Receptor
PDB id Resolution Class Description Source Keywords
4INB 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HIV-1 CAPSID I WITH BENZODIAZEPINE INHIBITOR HUMAN IMMUNODEFICIENCY VIRUS 1 STRUCTURAL PROTEIN CAPSID VIRAL PROTEIN VIRAL PROTEIN-VIRPROTEIN INHIBITOR COMPLEX
Ref.: MONITORING BINDING OF HIV-1 CAPSID ASSEMBLY INHIBIT (19) F LIGAND-AND (15) N PROTEIN-BASED NMR AND X-RA CRYSTALLOGRAPHY: EARLY HIT VALIDATION OF A BENZODIA SERIES. CHEMMEDCHEM V. 8 405 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1F6 A:201;
Valid;
none;
ic50 = 0.89 uM
419.397 C21 H20 F3 N3 O3 CN1c2...
NA A:202;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4INB 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HIV-1 CAPSID I WITH BENZODIAZEPINE INHIBITOR HUMAN IMMUNODEFICIENCY VIRUS 1 STRUCTURAL PROTEIN CAPSID VIRAL PROTEIN VIRAL PROTEIN-VIRPROTEIN INHIBITOR COMPLEX
Ref.: MONITORING BINDING OF HIV-1 CAPSID ASSEMBLY INHIBIT (19) F LIGAND-AND (15) N PROTEIN-BASED NMR AND X-RA CRYSTALLOGRAPHY: EARLY HIT VALIDATION OF A BENZODIA SERIES. CHEMMEDCHEM V. 8 405 2013
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4J93 - 1JR C16 H12 N4 O c1ccc(cc1)....
2 4E92 - 0OG C30 H25 N5 O5 CCc1cc(n(n....
3 4E91 - 0OF C29 H22 F3 N3 O3 CCN1c2ccc(....
4 4NX4 - JPR C18 H24 Cl N3 O2 S Cc1ccc(cc1....
5 4INB ic50 = 0.89 uM 1F6 C21 H20 F3 N3 O3 CN1c2ccc(c....
6 2XDE Kd = 3.42 uM 1B0 C27 H27 N3 O2 Cc1c(c2ccc....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4J93 - 1JR C16 H12 N4 O c1ccc(cc1)....
2 4E92 - 0OG C30 H25 N5 O5 CCc1cc(n(n....
3 4E91 - 0OF C29 H22 F3 N3 O3 CCN1c2ccc(....
4 4NX4 - JPR C18 H24 Cl N3 O2 S Cc1ccc(cc1....
5 4INB ic50 = 0.89 uM 1F6 C21 H20 F3 N3 O3 CN1c2ccc(c....
6 2XDE Kd = 3.42 uM 1B0 C27 H27 N3 O2 Cc1c(c2ccc....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4QNB Kd = 0.26 uM 1B0 C27 H27 N3 O2 Cc1c(c2ccc....
2 5HGM - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
3 4XRQ Kd = 0.086 uM 1B0 C27 H27 N3 O2 Cc1c(c2ccc....
4 5HGP - BHC C12 H6 O12 c1(c(c(c(c....
5 4U0E Kd = 0.12 uM 1B0 C27 H27 N3 O2 Cc1c(c2ccc....
6 4U0F Kd = 1.2 uM 3A8 C17 H13 N3 O2 c1ccc(cc1)....
7 4J93 - 1JR C16 H12 N4 O c1ccc(cc1)....
8 4E92 - 0OG C30 H25 N5 O5 CCc1cc(n(n....
9 4E91 - 0OF C29 H22 F3 N3 O3 CCN1c2ccc(....
10 4NX4 - JPR C18 H24 Cl N3 O2 S Cc1ccc(cc1....
11 4INB ic50 = 0.89 uM 1F6 C21 H20 F3 N3 O3 CN1c2ccc(c....
12 2XDE Kd = 3.42 uM 1B0 C27 H27 N3 O2 Cc1c(c2ccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1F6; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1F6 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4INB; Ligand: 1F6; Similar sites found: 520
This union binding pocket(no: 1) in the query (biounit: 4inb.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 CIT 0.00008182 0.60766 None
2 1BTN I3P 0.00008234 0.5709 None
3 1UO5 PIH 0.00007216 0.56784 None
4 1JGS SAL 0.00007301 0.56756 None
5 3BY8 MLT 0.0001072 0.51058 None
6 4F4S EFO 0.00008922 0.48838 None
7 2OWZ CIT 0.0002878 0.48224 None
8 1OGD RIP 0.000144 0.47972 None
9 1H8G CHT 0.003667 0.47394 None
10 1SS4 GSH 0.005139 0.47182 None
11 1PTR PRB 0.0009892 0.46591 None
12 2XI7 XI7 0.007155 0.45793 None
13 1Y1A GSH 0.007284 0.45733 None
14 1POC GEL 0.00007729 0.45226 None
15 3MD0 GDP 0.0005913 0.44789 None
16 1Q3P GLU ALA GLN THR ARG LEU 0.000867 0.44119 None
17 2GJ3 FAD 0.00003121 0.44005 None
18 2PR5 FMN 0.000141 0.43815 None
19 3G4Q MCH 0.002787 0.4359 None
20 4DQ2 BTX 0.0003405 0.43553 None
21 1N9L FMN 0.0001766 0.43485 None
22 1G8S MET 0.003874 0.43186 None
23 1OGZ EQU 0.0008794 0.42992 None
24 1BGQ RDC 0.0004949 0.42668 None
25 1UW1 ADP 0.004092 0.42478 None
26 1ULE GLA GAL NAG 0.006992 0.4204 None
27 3K56 IS3 0.00136 0.41792 None
28 1LYX PGA 0.001884 0.41272 None
29 1QY1 PRZ 0.0004296 0.41227 None
30 4FFS BIG 0.000279 0.4074 None
31 2Q8M AMP 0.003488 0.40725 None
32 2GTE VA 0.006464 0.40535 None
33 1X92 M7P 0.004038 0.40484 None
34 1V2X SAM 0.00106 0.40454 None
35 1YFZ IMP 0.01217 0.40434 None
36 2OI2 DP6 0.000275 0.404 None
37 3F8C HT1 0.01266 0.40359 None
38 1NXJ TLA 0.002318 0.403 None
39 1QR0 COA 0.00641 0.40155 None
40 1OW4 2AN 0.01831 0.40088 None
41 1NXJ GLV 0.008768 0.40066 None
42 1GAD NAD 0.002914 0.40029 None
43 1RYI GOA 0.00009201 0.57446 1.36986
44 2FR6 CTN 0.00003049 0.46061 1.36986
45 4JCA CIT 0.007434 0.44765 1.36986
46 2FR6 URI 0.00009719 0.44361 1.36986
47 1NF8 BOG 0.004461 0.4356 1.36986
48 1XHL NDP 0.0008261 0.42652 1.36986
49 3O03 NAP 0.003652 0.42585 1.36986
50 4O1M NAD 0.0008866 0.42261 1.36986
51 4IN9 SER TRP PHE PRO 0.03414 0.42142 1.36986
52 1TDF FAD 0.003252 0.42042 1.36986
53 1NF8 ISC 0.001811 0.41803 1.36986
54 3GTD MLI 0.00783 0.41262 1.36986
55 2DTJ THR 0.003551 0.41158 1.36986
56 1TDF NAP 0.01904 0.40559 1.36986
57 2C2A ADP 0.001216 0.41072 1.93798
58 4RJK PYR 0.0001163 0.51895 2.05479
59 4KCT PYR 0.00004935 0.49133 2.05479
60 3LTW HLZ 0.0004327 0.47434 2.05479
61 1RZM E4P 0.0006529 0.47426 2.05479
62 1EB9 HBA 0.00008295 0.46874 2.05479
63 2QGI UDP 0.001869 0.43945 2.05479
64 3BL6 FMC 0.0004082 0.41465 2.05479
65 3I8P 840 0.001302 0.41403 2.05479
66 1MXI SAH 0.0007565 0.41351 2.05479
67 1B5E DCM 0.004268 0.41329 2.05479
68 4KCT FDP 0.002427 0.41322 2.05479
69 1RZM PEP 0.005887 0.41262 2.05479
70 1B55 4IP 0.002264 0.40978 2.05479
71 1T0I FMN 0.000978 0.40974 2.05479
72 1XIU REA 0.002395 0.40049 2.05479
73 1Y2W NAG 0.003823 0.43212 2.11268
74 1MQ0 BRD 0.0003374 0.44018 2.14286
75 3MBG FAD 0.0009499 0.41534 2.15827
76 3U5S FAD 0.001624 0.40039 2.38095
77 1Y75 NAG 0.0002143 0.46565 2.54237
78 4Q3F TLA 0.005573 0.40861 2.5641
79 1O9U ADZ 0.00007468 0.53967 2.73973
80 2VQ5 LDP 0.002569 0.46258 2.73973
81 2Q37 3AL 0.0005644 0.46185 2.73973
82 4COQ SAN 0.001163 0.45519 2.73973
83 1Y9Q MED 0.001719 0.44762 2.73973
84 3BK2 U5P 0.000333 0.44589 2.73973
85 2VQ5 HBA 0.003758 0.43906 2.73973
86 1NML CIT 0.001696 0.43515 2.73973
87 1HQL GLA MBG 0.005554 0.43119 2.73973
88 1EYQ NAR 0.001566 0.43084 2.73973
89 4F2Q QUS 0.0006186 0.4305 2.73973
90 1V2G OCA 0.0000355 0.42976 2.73973
91 4JRB PGT 0.001014 0.42758 2.73973
92 1IQ7 NAG 0.002149 0.42717 2.73973
93 3UIE ANP 0.001613 0.42498 2.73973
94 3JQ3 ADP 0.001889 0.42229 2.73973
95 2R5T ANP 0.0002335 0.41486 2.73973
96 3HY3 10F 0.0008096 0.4142 2.73973
97 1P9P SAH 0.0007223 0.414 2.73973
98 3UIE ADX 0.001785 0.41358 2.73973
99 1IYE PGU 0.001995 0.41171 2.73973
100 1K12 FUC 0.01766 0.41002 2.73973
101 1VPD TLA 0.01982 0.40917 2.73973
102 4M37 SAH 0.0008002 0.40855 2.73973
103 4NM5 ADP 0.0004792 0.40649 2.73973
104 3V1V GST 0.001845 0.40442 2.73973
105 2WW2 SWA 0.03169 0.40103 2.73973
106 3P13 RIP 0.01734 0.41049 2.77778
107 3A1I UNU 0.001567 0.42547 2.87908
108 1JAC AMG 0.007777 0.44662 3.00752
109 2F01 BTQ 0.01757 0.40409 3.14961
110 2F01 BTN 0.02181 0.4004 3.14961
111 3S9K CIT 0.03263 0.43994 3.38983
112 3ZGE ASP 0.0002841 0.50028 3.42466
113 2YD6 FLC 0.00182 0.49437 3.42466
114 2HFK E4H 0.0001316 0.48136 3.42466
115 9LDB OXM 0.002178 0.47566 3.42466
116 4B9E FAH 0.001069 0.46434 3.42466
117 2IZ1 ATR 0.001085 0.45654 3.42466
118 1SQ5 PAU 0.0006234 0.45325 3.42466
119 3SHR CMP 0.0003945 0.44885 3.42466
120 1Q6O LG6 0.0001432 0.44827 3.42466
121 4ME6 ADP 0.001285 0.44647 3.42466
122 9LDT OXM 0.009333 0.44244 3.42466
123 1ZED PNP 0.004144 0.43709 3.42466
124 1F5F DHT 0.0003337 0.43021 3.42466
125 2PT9 2MH 0.0008136 0.42943 3.42466
126 3QV9 QV7 0.003285 0.4289 3.42466
127 2J7T 274 0.0005597 0.42805 3.42466
128 1SQ5 ADP 0.001378 0.42253 3.42466
129 2B7N NTM 0.004632 0.42246 3.42466
130 1KDK DHT 0.0001299 0.42214 3.42466
131 1H5T TYD 0.00677 0.41763 3.42466
132 1WNG SAH 0.0004371 0.41719 3.42466
133 3UDG TMP 0.02204 0.41556 3.42466
134 1F1V DHY 0.004367 0.41289 3.42466
135 1HSJ GLC 0.04746 0.41223 3.42466
136 2Q8H TF4 0.02325 0.41201 3.42466
137 3E6J DR2 0.03058 0.41165 3.42466
138 3LST SAH 0.002688 0.41154 3.42466
139 5EQU AKG 0.01989 0.4113 3.42466
140 4G1V FAD 0.00167 0.40858 3.42466
141 1MRH FMC 0.0201 0.40714 3.42466
142 1UJ5 5RP 0.01398 0.40268 3.42466
143 2W3L DRO 0.00148 0.4746 3.47222
144 2BOI MFU 0.002822 0.42594 3.53982
145 1RYD GLC 0.01032 0.41283 3.61757
146 3MAG 3MA 0.0006243 0.50413 4.10959
147 2VDJ HSE 0.0003662 0.49498 4.10959
148 2Q3M MLA 0.0006079 0.494 4.10959
149 1GPJ CIT 0.0002857 0.48238 4.10959
150 3P7I P7I 0.0001327 0.48121 4.10959
151 4UAL 3FV 0.00001742 0.47473 4.10959
152 1WRA PC 0.000812 0.46988 4.10959
153 1O68 KIV 0.0003142 0.46563 4.10959
154 1B74 DGN 0.001967 0.45984 4.10959
155 3SCH TB6 0.001028 0.45757 4.10959
156 4C2G ALA ALA ALA ALA 0.0003542 0.45686 4.10959
157 1P72 THM 0.0007056 0.45101 4.10959
158 3MCT 3MC 0.0007579 0.44971 4.10959
159 1ZUW DGL 0.0006794 0.44546 4.10959
160 1E2S CSN 0.0002604 0.44431 4.10959
161 2EB5 OXL 0.002501 0.44035 4.10959
162 1C3V PDC 0.001935 0.43881 4.10959
163 4PTZ FMN 0.0002392 0.43523 4.10959
164 2V7T SAH 0.005417 0.43482 4.10959
165 3E81 SLB 0.002955 0.43088 4.10959
166 3T1A 5MA 0.0002758 0.42831 4.10959
167 2GDZ NAD 0.0007176 0.42582 4.10959
168 4IHQ ADP 0.002674 0.42148 4.10959
169 4B4D FAD 0.0002265 0.42084 4.10959
170 2ORV 4TA 0.00009685 0.41765 4.10959
171 3D2Y AH0 ALA FGA LYS 0.0005767 0.41749 4.10959
172 3RHZ UDP 0.0006504 0.41573 4.10959
173 1R5A GTS 0.004435 0.41261 4.10959
174 1TU3 GNP 0.001148 0.41253 4.10959
175 2H6B 3C4 0.01305 0.40322 4.10959
176 4I71 AGV 0.0009542 0.40204 4.10959
177 3ZCB ATP 0.01317 0.40018 4.10959
178 2OFD NGA 0.002259 0.44232 4.22535
179 2OFE NAG 0.003527 0.43368 4.22535
180 4W6Z ETF 0.0002348 0.51472 4.79452
181 2BZ1 TAU 0.0009555 0.50611 4.79452
182 2YIV YIV 0.00031 0.49846 4.79452
183 2V5E SCR 0.003662 0.46381 4.79452
184 4LHM AZZ 0.0007439 0.45668 4.79452
185 3I7S PYR 0.002301 0.45655 4.79452
186 5D63 FUC GLA GLA 0.001295 0.45311 4.79452
187 4LSJ LSJ 0.00004586 0.45171 4.79452
188 1QO0 BMD 0.001495 0.45033 4.79452
189 1M2Z BOG 0.00271 0.44989 4.79452
190 3I0O SMI 0.001092 0.4495 4.79452
191 1UCN ADP 0.0002051 0.44812 4.79452
192 4FGC PQ0 0.001377 0.44517 4.79452
193 2YIV NBN 0.003213 0.44221 4.79452
194 2HW1 FRU 0.001615 0.44218 4.79452
195 1XMV ADP 0.001082 0.44189 4.79452
196 4AQL TXC 0.0002205 0.43646 4.79452
197 2OHV NHL 0.001242 0.43491 4.79452
198 3I0O ADP 0.0009978 0.43312 4.79452
199 4CCO OGA 0.002193 0.4305 4.79452
200 1PEA ACM 0.007995 0.43047 4.79452
201 1UF5 CDT 0.001371 0.42773 4.79452
202 2Y6P CTP 0.001407 0.42729 4.79452
203 4OYA 1VE 0.01204 0.42435 4.79452
204 3V1S 0LH 0.008756 0.42179 4.79452
205 1H0C AOA 0.01012 0.41909 4.79452
206 4IMG NGF 0.0004103 0.41809 4.79452
207 2PWY SAH 0.0006607 0.41717 4.79452
208 1XMY ROL 0.01055 0.41689 4.79452
209 1NN5 ANP 0.001524 0.41442 4.79452
210 1NN5 2DT 0.001524 0.41442 4.79452
211 3ZLM ANP 0.0007071 0.407 4.79452
212 4HZX G39 0.004981 0.4069 4.79452
213 4JUI EGR 0.02179 0.40533 4.79452
214 2HW1 ANP 0.0007335 0.40447 4.79452
215 1WTC ACP 0.02525 0.40056 4.79452
216 1FHX 4IP 0.0176 0.41012 5.42636
217 4LIT AKG 0.00006252 0.50298 5.47945
218 3F81 STT 0.0004451 0.50079 5.47945
219 3ZPG 5GP 0.0004535 0.50038 5.47945
220 2R00 OEG 0.0006863 0.47326 5.47945
221 3RGG AIR 0.00009453 0.47307 5.47945
222 1GJW GLC 0.001358 0.45953 5.47945
223 3ZF8 GDP 0.0002106 0.45949 5.47945
224 1QZZ SAM 0.0002466 0.44518 5.47945
225 1EDO NAP 0.002498 0.43918 5.47945
226 1Q11 TYE 0.002225 0.43024 5.47945
227 2BLE 5GP 0.003484 0.4281 5.47945
228 2PUL ACP 0.0005289 0.42801 5.47945
229 3DG6 MUC 0.001075 0.42168 5.47945
230 1A27 EST 0.00093 0.41925 5.47945
231 4E28 9MZ 0.007512 0.419 5.47945
232 1R6W 164 0.0009932 0.41823 5.47945
233 3DGB MUC 0.00184 0.41778 5.47945
234 4LXH C1E 0.001024 0.4133 5.47945
235 3A2Q ACA ACA 0.001025 0.41329 5.47945
236 2ZO9 MLI 0.002808 0.41316 5.47945
237 1JIL 485 0.0007072 0.41032 5.47945
238 4E28 0MZ 0.0127 0.40353 5.47945
239 3PC3 P1T 0.0008888 0.40224 5.47945
240 3QDW A2G 0.00105 0.48209 5.59441
241 3QDT A2G GAL 0.0026 0.45399 5.59441
242 3QDY A2G GAL 0.009942 0.42589 5.59441
243 3QDW NDG 0.008521 0.42256 5.59441
244 3QDY CBS 0.01573 0.41016 5.59441
245 2ZSC BTN 0.001479 0.41658 5.67376
246 4A6F SEP 0.001895 0.47883 5.83333
247 3WUD GLC GAL 0.003461 0.44801 5.88235
248 1QH9 LAC 0.0003438 0.4788 6.16438
249 1H2K OGA 0.001086 0.45652 6.16438
250 3P3N AKG 0.001092 0.45641 6.16438
251 2XUM OGA 0.001147 0.45546 6.16438
252 3MTW M3R 0.0001256 0.4503 6.16438
253 1U5R ATP 0.0001276 0.45006 6.16438
254 1H2M OGA 0.001618 0.44879 6.16438
255 2JFV FLC 0.002209 0.44276 6.16438
256 1GSA ADP 0.001091 0.43905 6.16438
257 2P69 PLP 0.00214 0.43692 6.16438
258 2WA4 069 0.0005882 0.43653 6.16438
259 2DTX BMA 0.0009352 0.43331 6.16438
260 4B7E OGA 0.003689 0.42673 6.16438
261 1NVU GTP 0.003326 0.42588 6.16438
262 4ARF IP8 GLY PRO ALA 0.00009101 0.42553 6.16438
263 3UER TUR 0.001271 0.42386 6.16438
264 3UER BTU 0.001271 0.42386 6.16438
265 2Y0I AKG 0.005075 0.42075 6.16438
266 1KTC NGA 0.004264 0.41847 6.16438
267 4NAO AKG 0.0109 0.41759 6.16438
268 2XK9 XK9 0.002001 0.41553 6.16438
269 3LM9 ADP 0.002139 0.41529 6.16438
270 2QF7 COA 0.001676 0.41458 6.16438
271 1E4E PHY 0.001351 0.41346 6.16438
272 4HZO COA 0.006853 0.40987 6.16438
273 1GSA GSH 0.0006575 0.40761 6.16438
274 1I0Z OXM 0.0323 0.40711 6.16438
275 2CKM AA7 0.006694 0.40419 6.16438
276 1ECM TSA 0.0001323 0.47408 6.42202
277 1H8P PC 0.002986 0.4593 6.42202
278 3T2W BTN 0.0007502 0.43795 6.55738
279 2BO4 FLC 0.00002839 0.53727 6.84932
280 3I6B KDO 0.00005383 0.49751 6.84932
281 4OB6 S2T 0.00009723 0.45427 6.84932
282 1OIK AKG 0.001506 0.45018 6.84932
283 4M51 BEZ 0.003156 0.44994 6.84932
284 1AX2 NDG GAL 0.001359 0.43916 6.84932
285 3EJ0 11X 0.00204 0.43476 6.84932
286 2Q09 DI6 0.001332 0.43367 6.84932
287 4JEJ 1GP 0.0007413 0.43273 6.84932
288 3I51 45C 0.0007456 0.43263 6.84932
289 3E5P PPI 0.04173 0.43225 6.84932
290 2EJU SAH 0.0002517 0.42965 6.84932
291 2PP3 LGT 0.0008245 0.42591 6.84932
292 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.001756 0.42444 6.84932
293 2YKX AKG 0.008468 0.42268 6.84932
294 4KCF AKM 0.0004892 0.42156 6.84932
295 2BGM NAJ 0.005192 0.41999 6.84932
296 4IXW IXW 0.003273 0.41794 6.84932
297 1OTH PAO 0.001514 0.41726 6.84932
298 4WVH ASP HIS ASP ALA HIS ALA 0.003558 0.41648 6.84932
299 1OIK C26 0.001188 0.41546 6.84932
300 1R27 MGD 0.002451 0.41478 6.84932
301 4AIG FLX 0.003594 0.41138 6.84932
302 3ZRR PXG 0.0006733 0.41102 6.84932
303 1OFH ADP 0.009289 0.41099 6.84932
304 3NFZ 3NF 0.00298 0.40984 6.84932
305 1F3L SAH 0.0003586 0.40829 6.84932
306 3NOJ PYR 0.008628 0.4082 6.84932
307 1JA9 NDP 0.01643 0.407 6.84932
308 3G58 988 0.01449 0.40584 6.84932
309 3L6R MLI 0.02006 0.40524 6.84932
310 3ZS7 ATP 0.0005464 0.40256 6.84932
311 4KCF FMN 0.005818 0.40237 6.84932
312 3CL7 HYN 0.002149 0.40163 6.84932
313 3UEC ALA ARG TPO LYS 0.0259 0.40004 6.84932
314 4G28 0W8 0.00006985 0.48526 6.86275
315 3Q3C NAD 0.002653 0.42801 7.02341
316 4M5P MLA 0.000102 0.54539 7.53425
317 1JN2 SFP 0.008678 0.47693 7.53425
318 2CE7 ADP 0.0001541 0.45268 7.53425
319 3CQ5 PMP 0.0005009 0.45079 7.53425
320 1I1Q TRP 0.0005089 0.45052 7.53425
321 1WHT BZS 0.001642 0.44851 7.53425
322 3L24 GOA 0.005482 0.44604 7.53425
323 4HA6 PXM 0.002035 0.43786 7.53425
324 2P41 G1G 0.001115 0.4368 7.53425
325 4M5P 23W 0.00773 0.43118 7.53425
326 4M5P FMN 0.0001627 0.42492 7.53425
327 4USQ FAD 0.002481 0.41221 7.53425
328 1GVF PGH 0.006295 0.41141 7.53425
329 1WGC SIA GAL BGC 0.03861 0.40977 7.53425
330 1T8U A3P 0.000891 0.40702 7.53425
331 1SOW NAD 0.003276 0.40544 7.53425
332 1GEG GLC 0.02687 0.40505 7.53425
333 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0014 0.4044 7.53425
334 1I0B PEL 0.02337 0.40371 7.53425
335 2H3H BGC 0.01657 0.403 7.53425
336 3PNL ADP 0.00179 0.40084 7.53425
337 2ZJ3 G6P 0.00143 0.40027 7.53425
338 4F8L GAL 0.03081 0.42276 7.58621
339 2JGS BTN 0.008211 0.40911 7.69231
340 6FIV 3TL 0.0001182 0.45692 7.9646
341 4NPT 017 0.001313 0.42846 8.08081
342 3EW2 BTN 0.003726 0.41567 8.14815
343 1FP2 SAH 0.00004907 0.47095 8.21918
344 3Q9T FAY 0.0002435 0.45331 8.21918
345 1DXY COI 0.004024 0.45279 8.21918
346 1ZGA HMK 0.0003843 0.44353 8.21918
347 1UOU CMU 0.0004177 0.43677 8.21918
348 2HVW DDN 0.0004982 0.43396 8.21918
349 1ZGA SAH 0.0006522 0.42966 8.21918
350 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01228 0.42146 8.21918
351 3VKX T3 0.0003899 0.41988 8.21918
352 2EFJ SAH 0.00029 0.41429 8.21918
353 1ZZ7 S0H 0.005833 0.41279 8.21918
354 3EYK EYK 0.03527 0.41109 8.21918
355 2JBH 5GP 0.004977 0.41059 8.21918
356 1FP2 HMO 0.001938 0.40786 8.21918
357 3GQT UFO 0.01117 0.40731 8.21918
358 2HVW DCP 0.002703 0.40695 8.21918
359 4A6D SAM 0.0009679 0.40584 8.21918
360 1R89 CTP 0.002473 0.40408 8.21918
361 2P8O BVA 0.0008547 0.41603 8.24742
362 2WCV FUC 0.0007245 0.44434 8.57143
363 4BCS BTN 0.001862 0.40848 8.8
364 2IYG FMN 0.0002187 0.4528 8.87097
365 4B16 NAG 0.001523 0.48381 8.90411
366 2W8Q SIN 0.0007545 0.47135 8.90411
367 1P9B HDA 0.0007368 0.45686 8.90411
368 1PR9 NAP 0.000433 0.43781 8.90411
369 1CKM GTP 0.001583 0.43066 8.90411
370 2Q1A 2KT 0.004696 0.42813 8.90411
371 2DWU DGL 0.001921 0.42727 8.90411
372 2ZJ5 ADP 0.00422 0.42421 8.90411
373 1VQ2 DDN 0.0005936 0.42153 8.90411
374 1P9B GDP 0.0008319 0.41644 8.90411
375 2QJN KDG 0.002684 0.40706 8.90411
376 3O94 NCA 0.02368 0.40338 8.90411
377 1CKN GTP 0.007746 0.40283 8.90411
378 1P9B IMO 0.000297 0.40189 8.90411
379 1YRX FMN 0.00381 0.40146 9.09091
380 1AUA BOG 0.0002517 0.46964 9.58904
381 1T3D CYS 0.001201 0.46201 9.58904
382 1Z42 HBA 0.007511 0.46007 9.58904
383 1T26 GBD 0.002211 0.45263 9.58904
384 1T26 NAI 0.002211 0.45263 9.58904
385 2Z9V PXM 0.000765 0.44954 9.58904
386 1Z42 FMN 0.0003764 0.44388 9.58904
387 1Z44 FMN 0.0003344 0.44032 9.58904
388 1Z41 FMN 0.0002522 0.43949 9.58904
389 3K3K A8S 0.00009281 0.43931 9.58904
390 1Z48 FMN 0.0002672 0.43859 9.58904
391 3CEV ARG 0.00128 0.43438 9.58904
392 1X8X TYR 0.001132 0.43098 9.58904
393 1V5F TPP 0.02403 0.42379 9.58904
394 1V5F FAD 0.02403 0.42379 9.58904
395 1YBH P22 0.001878 0.42239 9.58904
396 1WDA BAG 0.002725 0.42115 9.58904
397 1E5F PLP 0.001076 0.41699 9.58904
398 1UBY DMA 0.0008847 0.41551 9.58904
399 1B8U OAA 0.001998 0.41302 9.58904
400 1Z44 NPO 0.04893 0.41149 9.58904
401 4EPL JAI 0.002151 0.40624 9.58904
402 1O7N IND 0.0004959 0.40589 9.58904
403 2ZJF BSU 0.005063 0.40556 9.58904
404 1Z6K OAA 0.001714 0.42141 9.89761
405 3G08 FEE 0.02184 0.40973 10.101
406 2QLX RM4 0.0001396 0.50526 10.1852
407 2F2U M77 0.00004897 0.48421 10.274
408 2XDQ MGX 0.001524 0.47397 10.274
409 3PLN U5P 0.001215 0.44118 10.274
410 1A59 CIT 0.005578 0.4311 10.274
411 3CXO 1N5 0.0008567 0.42457 10.274
412 3SQG COM 0.02468 0.42012 10.274
413 1YHM AHD 0.005737 0.41845 10.274
414 3CXO 3LR 0.001164 0.41704 10.274
415 2YVF FAD 0.01123 0.40915 10.274
416 2YVF NAD 0.01168 0.40915 10.274
417 3SQG TP7 0.002056 0.40694 10.274
418 3JDW ORN 0.0005219 0.40378 10.274
419 4IOK ADP 0.002614 0.40191 10.274
420 4K30 NLG 0.01137 0.40068 10.274
421 1TH8 ADP 0.006688 0.40083 10.3448
422 1FMB HYB 0.0122 0.40549 10.5769
423 3CBG FER 0.003647 0.45494 10.9589
424 2ZWS PLM 0.02023 0.43294 10.9589
425 2HVK TBA 0.004057 0.43097 10.9589
426 1U18 HSM 0.01591 0.42901 10.9589
427 2YBQ UP2 0.0009918 0.42888 10.9589
428 4AMV F6R 0.0006115 0.42576 10.9589
429 3CBG 4FE 0.021 0.42384 10.9589
430 1D09 PAL 0.01438 0.42363 10.9589
431 1H9G COA MYR 0.0006336 0.42301 10.9589
432 1C7S CBS 0.002143 0.41527 10.9589
433 2VAR KDF 0.0001058 0.46473 11.6438
434 2QCX PF1 0.0005466 0.46245 11.6438
435 2VAR KDG 0.0001382 0.46035 11.6438
436 3RKR NAP 0.0005441 0.4434 11.6438
437 1GU3 BGC BGC BGC BGC BGC 0.00182 0.43387 11.6438
438 4U9W SER GLY ARG GLY LYS NH2 0.002995 0.43368 11.6438
439 2VAR AMP 0.001027 0.43263 11.6438
440 2VAR ANP 0.0002952 0.41745 11.6438
441 4U9W COA 0.0005926 0.41494 11.6438
442 2F5T MAL 0.0009923 0.40953 11.6438
443 3N5O GSH 0.0005696 0.40945 11.6438
444 1ZFJ IMP 0.03299 0.4054 11.6438
445 4ASJ N6A 0.0003102 0.40322 11.6438
446 1X54 4AD 0.00232 0.40051 11.6438
447 4LFL TG6 0.0003768 0.44963 11.7284
448 4GYW UDP 0.00006271 0.46594 12.3288
449 1FIQ SAL 0.0001036 0.45827 12.3288
450 1FIQ MTE 0.00008942 0.45733 12.3288
451 1V6A TRE 0.0008211 0.45484 12.3288
452 1FIQ FAD 0.0004063 0.44015 12.3288
453 1Y42 TYR 0.001734 0.43475 12.3288
454 4Q0A 4OA 0.0001953 0.43337 12.3288
455 1QB7 ADE 0.001921 0.42201 12.3288
456 1XX4 BAM 0.006815 0.41255 12.3288
457 1I4D GDP 0.01695 0.4066 12.3288
458 1C1L GAL BGC 0.00186 0.45321 12.4088
459 1DL7 NCH 0.03257 0.42141 12.844
460 1PX8 XYP 0.0008752 0.45364 13.0137
461 1I2L DCS 0.00004507 0.44962 13.0137
462 1H2B OCA 0.003771 0.42631 13.0137
463 2NVK NAP 0.003582 0.42162 13.0137
464 3B9Z CO2 0.0246 0.41178 13.0137
465 1NZY BCA 0.001498 0.41174 13.0137
466 3VPD ANP 0.001067 0.40644 13.0137
467 3IHB TRS 0.0008307 0.53356 13.6986
468 3KJQ B94 0.00009427 0.46664 13.6986
469 1UXG FUM 0.0006248 0.4385 13.6986
470 1UXG NAD 0.0006248 0.4385 13.6986
471 2NLI FMN 0.006864 0.41079 13.6986
472 2NLI LAC 0.006864 0.41079 13.6986
473 1TV5 N8E 0.02764 0.41026 13.6986
474 4C6F NCD 0.003896 0.41001 13.6986
475 4C6F DOR 0.003896 0.41001 13.6986
476 3IHB GLU 0.01608 0.40972 13.6986
477 1UWZ THU 0.000245 0.41232 13.9706
478 1YOE RIB 0.0005367 0.44959 14.3836
479 1CBF SAH 0.0002094 0.44237 14.3836
480 1FBL HTA 0.0009511 0.43393 14.3836
481 3V91 UPG 0.0001692 0.41767 14.3836
482 3TXO 07U 0.0001281 0.41673 14.3836
483 1S8F GDP 0.001688 0.41447 14.3836
484 3PNA CMP 0.004524 0.41227 14.3836
485 3RK0 AMP 0.003419 0.40758 14.3836
486 1Z45 GAL 0.008435 0.4061 14.3836
487 1Z45 UPG 0.0017 0.40163 14.3836
488 4O8A 2OP 0.0006736 0.49176 15.0685
489 5YAS FAC 0.0001493 0.4039 15.0685
490 3V1U NAD 0.001747 0.40632 15.7534
491 1EYE PMM 0.004411 0.40338 15.7534
492 3TKA CTN 0.0003769 0.54455 16.4384
493 2Y7P SAL 0.01742 0.41035 16.4384
494 3TKA SAM 0.000822 0.40302 16.4384
495 3O2K QRP 0.0001398 0.46643 17.1233
496 3O2K DST 0.002118 0.43113 17.1233
497 1KYZ SAH 0.001099 0.40803 17.1233
498 4AF5 CIT 0.0002186 0.48757 17.8082
499 1H16 PYR 0.001175 0.4706 17.8082
500 1KC7 PPR 0.002211 0.44974 17.8082
501 1W7J ADP BEF 0.001697 0.40568 17.8082
502 1FWE HAE 0.005851 0.40776 18
503 1SC3 MLI 0.0005605 0.48608 18.1818
504 4JWX 1N4 0.0005421 0.45577 18.4932
505 4JP3 CIT 0.001911 0.41715 19.1781
506 2F59 INI 0.0001816 0.43444 19.863
507 1M1B SPV 0.002919 0.43111 19.863
508 1Q3Q ANP 0.001238 0.44383 20.5479
509 2QDT I38 0.000946 0.41899 21.9178
510 1T0S BML 0.0004725 0.48965 22.093
511 2C31 TZD 0.01028 0.41677 22.6027
512 2C31 ADP 0.009944 0.41677 22.6027
513 4IVG ANP 0.002661 0.42629 23.2877
514 3QP6 HL6 0.008881 0.40812 23.2877
515 4USS GSH 0.002575 0.42759 23.9726
516 3PJU C2E 0.0007397 0.4207 24.6575
517 1NP0 NGT 0.005568 0.42482 25.8621
518 1QDS PGA 0.000333 0.45172 28.0822
519 1NU4 MLA 0.04364 0.41428 29.8969
520 1A5V Y3 0.003801 0.42616 32.8767
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