: 1.3.1.9 SYNTHESIS, BIOLOGICAL ACTIVITY, AND X-RAY CRYSTAL STRUCTURAL OF DIARYL ETHER INHIBITORS OF MALARIAL ENOYL ACP REDUCTASE. PLASMODIUM FALCIPARUM ENOYL REDUCTASE ROSSMANN FOLD OXIDOREDUCTASE
Ref.: X-RAY STRUCTURAL ANALYSIS OF PLASMODIUM FALCIPARUM ACYL CARRIER PROTEIN REDUCTASE AS A PATHWAY TOWARD OPTIMIZATION OF TRICLOSAN ANTIMALARIAL EFFICACY. J.BIOL.CHEM. V. 282 25436 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
JPA A:500;
B:501;
Valid;
Valid;
none;
none;
ic50 = 440 nM
345.219 C19 H14 Cl2 O2 Cc1cc...
NAD A:450;
B:451;
Invalid;
Invalid;
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
2FOI 2.5 Å EC: 1.3.1.9 SYNTHESIS, BIOLOGICAL ACTIVITY, AND X-RAY CRYSTAL STRUCTURAL OF DIARYL ETHER INHIBITORS OF MALARIAL ENOYL ACP REDUCTASE. PLASMODIUM FALCIPARUM ENOYL REDUCTASE ROSSMANN FOLD OXIDOREDUCTASE
Ref.: X-RAY STRUCTURAL ANALYSIS OF PLASMODIUM FALCIPARUM ACYL CARRIER PROTEIN REDUCTASE AS A PATHWAY TOWARD OPTIMIZATION OF TRICLOSAN ANTIMALARIAL EFFICACY. J.BIOL.CHEM. V. 282 25436 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2FOI ic50 = 440 nM JPA C19 H14 Cl2 O2 Cc1ccccc1c....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2FOI ic50 = 440 nM JPA C19 H14 Cl2 O2 Cc1ccccc1c....
2 2NQ8 ic50 = 320 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
3 1NHG Ki = 0.05 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
4 1NNU Ki = 0.015 uM TCT C16 H11 Cl O3 c1cc(cc2c1....
5 1NHW Ki = 14.3 uM TCC C12 H9 Cl2 N O c1ccc(c(c1....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2FOI ic50 = 440 nM JPA C19 H14 Cl2 O2 Cc1ccccc1c....
2 2NQ8 ic50 = 320 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
3 1NHG Ki = 0.05 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
4 1NNU Ki = 0.015 uM TCT C16 H11 Cl O3 c1cc(cc2c1....
5 1NHW Ki = 14.3 uM TCC C12 H9 Cl2 N O c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: JPA; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 JPA 1 1
2 TCL 0.535714 0.88
3 FT1 0.492063 0.814815
4 FT3 0.47619 0.6875
5 FT2 0.46875 0.785714
6 JPM 0.457143 0.851852
7 JPJ 0.450704 0.785714
8 JPN 0.445946 0.758621
9 8PC 0.432432 0.676471
10 JPL 0.418919 0.741935
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FOI; Ligand: JPA; Similar sites found: 35
This union binding pocket(no: 1) in the query (biounit: 2foi.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CH6 NAP 0.04762 0.41582 3.33333
2 3CH6 311 0.04762 0.41582 3.33333
3 5JAQ NAI 0.01076 0.43548 4.92611
4 3RV5 DXC 0.002929 0.47072 5.61798
5 2QCS ANP 0.007131 0.42904 6.3197
6 2WYA HMG 0.0339 0.40129 6.69145
7 4EUE NAI 0.0209 0.41321 7.0632
8 4J7U YTZ 0.009296 0.44163 7.43494
9 4J7U NAP 0.009296 0.44163 7.43494
10 1Z6Z NAP 0.02176 0.40998 7.43494
11 1XSE NDP 0.006 0.44968 8.33333
12 4PIV NDP 0.01995 0.4131 10
13 3FHI ANP 0.007208 0.42881 11.039
14 1WMA NDP 0.01346 0.43405 11.1524
15 1WMA AB3 0.01346 0.43405 11.1524
16 4FWE FAD 0.02397 0.4208 11.6667
17 3O26 NDP 0.01218 0.42279 13.3333
18 4RJD TFP 0.01201 0.40632 13.6364
19 5L4S NAP 0.01442 0.42686 15
20 5L4S 6KX 0.01442 0.42686 15
21 1PZX PLM 0.01951 0.4012 18.3333
22 4CNK FAD 0.03825 0.40567 23.3333
23 2WSB NAD 0.0395 0.40672 28.3333
24 1W6U HXC 0.01606 0.40697 31.5985
25 4FC7 NAP 0.02604 0.41804 33.3333
26 4FC7 COA 0.02604 0.41804 33.3333
27 2AE2 NAP 0.02598 0.41634 35
28 2AE2 PTO 0.02598 0.41634 35
29 2ZAT NAP 0.0238 0.408 38.3333
30 4WKB TDI 0.01056 0.41429 40
31 1G0N PHH 0.02364 0.41939 43.3333
32 3OID TCL 0.0000235 0.50896 45
33 3OID NDP 0.004584 0.44808 45
34 4D42 W0I 0.0000001841 0.69774 48.3333
35 4D42 NAP 0.0000001841 0.69774 48.3333
Pocket No.: 2; Query (leader) PDB : 2FOI; Ligand: JPA; 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: 2foi.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2FOI; Ligand: JPA; Similar sites found: 587
This union binding pocket(no: 3) in the query (biounit: 2foi.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BY8 MLT 0.0003435 0.472 None
2 1TUV VK3 0.001464 0.46082 None
3 1UO5 PIH 0.004845 0.45421 None
4 2ALG HP6 0.0003495 0.45302 None
5 2ALG DAO 0.0003495 0.45302 None
6 1KDK DHT 0.0006781 0.44367 None
7 1ECM TSA 0.0004903 0.43628 None
8 1KYV RBF 0.001087 0.42741 None
9 1F5F DHT 0.001942 0.4177 None
10 2WCV FUC 0.001579 0.4063 None
11 1QJC PNS 0.03417 0.40435 None
12 2Q37 3AL 0.003806 0.41288 1.10497
13 3PC3 P1T 0.0005078 0.44665 1.11524
14 4I9A NCN 0.001631 0.43835 1.11524
15 1U7Z PMT 0.001931 0.44078 1.32743
16 4TMK T5A 0.00253 0.43463 1.40845
17 2PWY SAH 0.002676 0.42182 1.55039
18 1Y9Q MED 0.001755 0.43334 1.5625
19 1L3I SAH 0.01157 0.40085 1.5625
20 2C1Q BTN 0.01244 0.41337 1.5873
21 2BNE U5P 0.008098 0.41545 1.65975
22 2BNF UTP 0.0185 0.40504 1.65975
23 2Y6P CTP 0.003038 0.4008 1.7094
24 2YC5 6BC 0.00363 0.43176 1.75439
25 1T8U UAP SGN IDS SGN 0.0005296 0.47051 1.85874
26 2OI2 DP6 0.0006902 0.42754 1.85874
27 1V9N NDP 0.007893 0.41414 1.85874
28 1IUP ALQ 0.006929 0.41398 1.85874
29 1UOU CMU 0.001857 0.41387 1.85874
30 1Q7E MET 0.005811 0.413 1.85874
31 2CSN CKI 0.007159 0.40787 1.85874
32 3KMZ EQO 0.008056 0.40725 1.8797
33 1V2X SAM 0.000149 0.46536 2.06186
34 4F8L GAL 0.0125 0.43223 2.06897
35 3N5O GSH 0.0001943 0.45858 2.12766
36 3WE0 FAD 0.0008935 0.46636 2.23048
37 3ZS7 ATP 0.0002638 0.45988 2.23048
38 2YPO PHE 0.001342 0.44327 2.23048
39 2J07 HDF 0.004311 0.44137 2.23048
40 2J07 FAD 0.004311 0.44137 2.23048
41 2NXW TPP 0.002009 0.43878 2.23048
42 9LDT NAD 0.002132 0.43638 2.23048
43 3WBF API 0.003456 0.43027 2.23048
44 3WBF NAP 0.002952 0.42783 2.23048
45 4G87 UD1 0.008021 0.42749 2.23048
46 9LDB NAD 0.009903 0.40884 2.23048
47 3QO8 SSA 0.003753 0.40453 2.23048
48 1LTH NAD 0.04644 0.40187 2.23048
49 1R6W 164 0.004482 0.40159 2.23048
50 2XD9 XD9 0.01955 0.44554 2.39521
51 2YVF FAD 0.004355 0.44885 2.60223
52 3BW2 FMN 0.001158 0.44589 2.60223
53 1NZY BCA 0.00329 0.42448 2.60223
54 4DYO SD4 0.001411 0.41862 2.60223
55 1F1V DHY 0.001583 0.4167 2.60223
56 2YVF NAD 0.02429 0.41591 2.60223
57 1LDM NAD 0.02902 0.41359 2.60223
58 2PTZ PAH 0.003293 0.40671 2.60223
59 3PXP MYR 0.004249 0.40459 2.60223
60 1NN5 2DT 0.005204 0.4191 2.7907
61 1NN5 ANP 0.005204 0.4191 2.7907
62 3OZG SSI 0.00108 0.42522 2.8
63 2OFE NAG 0.00521 0.41311 2.8169
64 3ZRR PXG 0.003141 0.41367 2.86458
65 1XE7 GUN 0.0009261 0.47044 2.95567
66 1B8U OAA 0.0038 0.42731 2.97398
67 4UAL 3FV 0.00116 0.42631 2.97398
68 1RM4 NDP 0.002963 0.42484 2.97398
69 3S7O LBV 0.004807 0.42182 2.97398
70 2F2U M77 0.001084 0.41746 2.97398
71 4TSK NDP 0.01984 0.4173 2.97398
72 3UXL CFI 0.0419 0.41623 2.97398
73 1LL2 UPG 0.003695 0.41276 2.97398
74 3V91 UPG 0.02627 0.40615 2.97398
75 1A59 COA 0.005262 0.403 2.97398
76 1CBF SAH 0.00487 0.40021 2.97398
77 1NVV GNP 0.0001283 0.47815 3.01205
78 4BAS GNP 0.003281 0.41479 3.01508
79 1M5B BN1 0.001815 0.4636 3.04183
80 1Q6O LG6 0.0009055 0.42814 3.24074
81 2Q8H TF4 0.000784 0.47394 3.33333
82 4AMV F6R 0.0006731 0.43306 3.33333
83 3K3K A8S 0.002196 0.41974 3.33333
84 1GEX PLP HSA 0.006141 0.41056 3.33333
85 3DG6 MUC 0.001148 0.40303 3.33333
86 2NLI LAC 0.0006449 0.47834 3.34572
87 2NLI FMN 0.0006449 0.47834 3.34572
88 1GSA ADP 0.001575 0.45958 3.34572
89 3B20 NAD 0.001204 0.43904 3.34572
90 4HA6 FAD 0.006667 0.42876 3.34572
91 2HGZ PBF 0.002778 0.42284 3.34572
92 4E28 9MZ 0.006753 0.40828 3.34572
93 3M6W SAM 0.003017 0.40816 3.34572
94 1GSA GSH 0.02113 0.40534 3.34572
95 4NES UDP 0.00416 0.40495 3.34572
96 2ZI8 SDT 0.01082 0.40473 3.34572
97 4Q3R XA2 0.008989 0.40388 3.34572
98 4EPM AMP 0.008639 0.40153 3.34572
99 2D2I NAP 0.01005 0.40044 3.34572
100 3H22 B53 0.0004294 0.43797 3.367
101 1GS5 NLG 0.01434 0.4045 3.48837
102 1GS5 ANP 0.01434 0.4045 3.48837
103 2VBQ BSJ 0.0005297 0.46547 3.63636
104 2J7T 274 0.003572 0.42444 3.64238
105 2Y7P SAL 0.005387 0.40125 3.66972
106 1JH7 UVC 0.001483 0.45158 3.7037
107 3WO0 ADP 0.005475 0.42539 3.71747
108 3WO0 ALA 0.005475 0.42539 3.71747
109 3MTW M3R 0.001391 0.42101 3.71747
110 2TPL HPP 0.005155 0.41362 3.71747
111 1P9B IMO 0.007084 0.40654 3.71747
112 1O68 KIV 0.001278 0.40366 3.71747
113 2WQP WQP 0.002773 0.42601 3.72493
114 2HVW DDN 0.00149 0.41749 3.80435
115 4PO2 ASN ARG LEU LEU LEU THR GLY 0.004823 0.40995 3.82979
116 1SS4 GSH 0.003877 0.45443 3.92157
117 1SS4 CIT 0.0232 0.44805 3.92157
118 3MB5 SAM 0.006702 0.4338 3.92157
119 3UIE ADX 0.003992 0.40127 4
120 1SB8 UD2 0.00256 0.4538 4.08922
121 1SB8 NAD 0.003271 0.44575 4.08922
122 2TOH HBI 0.00749 0.40557 4.08922
123 2HGS ADP 0.007494 0.40236 4.08922
124 2HFK E4H 0.001477 0.40006 4.08922
125 2OYS FMN 0.0008954 0.43697 4.13223
126 1SG4 CO8 0.00482 0.41629 4.23077
127 1DR1 NAP 0.003719 0.43358 4.2328
128 1DR1 HBI 0.003719 0.43358 4.2328
129 2ZSC BTN 0.0005911 0.43271 4.25532
130 1L1Q 9DA 0.00399 0.40961 4.30108
131 2FQO HYI 0.009396 0.40162 4.4586
132 2CKM AA7 0.002039 0.44892 4.46097
133 1D6H COA 0.002693 0.44573 4.46097
134 3TKA SAM 0.003286 0.41477 4.46097
135 3K5X P8D 0.002313 0.40521 4.46097
136 1DXY NAD 0.01115 0.40151 4.46097
137 1Y7P RIP 0.0003055 0.41237 4.4843
138 1UAY ADN 0.001068 0.42297 4.54545
139 1JCM 137 0.00224 0.43272 4.6332
140 2HV8 GTP 0.000573 0.45027 4.65116
141 3DDC GNP 0.001058 0.4413 4.81928
142 2QJN KDG 0.00358 0.40306 4.83271
143 1MDZ DCS 0.01777 0.4006 4.83271
144 1MDZ PLP 0.0167 0.4006 4.83271
145 1T57 FMN 0.001435 0.43079 4.85437
146 1A8R GTP 0.001534 0.42582 4.97738
147 2RDT 2RD 0.007229 0.44223 5
148 4NE2 SH2 0.004256 0.42887 5
149 1GAD NAD 0.002684 0.42658 5
150 2OD9 A1R NCA 0.003497 0.42619 5
151 2QQF A1R 0.002653 0.42524 5
152 1GRO ICT 0.01011 0.42353 5
153 3JYN NDP 0.0059 0.4206 5
154 2PT9 2MH 0.006569 0.41982 5
155 3RFV 15L 0.004425 0.41779 5
156 2GSD NAD 0.007967 0.41744 5
157 2YGN PCF 0.005797 0.41584 5
158 1GVF PGH 0.0005055 0.41463 5
159 3BHO B4P 0.0189 0.41429 5
160 1V1A ADP 0.006996 0.4125 5
161 2BJK NAD 0.02825 0.40804 5
162 3S2Y FMN 0.005296 0.4029 5
163 3RFV NAI 0.0118 0.40187 5
164 1TDF NAP 0.003072 0.46162 5.20446
165 2V7T SAH 0.005192 0.45887 5.20446
166 4M51 BEZ 0.001434 0.45241 5.20446
167 4MWV BCZ 0.001354 0.4521 5.20446
168 1ME8 RVP 0.02199 0.42566 5.20446
169 1TDF FAD 0.01959 0.41098 5.20446
170 1DKU AP2 0.008442 0.40712 5.20446
171 1T0I FMN 0.004795 0.40457 5.2356
172 4B8V NDG NAG NAG NAG 0.008582 0.40613 5.26316
173 1I36 NAP 0.002493 0.42304 5.30303
174 2Q2V NAD 0.003551 0.42978 5.4902
175 3VPD ANP 0.003711 0.41269 5.57621
176 2GDZ NAD 0.0006577 0.45597 5.61798
177 3PJU C2E 0.009644 0.40407 5.62249
178 4IAE 1DX 0.03378 0.40457 5.82011
179 2GJ3 FAD 0.0002664 0.47283 5.83333
180 1WVG APR 0.000563 0.45232 5.94796
181 1GR0 NAD 0.01351 0.43335 5.94796
182 2R40 EPH 0.003121 0.42889 5.94796
183 4MOB COA 0.005278 0.42821 5.94796
184 4KQI RBZ 0.003409 0.42798 5.94796
185 4KQI NIO 0.003409 0.42798 5.94796
186 2R40 20E 0.002258 0.42644 5.94796
187 4AQL TXC 0.003038 0.41021 5.94796
188 1WVG CXY 0.004926 0.40959 5.94796
189 2Q97 ATP 0.006997 0.40355 5.94796
190 4EPL JAI 0.004735 0.40067 5.94796
191 1ULE GLA GAL NAG 0.00461 0.42891 6
192 3F81 STT 0.01245 0.41579 6.01093
193 3QDY A2G GAL 0.0002318 0.48905 6.3197
194 3QDT A2G GAL 0.0003132 0.483 6.3197
195 1NHZ 486 0.0004748 0.44979 6.3197
196 3QDY CBS 0.002869 0.43101 6.3197
197 4G1V FAD 0.02685 0.42757 6.3197
198 1KTC NGA 0.002727 0.41304 6.3197
199 1UJ2 C5P 0.005589 0.41221 6.34921
200 1Q3P GLU ALA GLN THR ARG LEU 0.002438 0.4117 6.42202
201 1V7R CIT 0.01379 0.42127 6.45161
202 2IYG FMN 0.0006711 0.41779 6.45161
203 1C1L GAL BGC 0.004162 0.42382 6.56934
204 3FC4 EDO 0.0006794 0.48002 6.66667
205 2Q1A 2KT 0.0001869 0.47495 6.66667
206 1VDC FAD 0.001515 0.46031 6.66667
207 4M5P MLA 0.004041 0.44836 6.66667
208 2E2R 2OH 0.001488 0.44676 6.66667
209 4M5P 23W 0.002217 0.44364 6.66667
210 1HFS L04 0.001839 0.44036 6.66667
211 4I71 AGV 0.001567 0.42343 6.66667
212 2H6B 3C4 0.01458 0.4219 6.66667
213 4KQL 1SG 0.02678 0.41398 6.66667
214 4KGM ATP 0.001894 0.41106 6.66667
215 4M37 SAH 0.003743 0.41069 6.66667
216 4P87 4NP 0.009376 0.40457 6.66667
217 1W3R PYR 0.01912 0.40016 6.66667
218 2RGH FAD 0.002937 0.44112 6.69145
219 3P7I P7I 0.00218 0.41691 6.69145
220 3DAG FEG 0.005226 0.41338 6.69145
221 3TFC PEP 0.003742 0.40756 6.69145
222 1PFK ADP 0.003144 0.40747 6.69145
223 1HEX NAD 0.01063 0.40373 6.69145
224 1JUV NDP 0.004992 0.41567 6.73575
225 3S9K CIT 0.005399 0.45563 6.77966
226 1TU3 GNP 0.003476 0.42052 7.01754
227 1X8X TYR 0.0003394 0.43622 7.0632
228 2YHW BM3 0.003719 0.42509 7.0632
229 1TB4 PEJ 0.006421 0.41534 7.0632
230 1M7Y PPG 0.007212 0.41327 7.0632
231 2B82 ADN 0.005685 0.40539 7.109
232 1YAG ATP 0.003723 0.41611 7.2
233 3E5H GNP 0.002433 0.42514 7.30337
234 1O9U ADZ 0.002812 0.44711 7.43494
235 3FXU TSU 0.0008647 0.44312 7.43494
236 4NM5 ADP 0.002491 0.42132 7.43494
237 1RP0 AHZ 0.04873 0.40546 7.43494
238 3DX5 DHB 0.0001744 0.44697 7.69231
239 3QP4 HL0 0.0005128 0.43757 7.69231
240 3LZW FAD 0.0061 0.42555 7.80669
241 3LZW NAP 0.01344 0.42555 7.80669
242 3CEV ARG 0.001191 0.40956 7.80669
243 3FSY SCA 0.007549 0.42005 8.17844
244 4N02 FNR 0.03019 0.4064 8.17844
245 1Y42 TYR 0.004868 0.40301 8.17844
246 3MAG 3MA 0.001991 0.46393 8.33333
247 2IZ1 ATR 0.0004182 0.45999 8.33333
248 1C0I FAD 0.00159 0.45753 8.33333
249 1C0I BE2 0.00159 0.45753 8.33333
250 2IXB A2G 0.001124 0.45668 8.33333
251 1JIL 485 0.0007393 0.4382 8.33333
252 1V5F FAD 0.03229 0.43659 8.33333
253 1V5F TPP 0.03229 0.43659 8.33333
254 1REO FAD 0.0036 0.43632 8.33333
255 1UXG NAD 0.003509 0.43573 8.33333
256 1UXG FUM 0.003509 0.43573 8.33333
257 2JFV FLC 0.001889 0.43198 8.33333
258 2Z9V PXM 0.001067 0.42927 8.33333
259 2C4I BTN 0.0009348 0.42761 8.33333
260 2ZJ3 G6P 0.002331 0.41873 8.33333
261 3RO7 TDR 0.00473 0.41806 8.33333
262 1BGQ RDC 0.004509 0.41746 8.33333
263 3BAZ NAP 0.004382 0.41646 8.33333
264 4K5S PM0 0.0162 0.41617 8.33333
265 4K5S FAD 0.007535 0.41617 8.33333
266 2Q1S NAI 0.01443 0.41426 8.33333
267 1VJO PLP 0.002238 0.41312 8.33333
268 4OJ8 2TQ 0.004199 0.41234 8.33333
269 2IXB NAD 0.009109 0.41035 8.33333
270 3MPI GRA 0.02724 0.4091 8.33333
271 1GV0 NAD 0.01126 0.4053 8.33333
272 2Y0I AKG 0.0008355 0.40323 8.33333
273 3P3N AKG 0.008961 0.403 8.33333
274 2CE7 ADP 0.003807 0.40205 8.33333
275 3KMT SAH 0.00105 0.40355 8.40336
276 2D37 NAD 0.008641 0.4074 8.52273
277 1FDJ 2FP 0.0005966 0.42991 8.55019
278 1I9G SAM 0.01967 0.41009 8.55019
279 1KYZ SAH 0.004921 0.40413 8.55019
280 4NAT ADP 0.03356 0.41806 8.75
281 4NAT 2W5 0.008655 0.41806 8.75
282 3Q9T FAY 0.0005244 0.4707 8.92193
283 1BTN I3P 0.003712 0.46469 8.92193
284 3T1A 5MA 0.002111 0.41841 8.92193
285 3UR0 SVR 0.02711 0.40318 8.92193
286 1J5P NAD 0.01178 0.4019 9.48617
287 1ZGA HMK 0.002061 0.40969 9.52381
288 2ZJF BSU 0.0003321 0.43657 9.66543
289 1LVL FAD 0.008497 0.42421 9.66543
290 1LVL NAD 0.004096 0.411 9.66543
291 1IM8 SAI 0.003315 0.41462 9.83607
292 1TIW TFB 0.0001732 0.49106 10
293 1TIW FAD 0.0001732 0.49106 10
294 1H82 FAD 0.0007467 0.48073 10
295 1Z45 NAD 0.0003946 0.46506 10
296 4MP8 NAD 0.001063 0.45654 10
297 4MP8 MLI 0.001063 0.45654 10
298 1ECC PCP 0.0004328 0.4533 10
299 1H82 GZZ 0.004595 0.4478 10
300 2G86 UMP 0.005023 0.43847 10
301 1RYI FAD 0.003588 0.43841 10
302 1RYD NDP 0.003772 0.43332 10
303 1Q11 TYE 0.001058 0.42941 10
304 1H6C NDP 0.004732 0.42916 10
305 1R27 MGD 0.004553 0.42877 10
306 1H6C SIN 0.005632 0.42804 10
307 3I51 45C 0.0004134 0.4246 10
308 3PVT 3HC 0.00743 0.42087 10
309 4A3R CIT 0.007303 0.41902 10
310 3T2W BTN 0.001006 0.41866 10
311 1QY1 PRZ 0.002682 0.41824 10
312 3O7B SAH 0.0024 0.41624 10
313 1RYI GOA 0.01337 0.4157 10
314 1LO8 4CA 0.02702 0.4138 10
315 1R37 NAD 0.01075 0.41086 10
316 1LYX PGA 0.002237 0.41081 10
317 1R37 ETX 0.0003819 0.40883 10
318 1Z45 GAL 0.0008799 0.40799 10
319 2FWP ICR 0.01339 0.40795 10
320 2HMT NAI 0.02431 0.40763 10
321 1DRV A3D 0.02451 0.40748 10
322 4W97 UCA 0.007235 0.40617 10
323 2ZX7 ZX7 0.01183 0.40503 10
324 1H9G COA MYR 0.0094 0.40452 10
325 2WIC GNP 0.008132 0.40336 10
326 3SSO SAH 0.006514 0.40307 10
327 1Z48 FMN 0.004262 0.40242 10
328 3CL7 HYN 0.009991 0.40054 10
329 2IMP LAC 0.00481 0.40643 10.4089
330 2R5T ANP 0.00003211 0.40485 10.4089
331 1SOW NAD 0.006948 0.41644 10.7807
332 3TCT 3MI 0.03078 0.40603 11.0236
333 2QLX RM4 0.0009639 0.45208 11.1111
334 1KBI PYR 0.0003201 0.46393 11.1524
335 1KBI FMN 0.0003201 0.46393 11.1524
336 3IU9 T07 0.02118 0.41668 11.1524
337 1KBJ FMN 0.004811 0.41483 11.1524
338 2Q8M FBP 0.003099 0.40772 11.1524
339 1TH8 ADP 0.000929 0.41995 11.2069
340 3A2Q ACA ACA 0.00002619 0.48967 11.6667
341 1DLJ NAI 0.003327 0.44713 11.6667
342 3JDW ORN 0.0004585 0.43942 11.6667
343 4LSJ LSJ 0.0008671 0.43751 11.6667
344 4W6Z 8ID 0.002878 0.43715 11.6667
345 4OYA 1VE 0.01805 0.43704 11.6667
346 4JK3 NAD 0.001777 0.43683 11.6667
347 2V6O FAD 0.01209 0.43557 11.6667
348 1FIQ FAD 0.002969 0.43424 11.6667
349 2DKH FAD 0.003193 0.4317 11.6667
350 2DKH 3HB 0.004622 0.4317 11.6667
351 1BUC CAA 0.001787 0.4305 11.6667
352 1QPB TPP 0.002237 0.42978 11.6667
353 1QPB PYM 0.002237 0.42978 11.6667
354 1FIQ SAL 0.003477 0.42891 11.6667
355 1DLJ UGA 0.01106 0.42424 11.6667
356 3FS8 ACO 0.02317 0.42359 11.6667
357 2JAR UMP 0.001651 0.42255 11.6667
358 3NKS FAD 0.007292 0.42121 11.6667
359 1ZFJ IMP 0.03835 0.42059 11.6667
360 3A1I UNU 0.0009136 0.42022 11.6667
361 2A0W DIH 0.006283 0.42005 11.6667
362 1HDR NAD 0.01409 0.41883 11.6667
363 2EFJ SAH 0.001848 0.41853 11.6667
364 1N6B DMZ 0.008713 0.41794 11.6667
365 1CKN GTP 0.000926 0.41497 11.6667
366 3ZOD FMN 0.005324 0.41454 11.6667
367 3ZOD HQE 0.005324 0.41454 11.6667
368 2BTO GTP 0.01245 0.41237 11.6667
369 1BUC FAD 0.01152 0.41069 11.6667
370 3MMR ABH 0.02893 0.40861 11.6667
371 1WUR 8DG 0.005256 0.40847 11.6667
372 3ZEI AWH 0.008917 0.40818 11.6667
373 2NVK FAD 0.01995 0.40641 11.6667
374 3E81 SLB 0.0005916 0.4062 11.6667
375 1FIQ MTE 0.01356 0.40197 11.6667
376 1C3V PDC 0.0005633 0.40739 11.8367
377 3OND ADN 0.008612 0.4274 11.8959
378 3OND NAD 0.008612 0.4274 11.8959
379 2NW9 FT6 0.000267 0.41878 11.8959
380 1YS4 NAP 0.001814 0.42676 12.2677
381 1FMB HYB 0.002311 0.40782 12.5
382 4LWA Q13 0.001078 0.45858 13.3333
383 3F3E LEU 0.00108 0.45624 13.3333
384 2XVF FAD 0.001237 0.45376 13.3333
385 4BMO FMN 0.0008162 0.44584 13.3333
386 3HY3 10F 0.0007005 0.44498 13.3333
387 2XVE FAD 0.005655 0.44444 13.3333
388 4MZ7 DTP 0.001522 0.44102 13.3333
389 1T0S BML 0.002601 0.44043 13.3333
390 1G8S MET 0.001246 0.43971 13.3333
391 3GWT 066 0.001931 0.43815 13.3333
392 2J0W ADP 0.0006399 0.43626 13.3333
393 1E2S CSN 0.0007516 0.42876 13.3333
394 3FC2 IBI 0.003409 0.42664 13.3333
395 2DDH HXD 0.001913 0.424 13.3333
396 3L0E G58 0.003293 0.42299 13.3333
397 4COQ SAN 0.003123 0.42263 13.3333
398 1XVV CCQ 0.008486 0.42046 13.3333
399 4IVG ANP 0.01383 0.41997 13.3333
400 2BLE 5GP 0.01951 0.41894 13.3333
401 1PGP 6PG 0.008199 0.418 13.3333
402 1NVU GTP 0.01836 0.41744 13.3333
403 2X61 CH 0.01235 0.4135 13.3333
404 2XCG XCG 0.008284 0.41079 13.3333
405 4MZ7 DGT 0.01043 0.40668 13.3333
406 2FR6 URI 0.0001841 0.40663 13.3333
407 1B9I PXG 0.007379 0.40426 13.3333
408 3NJQ NJQ 0.009595 0.40416 13.3333
409 1FP2 SAH 0.004137 0.40068 13.3333
410 3M0J OAF 0.01589 0.40033 13.3333
411 1JYQ MAZ PTR PTM ASN 0.01076 0.41302 13.5417
412 1MQ0 BRD 0.002148 0.41148 13.5714
413 1WNG SAH 0.0055 0.40415 13.5849
414 1EXB NDP 0.01322 0.43266 13.5922
415 1OTH PAO 0.001614 0.44271 13.7546
416 3ZZS TRP 0.01706 0.40351 13.8462
417 2P41 SAH 0.001692 0.42214 14.4981
418 3CBG SAH 0.0003139 0.44817 14.6552
419 4GQB 0XU 0.0008772 0.47427 15
420 4CCO OGA 0.0002571 0.45385 15
421 4OE4 NAD 0.0007981 0.45325 15
422 1XX4 BAM 0.002351 0.45088 15
423 4CKU P2F 0.002907 0.44798 15
424 1YBH FAD 0.00201 0.44708 15
425 2PTR 2SA 0.001086 0.44249 15
426 1E7S NAP 0.002687 0.43354 15
427 4KCF AKM 0.001834 0.42835 15
428 2AG8 NAP 0.001587 0.42719 15
429 4DQ2 BTX 0.003607 0.42427 15
430 1E4E ADP 0.001511 0.42404 15
431 4IU0 ABH 0.002576 0.42074 15
432 1LCP PLU 0.003533 0.42023 15
433 1RKD ADP 0.005847 0.41955 15
434 1RKD RIB 0.005847 0.41955 15
435 1R18 SAH 0.002784 0.4194 15
436 2PUL ACP 0.001762 0.41709 15
437 3Q3C NAD 0.01933 0.41502 15
438 4KCF FMN 0.01285 0.41079 15
439 4C25 13P 0.007827 0.4105 15
440 3CXO 3LR 0.009 0.40801 15
441 3CXO 1N5 0.01379 0.40289 15
442 1E4E PHY 0.004236 0.40252 15
443 1Y75 NAG 0.001955 0.41318 15.2542
444 3RK0 AMP 0.0009219 0.42281 16.3569
445 5YAS FAC 0.0003112 0.43762 16.6667
446 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.003967 0.43555 16.6667
447 4NTD FAD 0.005975 0.42593 16.6667
448 3H86 AP5 0.01336 0.4225 16.6667
449 2VAR KDG 0.001613 0.41369 16.6667
450 3HPF GAE 0.01032 0.4127 16.6667
451 4QN7 G39 0.01154 0.41066 16.6667
452 2YK7 CSF 0.004588 0.40723 16.6667
453 1EB9 HBA 0.001328 0.40684 16.6667
454 1F8F NAD 0.03698 0.40382 16.6667
455 3DCM SAM 0.004413 0.40789 17.1875
456 2V5E SCR 0.02594 0.40726 17.8218
457 1EP2 FMN 0.0001135 0.4839 18.3333
458 1EP2 ORO 0.0002022 0.48292 18.3333
459 1R6D NAD 0.0008572 0.47557 18.3333
460 2C31 TZD 0.006831 0.44637 18.3333
461 2C31 ADP 0.006632 0.44637 18.3333
462 2XDQ MGX 0.003019 0.44562 18.3333
463 4PLG OXM 0.002141 0.44371 18.3333
464 4PLG NAI 0.002141 0.44371 18.3333
465 3FPZ AHZ 0.0158 0.43234 18.3333
466 1MVN PCO 0.009583 0.43108 18.3333
467 2NX1 PEP 0.002699 0.42798 18.3333
468 2NX1 RP5 0.002778 0.42747 18.3333
469 3CKJ CIT 0.002907 0.42518 18.3333
470 3NYQ MCA 0.00507 0.42212 18.3333
471 2VPR TDC 0.001353 0.42147 18.3333
472 1P4C FMN 0.02257 0.41975 18.3333
473 4E13 NAD 0.002461 0.4197 18.3333
474 3NYQ AMP 0.006295 0.41943 18.3333
475 1R6D DAU 0.01546 0.41932 18.3333
476 3CKZ ZMR 0.01054 0.41834 18.3333
477 1ZZ7 S0H 0.002274 0.41618 18.3333
478 2C7G FAD 0.02416 0.41279 18.3333
479 4WX0 HXD 0.003101 0.40771 18.3333
480 1XMV ADP 0.03018 0.4057 18.3333
481 3BL6 FMC 0.006161 0.40034 18.3333
482 1LSS NAD 0.005605 0.40564 18.5714
483 1A27 NAP 0.003817 0.42463 18.5874
484 1RZM E4P 0.0002746 0.47632 20
485 4LXH C1E 0.0003375 0.44695 20
486 3D3W NAP 0.00209 0.43674 20
487 4AT0 FAD 0.005877 0.43465 20
488 1EZV SMA 0.001913 0.43253 20
489 1PR9 NAP 0.004721 0.42463 20
490 1QDS PGA 0.0009074 0.42033 20
491 1P9P SAH 0.002867 0.4189 20
492 4FR3 LYS ARG ARG LYS SEP VAL 0.03092 0.41515 20
493 2QF7 AGS 0.007242 0.40912 20
494 1YOE RIB 0.001529 0.40583 20
495 4QDC ASD 0.01091 0.40258 20
496 2QA1 FAD 0.0191 0.40144 20
497 1O6B ADP 0.019 0.40992 21.3018
498 3GE7 AFQ 0.001339 0.44739 21.6667
499 3CF6 SP1 0.00002918 0.44705 21.6667
500 2AQJ TRP 0.004753 0.44573 21.6667
501 4CMF PXG 0.005274 0.43837 21.6667
502 2AQJ FAD 0.008233 0.43576 21.6667
503 2R85 AMP 0.006418 0.4317 21.6667
504 4C12 ADP 0.008644 0.4305 21.6667
505 2RHW C0E 0.01411 0.42657 21.6667
506 4BCS BTN 0.001174 0.42383 21.6667
507 3TXO 07U 0.001301 0.41973 21.6667
508 2WK1 SAH 0.002549 0.41911 21.6667
509 1H9A NAP 0.008043 0.41614 21.6667
510 3LPF Z77 0.008996 0.4053 21.6667
511 3TN7 NJP 0.007415 0.41404 21.7899
512 1OLS TDP 0.02054 0.40845 22.6766
513 1I2B USQ 0.0007283 0.47955 23.3333
514 1I2B NAD 0.0007283 0.47955 23.3333
515 1I2B UPG 0.0007283 0.47955 23.3333
516 4CS4 ANP 0.0003419 0.47732 23.3333
517 1ZK4 NAP 0.006896 0.44899 23.3333
518 1ZK4 AC0 0.006896 0.44899 23.3333
519 3PNL ADP 0.0005224 0.44814 23.3333
520 1JQI CAA 0.0006534 0.44799 23.3333
521 1JQI FAD 0.001775 0.44598 23.3333
522 2XK9 XK9 0.001853 0.44279 23.3333
523 2D0V PQQ 0.002883 0.41512 23.3333
524 3T31 FAD 0.02178 0.41412 23.3333
525 1OIK C26 0.002456 0.41158 23.3333
526 4CS4 AXZ 0.0254 0.40359 23.3333
527 1PL6 572 0.01799 0.40038 23.3333
528 2P1O NLA 0.00137 0.4429 25
529 2P1O IHP 0.00137 0.4429 25
530 1XHL NDP 0.001725 0.44152 25
531 3I28 34N 0.004416 0.43919 25
532 1I0Z OXM 0.006 0.43118 25
533 2YBQ UP2 0.004772 0.42791 25
534 4GLJ RHB 0.003845 0.4271 25
535 2P1M IHP 0.003949 0.41828 25
536 3V1U NAD 0.004158 0.41738 25
537 1P72 ADP 0.006767 0.41568 25
538 2YBQ SAH 0.003294 0.41286 25
539 4R33 TRP 0.003047 0.43254 26.6667
540 4R33 SAH 0.003047 0.43254 26.6667
541 3O03 NAP 0.01184 0.42733 26.6667
542 1X54 4AD 0.003887 0.41699 26.6667
543 1D3V ABH 0.01097 0.40039 26.6667
544 1QF5 RPL 0.002848 0.44837 28.3333
545 1QF5 GDP 0.002848 0.44837 28.3333
546 1JA9 NDP 0.01074 0.43563 28.3333
547 1ZK7 FAD 0.007788 0.42761 28.3333
548 3ICC NAP 0.00683 0.41675 28.3333
549 3LM9 FRU 0.004856 0.41312 28.3333
550 4LKK SIA GAL 0.00327 0.41103 28.3333
551 3ZPG 5GP 0.01872 0.40716 28.3333
552 2F5T MAL 0.004911 0.40417 28.3333
553 3LM9 ADP 0.003051 0.40329 28.3333
554 3WCS MAN NAG GAL 0.001021 0.41843 30
555 1O7N IND 0.003519 0.41538 30
556 3W2W ATP 0.001991 0.41025 30
557 2EWM NAD 0.002017 0.43737 31.6667
558 1QO0 BMD 0.001772 0.43317 31.6667
559 4LNL PLG 0.0009966 0.42411 31.6667
560 4J7H TLO 0.003007 0.41628 31.6667
561 1PEA ACM 0.008812 0.41584 31.6667
562 4LNL 2BK 0.002245 0.41307 31.6667
563 4LNL 2BO 0.002245 0.41307 31.6667
564 4QED NAP 0.008323 0.41071 31.6667
565 3GEG NAD 0.00814 0.40846 31.6667
566 2AMV BIN 0.02557 0.40817 31.6667
567 3DNT ATP 0.007687 0.40355 31.6667
568 4J7H TRH 0.006724 0.40074 31.6667
569 4RJK PYR 0.000736 0.46583 33.3333
570 4USQ FAD 0.002684 0.43607 33.3333
571 3B96 FAD 0.003521 0.43458 33.3333
572 1EDO NAP 0.03241 0.41367 33.3333
573 3B96 MYA 0.004114 0.40908 33.3333
574 1Q0H NDP 0.007979 0.42885 35
575 1Q0H FOM 0.009594 0.42368 35
576 2B4Q NAP 0.009518 0.40831 35
577 3U4C NDP 0.00321 0.42634 36.6667
578 2ZWS PLM 0.006456 0.44756 40
579 2YB9 HA0 0.003205 0.42774 40
580 1KOL NAD 0.007075 0.4207 41.6667
581 2DTX BMA 0.008818 0.41975 41.6667
582 3SJ7 NDP 0.006008 0.4152 41.6667
583 4GYW UDP 0.0003956 0.46798 42.8571
584 1G0N NDP 0.001728 0.44877 43.3333
585 2HW1 ANP 0.0005201 0.44624 43.3333
586 1Q3Q ANP 0.01809 0.41909 43.3333
587 4AF0 IMP 0.01194 0.4212 45
588 4G4S LDZ 0.004406 0.40399 50
Pocket No.: 4; Query (leader) PDB : 2FOI; Ligand: JPA; 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: 2foi.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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