Receptor
PDB id Resolution Class Description Source Keywords
4UAL 1.71 Å EC: 2.7.11.1 MRCK BETA IN COMPLEX WITH BDP00005290 HOMO SAPIENS MYOTONIC DYSTROPHY KINASE-RELATED CDC42-BINDING KINASE METACELL INVASION TRANSFERASE
Ref.: A NOVEL SMALL-MOLECULE MRCK INHIBITOR BLOCKS CANCER INVASION. CELL COMMUN. SIGNAL V. 12 54 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:503;
A:502;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
EDO A:504;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
3FV A:501;
Valid;
none;
Ki = 4 nM
371.824 C17 H18 Cl N7 O c1ccn...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UAL 1.71 Å EC: 2.7.11.1 MRCK BETA IN COMPLEX WITH BDP00005290 HOMO SAPIENS MYOTONIC DYSTROPHY KINASE-RELATED CDC42-BINDING KINASE METACELL INVASION TRANSFERASE
Ref.: A NOVEL SMALL-MOLECULE MRCK INHIBITOR BLOCKS CANCER INVASION. CELL COMMUN. SIGNAL V. 12 54 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 4UAK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4UAL Ki = 4 nM 3FV C17 H18 Cl N7 O c1ccnc(c1)....
3 3TKU ic50 = 1.92 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 4UAK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4UAL Ki = 4 nM 3FV C17 H18 Cl N7 O c1ccnc(c1)....
3 3TKU ic50 = 1.92 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 2F2U - M77 C14 H17 N3 O2 S c1cc2cnccc....
2 3V8S ic50 = 0.65 uM 0HD C16 H16 N4 O c1ccc(cc1)....
3 4UAK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 4UAL Ki = 4 nM 3FV C17 H18 Cl N7 O c1ccnc(c1)....
5 3TKU ic50 = 1.92 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3FV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3FV 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UAL; Ligand: 3FV; Similar sites found: 716
This union binding pocket(no: 1) in the query (biounit: 4ual.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01233 0.44118 None
2 2BNF UTP 0.0009601 0.44008 None
3 1UO4 PIH 0.03104 0.41137 None
4 2GSD NAD 0.001961 0.42482 0.995025
5 3ZRR PXG 0.001933 0.40372 1.04167
6 2YW2 ATP 0.0001587 0.45814 1.19332
7 2YRX AMP 0.002527 0.44995 1.19332
8 3WO0 ADP 0.004018 0.41424 1.19332
9 4J1Q NDP 0.01027 0.4089 1.19332
10 3FSJ D7K 0.02337 0.40671 1.19332
11 3K5I ADP 0.004885 0.4006 1.24069
12 3ZPG 5GP 0.02205 0.412 1.3089
13 3BW2 FMN 0.001099 0.42758 1.35501
14 3WVR AMP 0.00002208 0.52324 1.43198
15 4LHM AZZ 0.002113 0.43305 1.43198
16 3PLN U5P 0.005442 0.41017 1.43198
17 2C31 TZD 0.03661 0.40018 1.43198
18 2QS8 MET 0.005464 0.40066 1.43541
19 4NTD FAD 0.005613 0.4109 1.47059
20 2PUL ACP 0.000001684 0.56662 1.51134
21 1FP1 HCC 0.001468 0.40583 1.6129
22 1I7L ATP 0.0002152 0.43578 1.61812
23 2VDJ HSE 0.02863 0.40011 1.66113
24 1GJW GLC 0.0007677 0.46665 1.67064
25 4R33 SAH 0.0004559 0.44594 1.67064
26 4R33 TRP 0.0004559 0.44594 1.67064
27 4GYW UDP 0.001016 0.43164 1.67064
28 1Q3Q ANP 0.004036 0.43136 1.67064
29 2C7G ODP 0.00573 0.42377 1.67064
30 2C7G FAD 0.00598 0.42377 1.67064
31 3O2K QRP 0.001901 0.41805 1.67064
32 2ITM XUL 0.01448 0.40957 1.67064
33 3CXO 3LR 0.0007944 0.43126 1.68675
34 4LIT AKG 0.001134 0.44454 1.7199
35 1KOL NAD 0.002234 0.42387 1.75879
36 2BO4 FLC 0.0001534 0.49864 1.76322
37 4HZX G39 0.002568 0.42491 1.80412
38 4LH7 1X8 0.000864 0.47582 1.85759
39 3P7I P7I 0.001404 0.43436 1.86916
40 4EKV BTN 0.003773 0.41176 1.88679
41 3UDZ ADP 0.0000005351 0.56841 1.90931
42 1H16 PYR 0.0002205 0.50093 1.90931
43 3GTD MLI 0.001927 0.43475 1.90931
44 4AXD ANP 0.000001886 0.43214 1.90931
45 4HA6 FAD 0.01036 0.40546 1.90931
46 2CE7 ADP 0.003098 0.40075 1.90931
47 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.002513 0.43436 1.92308
48 3TY5 ATP 0.003682 0.4308 1.93705
49 3TY5 ADP 0.005354 0.41441 1.93705
50 2C5S AMP 0.004524 0.40834 1.93705
51 2YVF NAD 0.003929 0.4347 1.96078
52 2YVF FAD 0.01985 0.40544 1.96078
53 4GLW 0XT 0.007105 0.42165 1.96721
54 1KTC NGA 0.00344 0.41836 1.97531
55 4B9E FAH 0.00102 0.46101 1.99336
56 3CEV ARG 0.002313 0.41993 2.00669
57 2OI2 DP6 0.0004245 0.40782 2.05479
58 3TTN SPD 0.02219 0.40307 2.05882
59 1VDC FAD 0.001002 0.44872 2.1021
60 2WKQ FMN 0.002083 0.41878 2.10843
61 1CKM GTP 0.0134 0.40804 2.12121
62 1CKN GTP 0.01364 0.40767 2.12121
63 1EHI ADP 0.00063 0.44053 2.12202
64 2WT9 NIO 0.01709 0.40817 2.12766
65 1EYE PMM 0.0003196 0.44201 2.14286
66 1M5B BN1 0.001772 0.44571 2.14797
67 4ME6 ADP 0.003951 0.44077 2.14797
68 4MZ7 DGT 0.0005689 0.43808 2.14797
69 4KCF AKM 0.000614 0.42692 2.14797
70 3QV9 QV7 0.004406 0.41947 2.14797
71 4KCF FMN 0.0004462 0.41702 2.14797
72 3QO8 SSA 0.0006787 0.4104 2.14797
73 3HQP OXL 0.0155 0.40926 2.14797
74 2J0W ADP 0.001389 0.4045 2.14797
75 2NLI LAC 0.01696 0.40759 2.17391
76 1LTH NAD 0.01074 0.41563 2.19436
77 4M5P MLA 0.00006871 0.54946 2.2113
78 4M5P 23W 0.0004538 0.48602 2.2113
79 1BGQ RDC 0.0001507 0.45418 2.22222
80 3I51 45C 0.000386 0.43895 2.22222
81 1SSQ CYS 0.01134 0.40608 2.24719
82 2GDZ NAD 0.006157 0.40009 2.24719
83 1V1A ADP 0.0002997 0.44672 2.26537
84 3MAG 3MA 0.001489 0.48014 2.28013
85 2AE2 NAP 0.0009197 0.44305 2.30769
86 2AE2 PTO 0.0009197 0.44305 2.30769
87 3V4S ATP 0.00172 0.41252 2.32558
88 1E4E ADP 0.001239 0.42841 2.33236
89 1E4E PHY 0.002054 0.40284 2.33236
90 2F01 BTQ 0.02031 0.4075 2.3622
91 2F01 BTN 0.02031 0.4075 2.3622
92 1UKW FAD 0.003742 0.41652 2.37467
93 4OCJ NDG 0.00002476 0.40641 2.37467
94 3NYQ AMP 0.0001762 0.46131 2.38663
95 3NYQ MCA 0.0001943 0.45826 2.38663
96 1PX8 XYP 0.0009402 0.448 2.38663
97 1P9B IMO 0.0004719 0.43281 2.38663
98 3OND NAD 0.003837 0.42583 2.38663
99 3OND ADN 0.003837 0.42583 2.38663
100 3BK2 U5P 0.00101 0.42336 2.38663
101 1TIW FAD 0.003793 0.41738 2.38663
102 1TIW TFB 0.003793 0.41738 2.38663
103 2IMP NAI 0.01818 0.41554 2.38663
104 4O8A FAD 0.003548 0.41022 2.38663
105 1ZFJ IMP 0.04082 0.40686 2.38663
106 2IMP LAC 0.001591 0.40666 2.38663
107 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.008291 0.40642 2.38663
108 2Q1A 2KT 0.001488 0.44623 2.38908
109 1DSS NAD 0.003189 0.40478 2.4024
110 2JFV FLC 0.002062 0.43997 2.4055
111 9LDT OXM 0.002937 0.46482 2.40964
112 9LDB NAD 0.0001363 0.46242 2.40964
113 1A27 EST 0.001555 0.40709 2.42215
114 3W54 RNB 0.0002004 0.42467 2.43161
115 1V35 NAI 0.003492 0.42185 2.43161
116 1HDR NAD 0.003426 0.42862 2.45902
117 2IF8 ADP 0.000003616 0.59283 2.47934
118 4PZ6 GMP 0.0005266 0.48249 2.48139
119 2BNE U5P 0.00549 0.40627 2.48963
120 1OTH PAO 0.0008638 0.43425 2.49221
121 3LTW HLZ 0.006098 0.4192 2.5
122 2HFK E4H 0.0003926 0.45709 2.50784
123 3K37 BCZ 0.002702 0.4502 2.51889
124 4KQI RBZ 0.001574 0.42325 2.52809
125 4KQI NIO 0.001574 0.42325 2.52809
126 1GEX PLP HSA 0.004014 0.40119 2.52809
127 2VAR KDF 0.001481 0.41715 2.55591
128 2VAR KDG 0.001618 0.41572 2.55591
129 2VAR AMP 0.00416 0.40495 2.55591
130 3TTM PUT 0.01318 0.41409 2.60116
131 3M0J OAF 0.002377 0.41664 2.60586
132 5RHN 8BR 0.0009079 0.41532 2.6087
133 1A99 PUT 0.01183 0.41835 2.61628
134 2I4O ATP 0.0003114 0.40752 2.62009
135 3E6J DR2 0.04048 0.4019 2.62009
136 2EB5 OXL 0.004267 0.42605 2.62172
137 4UWH JXM 0.0005844 0.45834 2.6253
138 3JDW ORN 0.000334 0.42137 2.6253
139 3K56 IS3 0.0009718 0.4016 2.63158
140 4OCV ANP 0.00002728 0.49827 2.63852
141 2DTX BMA 0.002302 0.42672 2.65152
142 1QZZ SAM 0.001979 0.40781 2.6738
143 1XX4 BAM 0.004938 0.44442 2.68199
144 1X1T NAD 0.02312 0.40801 2.69231
145 1OAA OAA 0.0007709 0.44921 2.7027
146 1FBL HTA 0.002203 0.41559 2.7027
147 1Q0H FOM 0.0001268 0.48178 2.70936
148 1Q0H NDP 0.001227 0.44526 2.70936
149 3PXP MYR 0.0008181 0.41236 2.73973
150 3O03 NAP 0.002769 0.40853 2.74914
151 2QLX RM4 0.003009 0.43951 2.77778
152 1ZN7 ADE 0.008735 0.41278 2.77778
153 1FW1 GSH 0.001949 0.40805 2.77778
154 4CMF PXG 0.003586 0.42869 2.79503
155 4MWV BCZ 0.00266 0.42214 2.83505
156 3K3K A8S 0.0008963 0.41532 2.8436
157 3CKZ ZMR 0.008028 0.40792 2.85714
158 4M51 BEZ 0.001484 0.46154 2.86396
159 4WBD ADP 0.001003 0.46134 2.86396
160 4WBD CIT 0.004423 0.43895 2.86396
161 1QPB PYM 0.0007129 0.42982 2.86396
162 1QPB TPP 0.0007315 0.42941 2.86396
163 1DLJ UGA 0.00346 0.4293 2.86396
164 1DLJ NAI 0.00346 0.4293 2.86396
165 1E2S CSN 0.0002579 0.41861 2.86396
166 2D0V PQQ 0.00119 0.41104 2.86396
167 3AHC TPP 0.003362 0.40975 2.86396
168 3V1V GST 0.001081 0.40822 2.86396
169 4OYA 1VE 0.04365 0.40639 2.86396
170 1RYI GOA 0.004495 0.46001 2.87958
171 1H9G COA MYR 0.0001819 0.45123 2.88066
172 1IYE PGU 0.002629 0.41502 2.91262
173 2Q1S NAI 0.001034 0.44427 2.91777
174 3ZF8 GDP 0.0001269 0.4633 2.95082
175 2FOI JPA 0.00116 0.42631 2.97398
176 4NE2 ADP 0.002639 0.41754 2.99401
177 4NE2 SH2 0.003063 0.41754 2.99401
178 2BLE 5GP 0.01179 0.41399 2.99728
179 4W97 UCA 0.002724 0.40564 3
180 2VQD AP2 0.0005106 0.43969 3.01724
181 3CBG SAH 0.001613 0.40228 3.01724
182 1YHM AHD 0.001613 0.43803 3.03867
183 1OGD RIP 0.00232 0.4254 3.05344
184 1Y42 TYR 0.0008162 0.44404 3.06122
185 1F1V DHY 0.002709 0.4172 3.09598
186 2PYW ADP 0.0000001759 0.5757 3.10263
187 4RJK PYR 0.0003381 0.49211 3.10263
188 2XCG XCG 0.00006294 0.47315 3.10263
189 2IZ1 ATR 0.002504 0.43626 3.10263
190 1QF5 GDP 0.003007 0.42999 3.10263
191 1QF5 RPL 0.003007 0.42999 3.10263
192 4C2G ALA ALA ALA ALA 0.001507 0.42733 3.10263
193 2HGS GSH 0.0002213 0.42192 3.10263
194 2XVE FAD 0.009419 0.41927 3.10263
195 1Z45 UPG 0.0006551 0.4179 3.10263
196 1Z45 NAD 0.002907 0.41207 3.10263
197 2HGS ADP 0.001215 0.41152 3.10263
198 4J7H TLO 0.0002193 0.41136 3.10263
199 4KXV TDP DX5 0.005761 0.41047 3.10263
200 1YBH FAD 0.006393 0.40976 3.10263
201 1LCP PLU 0.003289 0.4043 3.10263
202 3B1F NAD 0.0005804 0.4259 3.10345
203 1E7S NAP 0.0006816 0.43807 3.11526
204 3H86 AP5 0.01411 0.40235 3.125
205 4HZO COA 0.00005661 0.49163 3.14465
206 2YLD CMO 0.001753 0.44309 3.14961
207 1GSA ADP 0.00004992 0.46335 3.16456
208 1GSA GSH 0.009886 0.40443 3.16456
209 2EJU SAH 0.0003606 0.41789 3.1746
210 3ZLM ANP 0.0005313 0.42104 3.19149
211 4GQB 0XU 0.001968 0.44068 3.19767
212 2YGN PCF 0.0004995 0.43862 3.20513
213 3MTW M3R 0.0002543 0.43475 3.22581
214 4JGP PYR 0.009765 0.42172 3.22581
215 1LYX PGA 0.001635 0.41082 3.22581
216 2HVW DDN 0.001012 0.4011 3.26087
217 1DXY COI 0.031 0.40456 3.3033
218 1ULE GLA GAL NAG 0.0001883 0.5042 3.33333
219 3B96 MYA 0.002312 0.40102 3.34129
220 1WVG APR 0.0002293 0.44583 3.34262
221 1WVG CXY 0.0009847 0.41781 3.34262
222 1QS8 IVA VAL VAL STA ALA STA 0.001103 0.40246 3.34347
223 4DQ2 BTX 0.0002976 0.44682 3.35366
224 1GU3 BGC BGC BGC BGC BGC 0.001569 0.43237 3.3557
225 3OIG IMJ 0.003531 0.41283 3.38346
226 1Y75 NAG 0.001943 0.42295 3.38983
227 1SC3 MLI 0.007154 0.42898 3.40909
228 1R6W 164 0.0007777 0.40903 3.41615
229 2AEB ABH 0.006117 0.40452 3.41615
230 2QCX PF1 0.008929 0.40639 3.42205
231 4EXO PYR 0.005177 0.43568 3.42466
232 1P9P SAH 0.0006941 0.42316 3.44828
233 1A5Z OXM 0.02643 0.40178 3.44828
234 3PN1 IVH 0.0004749 0.48589 3.45912
235 2YC5 6BC 0.0002343 0.45948 3.50877
236 1JQ5 NAD 0.01693 0.43254 3.51351
237 2GWD GLU 0.0005209 0.44567 3.57995
238 4EPM AMP 0.0004956 0.43022 3.57995
239 4IVG ANP 0.006287 0.41905 3.57995
240 1JIL 485 0.001236 0.41047 3.57995
241 2CKM AA7 0.01245 0.40056 3.57995
242 4AVB CMP 0.01212 0.40194 3.6036
243 3LZW FAD 0.0004424 0.45288 3.61446
244 3LZW NAP 0.002964 0.43749 3.61446
245 4Q3R XA2 0.003269 0.40439 3.63636
246 2EFJ SAH 0.0001254 0.44019 3.64583
247 3DGB MUC 0.001502 0.41692 3.66492
248 1IM8 SAI 0.002034 0.40487 3.68852
249 3ORQ ADP 0.001925 0.41693 3.71353
250 1NZY BCA 0.0005509 0.43549 3.71747
251 4W6Z ETF 0.02404 0.41012 3.7464
252 3I8P 840 0.0007558 0.41812 3.74707
253 1OMZ UD2 0.005868 0.41505 3.75427
254 4G1V FAD 0.03751 0.40805 3.7594
255 3GJB AKG 0.003838 0.41118 3.76176
256 3GM5 CIT 0.0009587 0.45464 3.77358
257 2QX0 PH2 0.004597 0.44005 3.77358
258 2B82 ADN 0.002295 0.40304 3.79147
259 2AQX ATP 0.0002352 0.44317 3.80623
260 2ZWS PLM 0.001116 0.49813 3.81862
261 1ZK7 FAD 0.002105 0.43423 3.81862
262 1LVL FAD 0.003674 0.42294 3.81862
263 3L6R MLI 0.008383 0.41911 3.81862
264 2IO8 ADP 0.0006197 0.41578 3.81862
265 1M0W ANP 0.003148 0.40907 3.81862
266 1L2T ATP 0.001246 0.41603 3.82979
267 2XOC ADP 0.007028 0.43751 3.83142
268 3CH5 GDP 0.004038 0.40088 3.84615
269 1R6D NAD 0.001112 0.45137 3.85757
270 1R6D DAU 0.001605 0.44419 3.85757
271 2QV7 ADP 0.0003261 0.43095 3.85757
272 1T57 FMN 0.002058 0.40653 3.8835
273 1IUP ALQ 0.001761 0.42007 3.90071
274 3VPD ANP 0.00009759 0.45889 3.91459
275 3PMD 11A 0.002767 0.41177 3.92157
276 4C0X AQN 0.003062 0.41258 3.94089
277 2B4Q NAP 0.0007729 0.43319 3.98551
278 4NAO AKG 0.00695 0.42284 3.98773
279 3SHR CMP 0.00001599 0.49792 4.01338
280 2V7T SAH 0.0274 0.41179 4.01338
281 3TKA CTN 0.001868 0.47504 4.03458
282 1F8F NAD 0.01892 0.40297 4.04313
283 3L24 GOA 0.00269 0.45753 4.05728
284 1VJT NAD 0.0008092 0.41686 4.05728
285 4INB 1F6 0.00001742 0.47473 4.10959
286 2NX1 RP5 0.0002297 0.44928 4.11985
287 2NX1 PEP 0.0005867 0.4345 4.11985
288 1KBJ FMN 0.001341 0.4183 4.12621
289 2A0W DIH 0.0009988 0.43392 4.15225
290 2HMT NAI 0.001718 0.43952 4.16667
291 4I9A NCN 0.004687 0.4031 4.16667
292 3CQD ATP 0.003212 0.41904 4.20712
293 2J8Z NAP 0.002928 0.41057 4.23729
294 2PP3 LGT 0.003115 0.40067 4.27136
295 2Y6P CTP 0.002656 0.41246 4.2735
296 1Q11 TYE 0.0002308 0.46656 4.30108
297 3RF4 FUN 0.001006 0.4403 4.31034
298 2ALG DAO 0.00001675 0.47777 4.34783
299 2ALG HP6 0.00001675 0.47777 4.34783
300 1NF8 ISC 0.0002994 0.41376 4.34783
301 3PDT ADP 0.00006811 0.50093 4.36364
302 3F81 STT 0.003935 0.44932 4.37158
303 4K30 NLG 0.002753 0.42234 4.375
304 1XHL NDP 0.0001829 0.45923 4.3771
305 1LC8 33P 0.002165 0.41239 4.3956
306 3FS8 ACO 0.04115 0.40241 4.3956
307 1C0I FAD 0.002187 0.43359 4.40771
308 1C0I BE2 0.002187 0.43359 4.40771
309 2EWM NAD 0.001264 0.42676 4.41767
310 4USQ FAD 0.002057 0.42283 4.43213
311 1RZM E4P 0.00174 0.4504 4.43787
312 1RZM PEP 0.0007351 0.44591 4.43787
313 1C3V NDP 0.001973 0.41963 4.4898
314 3O7B SAH 0.001288 0.40779 4.5082
315 2VPQ ANP 0.0002529 0.43734 4.53461
316 3DNT ATP 0.001137 0.41214 4.53461
317 3SCH TB6 0.0004605 0.46867 4.54545
318 1ZZ7 S0H 0.0002529 0.46494 4.54545
319 4B4D FAD 0.00002772 0.47012 4.58015
320 1MDZ DCS 0.0058 0.40479 4.58015
321 1MDZ PLP 0.006444 0.40188 4.58015
322 3W0O ADP 0.0001077 0.41732 4.58453
323 3U4C NDP 0.002611 0.41238 4.62633
324 4L7I SAM 0.001208 0.40657 4.6683
325 3TFC PEP 0.0007073 0.44659 4.67532
326 1PEA ACM 0.003931 0.44139 4.67532
327 4IAE 1DX 0.01556 0.40307 4.7619
328 3VOT ADP 0.0000196 0.53975 4.77327
329 2QK4 ATP 0.0002596 0.49235 4.77327
330 4CCO OGA 0.0004995 0.4528 4.77327
331 3BL6 FMC 0.001325 0.40735 4.78261
332 4JCA CIT 0.007636 0.44323 4.79042
333 2V0U FMN 0.003114 0.4118 4.79452
334 2Q8M AMP 0.001125 0.42162 4.81928
335 2OWZ CIT 0.009132 0.41145 4.81928
336 4F8L GAL 0.009485 0.44742 4.82759
337 2VBQ BSJ 0.003512 0.41413 4.84848
338 1SQ5 ADP 0.00005527 0.47044 4.87013
339 1R37 NAD 0.000679 0.44083 4.89914
340 4G28 0W8 0.00007882 0.47825 4.90196
341 2HGZ PBF 0.00181 0.41198 4.90196
342 1S9D AFB 0.002933 0.43554 4.92611
343 1Y7P RIP 0.009614 0.42285 4.93274
344 1G0N PHH 0.0001069 0.48007 4.947
345 1G0N NDP 0.001659 0.43105 4.947
346 2Q37 3AL 0.0008117 0.45072 4.97238
347 2PT9 2MH 0.000972 0.435 4.98442
348 2PT9 S4M 0.003222 0.40462 4.98442
349 2GJ3 FAD 0.00083 0.43278 5
350 1GPJ CIT 0.002945 0.43315 5.01193
351 1QW9 KHP 0.00368 0.40254 5.01193
352 4N02 FNR 0.001698 0.44322 5.04202
353 1PL6 572 0.002097 0.42126 5.05618
354 2DTJ THR 0.01325 0.40408 5.05618
355 3AB4 THR 0.01463 0.402 5.05618
356 4BT5 23B 0.0003067 0.40101 5.05837
357 1JA9 NDP 0.01058 0.42094 5.10949
358 1JA9 PYQ 0.005151 0.4016 5.10949
359 1V6A TRE 0.0004791 0.46045 5.12048
360 5FRE SIA GAL 0.0247 0.42713 5.15464
361 2C4I BTN 0.001173 0.40326 5.16605
362 1QY1 PRZ 0.001271 0.41202 5.17241
363 2PNZ 5GP 0.02733 0.40097 5.22088
364 4OB6 S2T 0.0001269 0.44537 5.2506
365 2PTZ PAH 0.0001422 0.43379 5.2506
366 2TPL HPP 0.0006254 0.43019 5.2506
367 1UOU CMU 0.0007327 0.42344 5.2506
368 2RHQ GAX 0.0002097 0.40683 5.2506
369 2NCD ADP 0.009515 0.40521 5.2506
370 1B5E DCM 0.000414 0.44963 5.28455
371 1JH7 UVC 0.007817 0.40885 5.29101
372 1H2B NAJ 0.003708 0.41204 5.29248
373 2BOI MFU 0.001654 0.43144 5.30973
374 2E1A MSE 0.001261 0.43041 5.33333
375 3W8S GSH 0.01069 0.40305 5.33981
376 3D2Y AH0 ALA FGA LYS 0.001252 0.40039 5.36398
377 1V7R CIT 0.0439 0.40341 5.37634
378 4QN7 G39 0.008927 0.40005 5.38462
379 3PVT 3HC 0.003373 0.41823 5.40541
380 3BAZ NAP 0.002883 0.40636 5.40541
381 3GLC R5P 0.01096 0.40399 5.42373
382 1RYD NDP 0.002501 0.42316 5.42636
383 1G6O ADP 0.002746 0.40711 5.45455
384 2B7N NTM 0.001655 0.43756 5.49451
385 3TII ANP 0.0002176 0.48968 5.52632
386 3WBF API 0.0004274 0.44698 5.57377
387 3WBF NAP 0.0008531 0.43013 5.57377
388 1YAG ATP 0.0008353 0.42218 5.6
389 3IL6 B83 0.001752 0.40521 5.60748
390 1PFK ADP 0.001091 0.40374 5.625
391 1BTN I3P 0.00007767 0.56774 5.66038
392 4PLG NAI 0.0006193 0.44612 5.68862
393 4PLG OXM 0.0006193 0.44612 5.68862
394 4B8V NDG NAG NAG NAG 0.003599 0.40441 5.70175
395 4CYI ATP 0.00002145 0.50063 5.72792
396 3D3W NAP 0.005242 0.40395 5.7377
397 1PR9 NAP 0.006974 0.4018 5.7377
398 3BHO B4P 0.01195 0.4331 5.76923
399 1FDJ 2FP 0.0004322 0.40574 5.78512
400 1V2G OCA 0.0001759 0.42136 5.78947
401 1RE0 AFB 0.007797 0.41093 5.88235
402 3IU9 T07 0.02479 0.40023 5.90278
403 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0005357 0.42712 5.95745
404 1WDA BAG 0.0006328 0.44231 5.96659
405 1S68 AMP 0.002232 0.45195 6.0241
406 3QP4 HL0 0.0008685 0.41599 6.04396
407 3GEG NAD 0.003328 0.40711 6.07287
408 4TMK T5A 0.04994 0.40717 6.10329
409 2BZ1 TAU 0.002601 0.47811 6.12245
410 1ZTH ADP 0.0000003941 0.621 6.20155
411 1ZP9 ATP 0.0000009183 0.58624 6.20155
412 4LSJ LSJ 0.00229 0.40307 6.20155
413 2VJJ RAM GLC GAL NAG NAG GLC 0.006465 0.41817 6.20525
414 2Q09 DI6 0.006713 0.40151 6.25
415 3DG6 MUC 0.00002217 0.47843 6.26703
416 3MB5 SAM 0.004566 0.42454 6.27451
417 1F5F DHT 0.0001287 0.4398 6.34146
418 1SOW NAD 0.0009042 0.43352 6.40244
419 1XE7 GUN 0.002959 0.45547 6.40394
420 3DAG FEG 0.002055 0.41164 6.42458
421 4PU5 ANP 0.001164 0.41648 6.44391
422 1UXG FUM 0.0007271 0.44467 6.47249
423 1UXG NAD 0.0007271 0.44467 6.47249
424 4GCZ FMN 0.003009 0.41197 6.49351
425 1BDB NAD 0.0348 0.40058 6.4982
426 3TDV GDP 0.000002768 0.55 6.53595
427 3R35 4CO 0.001135 0.42848 6.62252
428 3KMT SAH 0.0008136 0.42179 6.72269
429 1OLS TDP 0.007713 0.41134 6.72515
430 3H22 B53 0.0001316 0.41856 6.73401
431 1VQ2 DDN 0.0002902 0.42774 6.73575
432 2GQS ADP 0.003007 0.42166 6.75105
433 3TA2 AKG 0.0002433 0.45002 6.77966
434 3TA2 ATP 0.004675 0.40888 6.77966
435 2J5S KTA 0.0007362 0.40787 6.84411
436 2FR6 CTN 0.0001234 0.43312 6.84932
437 2FR6 URI 0.0007427 0.40732 6.84932
438 4C1K PEP 0.0001795 0.40658 6.87023
439 4NAT ADP 0.003203 0.44824 6.875
440 2R14 TXD 0.004723 0.40563 6.89655
441 3SQG COM 0.001101 0.48695 6.92124
442 3Q9T FAY 0.0003271 0.45786 6.92124
443 3SQG TP7 0.001164 0.41152 6.92124
444 3KYF 5GP 5GP 0.0001122 0.42102 6.92641
445 4R3L COA 0.0002056 0.43035 6.93642
446 3DER ALA LYS 0.0002367 0.41077 6.95652
447 3HAV ATP 0.00008493 0.52672 7.02341
448 2OFE NAG 0.003286 0.43106 7.04225
449 3CQ5 PMP 0.000866 0.4369 7.04607
450 1R18 SAH 0.0005058 0.428 7.04846
451 3VPC ADP 0.00003315 0.47658 7.0922
452 4B16 NAG 0.003021 0.46418 7.14286
453 1QO0 BMD 0.002771 0.43432 7.14286
454 2ZJ5 ADP 0.002946 0.42691 7.1599
455 3HP9 CF1 0.02412 0.40083 7.1599
456 1NU4 MLA 0.00548 0.40502 7.2165
457 1TZD ADP 0.000006712 0.59042 7.27273
458 1C1L GAL BGC 0.0002509 0.48887 7.29927
459 1RBO CAP 0.02368 0.42504 7.31707
460 2ZI8 SDT 0.004635 0.40328 7.33333
461 1KDK DHT 0.0003115 0.43542 7.34463
462 2C2A ADP 0.001491 0.40345 7.36434
463 4LO6 SIA GAL 0.006715 0.42683 7.36842
464 1EDO NAP 0.006628 0.42931 7.37705
465 4O1P ANP 0.000001209 0.56567 7.39857
466 5FIT AP2 0.0001327 0.4221 7.48299
467 3RFV NAI 0.002285 0.41305 7.49064
468 3RFV 15L 0.003713 0.40392 7.49064
469 1UW1 ADP 0.00795 0.40854 7.5
470 1LL2 UPG 0.001662 0.40795 7.50751
471 4QM9 CYS 0.01584 0.40988 7.51445
472 1NW5 SAM 0.0005503 0.42267 7.52351
473 2HV8 GTP 0.001469 0.41521 7.55814
474 2PR5 FMN 0.003227 0.41091 7.57576
475 4DVE BTN 0.0004154 0.40615 7.57576
476 1TDF FAD 0.0008246 0.45107 7.59494
477 1TDF NAP 0.01023 0.42271 7.59494
478 2DWU DGL 0.001013 0.43419 7.6087
479 2XDQ MGX 0.001684 0.46763 7.63723
480 2W3L DRO 0.01412 0.42168 7.63889
481 1I2B USQ 0.00143 0.44784 7.67327
482 1I2B NAD 0.00143 0.44784 7.67327
483 1I2B UPG 0.00143 0.44784 7.67327
484 3WE0 FAD 0.002834 0.42731 7.8759
485 4ANW O92 0.0001342 0.40749 7.8759
486 1LDM NAD 0.007456 0.42471 7.90274
487 1W2D ADP 0.0000396 0.52512 7.92453
488 1W2D 4IP 0.0004453 0.41001 7.92453
489 4LBP 1WG 0.004822 0.40265 8
490 1EB9 HBA 0.0007012 0.42927 8.01527
491 4COQ SAN 0.0003551 0.47364 8.09717
492 2Q8H TF4 0.002433 0.4597 8.10811
493 2IXB A2G 0.0009245 0.44071 8.11456
494 2IXB NAD 0.0005292 0.44071 8.11456
495 1CBK ROI 0.01168 0.41712 8.125
496 1T0S BML 0.002019 0.45517 8.13953
497 3ETH ATP 0.0007101 0.42722 8.16901
498 2YBQ UP2 0.002844 0.41991 8.21918
499 1FIQ SAL 0.002273 0.41867 8.21918
500 2YBQ SAH 0.0008618 0.41591 8.21918
501 1FIQ MTE 0.002964 0.41176 8.21918
502 1FIQ FAD 0.004204 0.4112 8.21918
503 4FE2 ADP 0.002095 0.43765 8.23529
504 1N9L FMN 0.0002996 0.42047 8.25688
505 1J5P NAD 0.001289 0.42209 8.3004
506 1R27 MGD 0.004289 0.41317 8.35322
507 1T26 GBD 0.003101 0.45403 8.38509
508 1T26 NAI 0.003101 0.45403 8.38509
509 4AF5 CIT 0.001563 0.44529 8.42105
510 1XVV CCQ 0.003743 0.41866 8.57843
511 4KCT PYR 0.0008859 0.4365 8.59189
512 2YFT DQR 0.0004679 0.42544 8.59189
513 4KCT FDP 0.003738 0.40214 8.59189
514 2OYS FMN 0.00124 0.4124 8.67769
515 2C1Q BTN 0.002076 0.42844 8.73016
516 3TM0 ANP 0.00001265 0.43043 8.74525
517 3TM0 B31 0.00001377 0.42416 8.74525
518 2HJ3 FAD 0.001965 0.4054 8.8
519 4GYI ADP 0.00001603 0.53654 8.81612
520 3DCM SAM 0.002409 0.4004 8.85417
521 3UEC ALA ARG TPO LYS 0.003855 0.43458 8.90411
522 2F59 INI 0.0002818 0.42125 8.9172
523 4CO3 ATP 0.003896 0.42148 8.92857
524 1POC GEL 0.0009727 0.40979 8.95522
525 1SS4 CIT 0.000314 0.57064 9.15033
526 1SS4 GSH 0.00172 0.49031 9.15033
527 1D09 PAL 0.007164 0.44292 9.15033
528 1Y2W NAG 0.003413 0.43033 9.15493
529 3P3N AKG 0.0001591 0.48899 9.16905
530 2WA4 069 0.004131 0.40051 9.16905
531 2Y7P SAL 0.001005 0.44032 9.17431
532 3NGU ADP 0.002405 0.40474 9.27152
533 1U7Z PMT 0.001463 0.42708 9.29204
534 3OCP CMP 0.002289 0.44071 9.35252
535 1TU3 GNP 0.0004081 0.43685 9.35672
536 3SIX GDP 0.001368 0.41844 9.39394
537 3TO7 COA 0.000749 0.44418 9.42029
538 3I0O ADP 0.00001442 0.54613 9.43953
539 3I0O SMI 0.005636 0.41491 9.43953
540 3KJQ B94 0.002905 0.40623 9.47368
541 1G8S MET 0.006717 0.41735 9.56522
542 3ZUY TCH 0.004502 0.40362 9.59752
543 4JP3 CIT 0.001276 0.41957 9.62343
544 3QDY A2G GAL 0.0126 0.41723 9.79021
545 3QDT A2G GAL 0.01731 0.41062 9.79021
546 3QDY CBS 0.01333 0.40984 9.79021
547 4KU7 PCG 0.004693 0.42126 9.80392
548 3BY8 MLT 0.0019 0.44865 9.85915
549 3SJ0 DXC 0.007264 0.42196 9.85915
550 1TQP ATP 0.00003208 0.46367 9.92908
551 3C1O NAP 0.002684 0.40587 9.96885
552 3ZJX BOG 0.002164 0.45643 10.0346
553 2BGM NAJ 0.003642 0.43315 10.0719
554 1Q3P GLU ALA GLN THR ARG LEU 0.005197 0.40594 10.0917
555 1Q6O LG6 0.001332 0.40946 10.1852
556 4AZW ATP 0.0001738 0.45657 10.2625
557 4AZT LY2 0.001969 0.44384 10.2625
558 2DKH FAD 0.003014 0.41539 10.2625
559 2DKH 3HB 0.006102 0.41054 10.2625
560 3OZG SSI 0.0004438 0.41759 10.4
561 2Z9V PXM 0.0008792 0.44271 10.4592
562 1ZJ6 G3D 0.00196 0.41261 10.6952
563 3VPB ADP 0.000007884 0.47556 10.7143
564 1PK8 ATP 0.00007228 0.44436 10.7399
565 2Q97 ATP 0.001473 0.41165 10.8527
566 3PNL ADP 0.0002417 0.4393 10.9005
567 1ECM TSA 0.0003045 0.45493 11.0092
568 2HW1 ANP 0.001549 0.40901 11.0738
569 4O1M NAD 0.0008795 0.43113 11.1111
570 2YIV NBN 0.00152 0.45308 11.2172
571 2YIV YIV 0.01074 0.42056 11.2172
572 3P0K FAD 0.001855 0.40812 11.2782
573 1XIU REA 0.0002424 0.43041 11.7391
574 2BKK ADP 0.000003344 0.56834 11.8343
575 4F4S EFO 0.001352 0.43504 11.8421
576 1Y1A GSH 0.00007872 0.56655 12.0219
577 4DFU QUE 0.003193 0.44409 12.1118
578 2YPO PHE 0.005871 0.40085 12.1718
579 1WRA PC 0.01591 0.40631 12.3377
580 1V2X SAM 0.001751 0.40521 12.3711
581 1Y8O ADP 0.0003179 0.40764 12.5
582 2CFM AMP 0.001145 0.45512 12.6492
583 3H9R TAK 0.000002424 0.5921 12.7273
584 1DZK PRZ 0.002327 0.42663 12.7389
585 3N5O GSH 0.0008219 0.41451 13.1915
586 1I0Z OXM 0.01307 0.42336 13.2132
587 4M7F BM3 0.003388 0.41863 13.2743
588 1A8R GTP 0.001488 0.40767 13.5747
589 1LNX URI 0.008633 0.40191 13.5802
590 2V6O FAD 0.004779 0.43757 13.8425
591 3RO7 TDR 0.002546 0.41134 13.9623
592 4IX4 ADP 0.0000003006 0.56707 14
593 4G4S LDZ 0.0006766 0.41518 14.1631
594 3U1T MLI 0.000327 0.48361 14.2395
595 1AUX AGS 0.0001019 0.48175 14.4695
596 4FL3 ANP 0.0000001277 0.56802 14.4882
597 1IA9 ANP 0.000171 0.46462 15
598 1MQ0 BRD 0.0002493 0.42082 15
599 3KMW ATP 0.0002795 0.46767 15.1292
600 3AXM 6PG 0.01183 0.41563 15.5039
601 4WX0 HXD 0.0009029 0.40603 15.5894
602 2IYG FMN 0.0001888 0.45053 16.129
603 3NFZ 3NF 0.003946 0.40126 16.208
604 1NVU GTP 0.01303 0.40948 16.2651
605 1YRX FMN 0.002424 0.40462 16.5289
606 4Q5H ANP 0.00001294 0.52081 16.6667
607 1EZV SMA 0.002946 0.40755 16.8224
608 3DDC GNP 0.0003338 0.43998 16.8675
609 3NKS FAD 0.002474 0.42334 16.9451
610 3NKS ACJ 0.001334 0.40093 16.9451
611 1EP2 ORO 0.001994 0.42333 17.0418
612 3LQV ADE 0.008172 0.4181 17.9487
613 3T50 FMN 0.001846 0.421 17.9688
614 3VHE 42Q 0.000000394 0.48484 18.3844
615 1H8G CHT 0.004822 0.46348 18.9474
616 1TUV VK3 0.03193 0.40391 19.2982
617 1EXB NDP 0.0009392 0.46553 19.4175
618 4F2Q QUS 0.0009401 0.40208 19.7674
619 4OAV ACP 0.0000004163 0.59367 21.0024
620 2R40 20E 0.0002727 0.44131 22.1805
621 2R40 EPH 0.0008736 0.43196 22.1805
622 3VRY B43 0.000004878 0.48025 22.4344
623 1WUR 8DG 0.001159 0.41532 22.7273
624 2XBP ATP 0.01619 0.4 23.8938
625 2JLD AG1 0.000000007695 0.51731 24.821
626 2WU6 DKI 0.00000006078 0.57564 24.9344
627 4N7C AEF 0.009701 0.41619 25
628 1VKF CIT 0.01778 0.4 25
629 2CSN CKI 0.0000001517 0.52975 25.2525
630 2H8H H8H 0.0000004304 0.58522 25.537
631 1Y57 MPZ 0.000002331 0.51093 25.537
632 3GNI ATP 0.0000002785 0.56944 25.7069
633 4E93 GUI 0.00000004041 0.50819 26.5252
634 3C1X CKK 0.00005105 0.47076 26.5416
635 4IDT T28 0.00000005297 0.63357 26.9663
636 4IZY 1J2 0.0000001718 0.57536 27.1003
637 3S9K CIT 0.002846 0.48598 27.1186
638 3GC0 AMP 0.000001574 0.58363 27.3556
639 4H3P ANP 0.00000008336 0.61629 27.6243
640 4H3Q ANP 0.0000001619 0.55725 27.6243
641 3PTG 932 0.0000001617 0.64988 27.8237
642 3LXK MI1 0.00000004631 0.53845 27.8287
643 3ZRM ZRM 0.0000002002 0.59971 28.0323
644 5X8I SQZ 0.01192 0.41839 28.0347
645 3E7O 35F 0.000002758 0.45357 28.0556
646 4QTB 38Z 0.00000002054 0.5409 28.1579
647 1CM8 ANP 0.0000001464 0.6139 28.6104
648 3GC8 B45 0.0000004301 0.54816 28.9189
649 4LOO SB4 0.000004362 0.54139 29.0859
650 3PP0 03Q 0.0000002551 0.52297 29.2899
651 1O9U ADZ 0.000000109 0.70375 29.7143
652 1BHX ASP PHE GLU GLU ILE 0.01443 0.40228 29.932
653 3UIM ANP 0.0000001646 0.60341 30.0613
654 1JPA ANP 0.0000002743 0.6581 30.1282
655 3KRL KRL 0.000001507 0.52753 30.1493
656 3LXN MI1 0.0000000007489 0.67074 30.1887
657 2QLU ADE 0.000004484 0.59459 30.2548
658 4NST ADP 0.00000001337 0.65092 30.4843
659 2B9I ADP 0.000000003454 0.67654 30.5949
660 2B9J ADP 0.000000008461 0.66908 30.5949
661 2B9H ADP 0.000000004007 0.65754 30.5949
662 4AU8 Z3R 0.0000003122 0.62584 30.7432
663 2B9F ADP 0.00000001616 0.64734 30.8782
664 4ASE AV9 0.0000007115 0.49054 30.8782
665 3O0G 3O0 0.000000007625 0.65077 31.1644
666 1UNH IXM 0.00000008534 0.64278 31.1644
667 3HZT J60 0.0000002425 0.6311 31.2649
668 1U5R ATP 0.00000001223 0.66195 31.3218
669 4U0I 0LI 0.000004992 0.442 31.4286
670 4BTK DTQ 0.000000001851 0.68834 31.7507
671 4GJ3 0XP 0.000000001997 0.54779 31.7881
672 3SXF BK5 0.0000003703 0.46538 31.9809
673 2X2M X2M 0.00000003313 0.59381 32.1656
674 4CFU 2WC 0.000000004001 0.69393 32.3432
675 3PLS ANP 0.0000001629 0.61183 32.5503
676 4BCQ TJF 0.00000007344 0.65595 32.5581
677 4BCM T7Z 0.000001393 0.50911 32.5581
678 4BCN T9N 0.00000001793 0.67444 32.6667
679 1V0O INR 0.00000001503 0.63395 32.9861
680 3ALN ANP 0.0000003534 0.56464 33.0275
681 2PVF ACP 0.0000001211 0.61757 33.8323
682 3SRV S19 0.000000001745 0.69964 33.935
683 1K3A ACP 0.00000043 0.60996 34.1137
684 4K33 ACP 0.0000004739 0.57165 34.1538
685 2Y6O 1N1 0.000001861 0.52247 34.3643
686 2XVD AS6 0.000001826 0.48096 34.4371
687 3GQI ACP 0.0000001455 0.60575 34.6626
688 2HK5 1BM 0.0000006557 0.55416 34.8148
689 2A19 ANP 0.00000004434 0.66644 34.8592
690 1BYG STU 0.0000000002319 0.75034 34.8921
691 2OO8 RAJ 0.0004088 0.43481 35.0158
692 2FYU FDN 0.000769 0.40718 35.7143
693 2OFV 242 0.00000005888 0.47966 35.7401
694 1ZY5 ANP 0.000002999 0.55545 35.9736
695 3IGO ANP 0.00000001691 0.60261 36.0382
696 3RI1 3RH 0.0000003462 0.52153 36.1022
697 3BU5 ATP 0.00000003047 0.63534 36.6013
698 1U59 STU 0.000000006991 0.66319 36.9338
699 3FC2 IBI 0.002206 0.41647 37.0149
700 2F57 23D 0.0000002769 0.60999 37.224
701 3SXS PP2 0.000001055 0.54396 37.3134
702 2WEL K88 0.000008355 0.58018 38.5321
703 4PNI KQQ 0.00000000002965 0.58597 38.9021
704 3PVW QRX 0.000000111 0.53567 38.9021
705 2V7O DRN 0.0000000005351 0.77176 39.2857
706 2VZ6 FEF 0.0000003156 0.61624 39.9361
707 3HMO STU 0.0000005442 0.58848 40.3509
708 2VN9 GVD 0.00000002298 0.69152 41.8605
709 4FG8 ATP 0.000001355 0.54337 43.8095
710 4WB7 ATP 0.0001723 0.44907 44.9383
711 3SLS ANP 0.000000773 0.53878 45.0658
712 2ZV2 609 0.00000001793 0.68528 45.302
713 4I6H 1C8 0.000005349 0.53753 45.7792
714 4DC2 ADE 0.000000008337 0.74117 46.9697
715 2WEI VGG 0.0000002768 0.60999 48.4321
716 1PHK ATP 0.00000002822 0.6226 49.3289
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