Receptor
PDB id Resolution Class Description Source Keywords
3SRV 1.95 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF SPLEEN TYROSINE KINASE (SYK) IN COMPLEX DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITOR HOMO SAPIENS SK363 SYK NON-RECEPTOR TYROSINE KINASE SPLEEN TYROSINE KITRANSFERASE PHOSPHORYLATION TRANSFERASE-TRANSFERASE INHIBCOMPLEX
Ref.: DISCOVERY OF GSK143, A HIGHLY POTENT, SELECTIVE AND EFFICACIOUS SPLEEN TYROSINE KINASE INHIBITOR. BIOORG.MED.CHEM.LETT. V. 21 6188 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:2;
A:3;
A:636;
B:4;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
S19 A:1;
B:2;
Valid;
Valid;
none;
none;
ic50 = 32 nM
342.396 C17 H22 N6 O2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SRV 1.95 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF SPLEEN TYROSINE KINASE (SYK) IN COMPLEX DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITOR HOMO SAPIENS SK363 SYK NON-RECEPTOR TYROSINE KINASE SPLEEN TYROSINE KITRANSFERASE PHOSPHORYLATION TRANSFERASE-TRANSFERASE INHIBCOMPLEX
Ref.: DISCOVERY OF GSK143, A HIGHLY POTENT, SELECTIVE AND EFFICACIOUS SPLEEN TYROSINE KINASE INHIBITOR. BIOORG.MED.CHEM.LETT. V. 21 6188 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 3SRV ic50 = 32 nM S19 C17 H22 N6 O2 Cc1ccc(cc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3SRV ic50 = 32 nM S19 C17 H22 N6 O2 Cc1ccc(cc1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1K3A - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 3SRV ic50 = 32 nM S19 C17 H22 N6 O2 Cc1ccc(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: S19; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 S19 1 1
2 P5C 0.505495 0.842105
3 3YT 0.44 0.691176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SRV; Ligand: S19; Similar sites found: 318
This union binding pocket(no: 1) in the query (biounit: 3srv.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IRX INS 0.009558 0.40889 1.08303
2 4AVB CMP 0.005439 0.41617 1.44404
3 2YRX AMP 0.01196 0.41484 1.44404
4 5AMH EF2 0.02123 0.40045 1.6
5 1I06 TZL 0.01574 0.40703 1.66667
6 3WVR AMP 0.0002294 0.47437 1.80505
7 3VPD ANP 0.000963 0.45002 1.80505
8 5W2I ADP 0.0001359 0.43128 1.94553
9 5W2I I3P 0.0001359 0.43128 1.94553
10 3UDZ ADP 0.000002016 0.56609 2.16606
11 3X01 AMP 0.0001384 0.51389 2.16606
12 3BP1 GUN 0.008103 0.42289 2.16606
13 3TII ANP 0.002469 0.40875 2.16606
14 3TTM PUT 0.01619 0.4028 2.16606
15 4AXD ANP 0.00001744 0.40095 2.16606
16 3W9F I3P 0.03315 0.40442 2.30769
17 1GSA ADP 0.00001447 0.48045 2.52708
18 3VOT ADP 0.0006105 0.43412 2.52708
19 1U6R IOM 0.01695 0.40484 2.52708
20 1M2W MTL 0.02213 0.40117 2.52708
21 5C1P ADP 0.003033 0.42797 2.61438
22 5I35 ANP 0.0000001209 0.61414 2.88809
23 4R78 AMP 0.000005435 0.57189 2.88809
24 4U98 ACP 0.000615 0.45004 2.88809
25 4CC6 L5Y 0.002722 0.43999 2.88809
26 2VQD AP2 0.0006287 0.43004 2.88809
27 4RDL FUC GAL NDG FUC 0.008326 0.4232 2.88809
28 4ZGP ADP 0.002737 0.42131 2.88809
29 5U98 1KX 0.03756 0.40937 2.88809
30 4A4Z ANP 0.009974 0.408 2.88809
31 3S43 478 0.007002 0.42152 3.0303
32 5IQD RIO 0.0000115 0.56396 3.2491
33 5IQD GNP 0.00001068 0.56396 3.2491
34 4GYI ADP 0.000005603 0.5549 3.2491
35 3Q60 ATP 0.00001143 0.52667 3.2491
36 3AKK ADP 0.00006273 0.49913 3.2491
37 3VPB ADP 0.00007908 0.43938 3.2491
38 3VSV XYS 0.004892 0.43737 3.2491
39 3VPC ADP 0.0002673 0.43637 3.2491
40 4GLW 0XT 0.006284 0.42221 3.2491
41 2AQX ATP 0.001074 0.41245 3.2491
42 2ED4 NAD 0.01192 0.41362 3.3557
43 2GQS ADP 0.007708 0.40135 3.37553
44 3N9P OGA 0.01679 0.40916 3.40909
45 1IA9 ANP 0.00002013 0.4971 3.61011
46 4OCV ANP 0.00004016 0.48462 3.61011
47 1IOW PHY 0.003388 0.44159 3.61011
48 5TDF ADP 0.000887 0.42278 3.61011
49 2ZL7 FUC GAL NGA 0.01009 0.42089 3.61011
50 4WW7 AMP 0.0000006403 0.53497 3.74332
51 3AB4 THR 0.01588 0.40244 3.93258
52 5DMZ ADP 0.00000005352 0.61514 3.97112
53 4PU5 ANP 0.0003146 0.43024 3.97112
54 2QK4 ATP 0.001569 0.41061 3.97112
55 4UWH JXM 0.0006981 0.45246 4.33213
56 1M0W ANP 0.0007395 0.44144 4.33213
57 3HAV ATP 0.0001199 0.43596 4.33213
58 3ZJX BOG 0.005249 0.4335 4.33213
59 3BF1 PAU 0.009031 0.40591 4.41767
60 3I0O ADP 0.00008791 0.50591 4.69314
61 4CNG SAH 0.009717 0.41211 4.70588
62 4MYD 164 0.007371 0.40221 4.7619
63 3OCP CMP 0.01258 0.40317 5.03597
64 2IF8 ADP 0.00003958 0.53765 5.05415
65 4ZS4 ATP 0.000008754 0.51306 5.05415
66 1TQP ATP 0.000005222 0.48224 5.05415
67 2IO8 ADP 0.00004208 0.45113 5.05415
68 4ME6 ADP 0.005528 0.43152 5.05415
69 1EHI ADP 0.001725 0.41819 5.05415
70 1CKN GTP 0.008761 0.41513 5.05415
71 3ETH ATP 0.0009622 0.41445 5.05415
72 1CKM GTP 0.009405 0.41362 5.05415
73 1E4E ADP 0.003101 0.40687 5.05415
74 3PDT ADP 0.00002176 0.52074 5.09091
75 2VPQ ANP 0.0003522 0.42676 5.41516
76 5K2M ADP 0.0002417 0.48131 5.66038
77 4OUC 5ID 0.000000003448 0.66988 5.77617
78 3TDV GDP 0.0000102 0.51876 5.77617
79 2CFM AMP 0.001394 0.44876 5.77617
80 3LXI CAM 0.01933 0.40422 5.77617
81 5HCF BGC 0.01525 0.40698 5.90406
82 4LH7 1X8 0.0003333 0.4947 6.13718
83 4OAV ACP 0.000000007591 0.66736 6.4982
84 3W0O ADP 0.00002431 0.4294 6.4982
85 3W0O HY0 0.00002431 0.4294 6.4982
86 1FMB HYB 0.007264 0.41032 6.73077
87 3TM0 ANP 0.00009707 0.4021 6.84411
88 1AUX AGS 0.0002422 0.46011 6.85921
89 5VZ0 ADP 0.000958 0.44151 6.85921
90 1PK8 ATP 0.0004295 0.41486 6.85921
91 2R85 AMP 0.01672 0.40493 6.85921
92 2Z49 AMG 0.008588 0.42179 7.22022
93 4L2I FAD 0.02608 0.40124 7.22433
94 4Q5H ANP 0.000001869 0.54949 7.69231
95 5MY8 RXZ 0.0000000597 0.54126 7.94224
96 5TT6 ATP 0.001067 0.41177 7.94224
97 3DNT ATP 0.0002997 0.47703 8.30325
98 3TPV ADE 0.001448 0.42176 8.30325
99 4LRJ ANP 0.00001941 0.51648 8.87574
100 2BKK ADP 0.00003466 0.49148 8.87574
101 3K5I ADP 0.001337 0.41819 9.02527
102 1I7L ATP 0.00042 0.41993 9.38628
103 2YW2 ATP 0.002379 0.40506 9.38628
104 4O1P ANP 0.000000007208 0.67218 10.1083
105 5DZT AMP 0.0006707 0.47727 10.1083
106 4XMF HSM 0.00585 0.45048 10.3261
107 1TZD ADP 0.0001036 0.51866 10.5455
108 1W2D ADP 0.0003128 0.47967 10.566
109 2PYW ADP 0.000001043 0.53556 11.1913
110 4CYI ATP 0.000002115 0.52401 11.1913
111 4IX4 ADP 0.000001884 0.57023 12.2744
112 5C4L 4XR 0.00001508 0.5485 12.2744
113 2PZI AXX 0.00001259 0.53857 12.2744
114 5C4L SIS 0.0001335 0.50389 12.2744
115 4DFU QUE 0.003332 0.44101 12.2744
116 2PUL ACP 0.000001424 0.56672 12.6354
117 5MW8 ATP 0.000007044 0.54938 12.6354
118 4AZT LY2 0.0004049 0.47434 12.6354
119 4AZW ATP 0.00004708 0.47343 12.6354
120 1ZTH ADP 0.0000001584 0.63653 12.7907
121 1ZP9 ATP 0.0000004963 0.59515 12.7907
122 3RE4 TO1 0.0000005851 0.60952 13.1783
123 4XYM A12 0.0007777 0.43312 13.3574
124 2H88 TEO 0.01595 0.40235 13.5922
125 4CS9 AMP 0.003321 0.42898 15.873
126 4Y0X ADP 0.0000002799 0.60642 16
127 4CRL C1I 0.00000002055 0.49466 17.3285
128 5CKW ANP 0.000001291 0.59317 18.0505
129 3TY5 ATP 0.004813 0.42312 18.0505
130 3TY5 ADP 0.005989 0.41011 18.0505
131 3OFM 4B0 0.000000005125 0.64758 19.1336
132 2PVN P63 0.00000000114 0.56263 19.6023
133 4LOO SB4 0.00000936 0.5194 19.8556
134 3LQV ADE 0.005595 0.41767 20.5128
135 4JR7 GNP 0.0000000006785 0.69422 21.6607
136 4Y85 499 0.0000005578 0.58474 21.6607
137 4F9C 0SX 0.00000002025 0.64849 22.0217
138 3PE2 E1B 0.0000001206 0.6709 22.2552
139 5GZ9 ANP 0.0000000003874 0.7437 22.3827
140 1CM8 ANP 0.0000001716 0.6074 23.4657
141 4Y8D 49J 0.000000006879 0.65108 24.1877
142 2QLU ADE 0.00000007133 0.69294 25.2708
143 3M2W L8I 0.000000001048 0.72798 27.4368
144 4U44 3D9 0.00000002059 0.65186 29.2169
145 4IJP 1EH 0.00000000687 0.68023 31.4079
146 5T8O 76Z 0.000000007936 0.61705 31.4079
147 4JDI ANP 0.000000002734 0.63496 31.769
148 5VCV 1N1 0.0000000003924 0.62385 31.769
149 2X4Z X4Z 0.000000632 0.61922 31.769
150 5M06 ADP 0.0000005912 0.5917 31.769
151 4IDT T28 0.0000000105 0.66112 32.13
152 2VZ6 FEF 0.00000004172 0.6537 32.13
153 4FG8 ATP 0.0000001853 0.57108 32.13
154 3MVH WFE 0.0000000004111 0.56595 32.13
155 3ORK AGS 0.0000005592 0.51328 32.13
156 3H9R TAK 0.00000003915 0.67654 32.491
157 2F57 23D 0.00000009202 0.62831 32.491
158 4I94 ANP 0.00000008425 0.62108 32.491
159 1ZY5 ANP 0.000002095 0.55929 32.491
160 5LXC 7AA 0.0000000000781 0.73963 32.852
161 2VN9 GVD 0.000000002897 0.73178 32.852
162 2F2U M77 0.000000003601 0.71475 32.852
163 4X7Q 3YR 0.0000000007132 0.69312 32.852
164 2WEL K88 0.000001109 0.50858 32.852
165 4YZC STU 0.000000001402 0.75011 33.213
166 3TXO 07U 0.000000003282 0.69392 33.213
167 5UKL SIX 0.000001057 0.59652 33.213
168 3PVW QRX 0.000000124 0.52449 33.213
169 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.000000005633 0.40691 33.213
170 2JDR L20 0.000000005633 0.40691 33.213
171 2V7O DRN 0.0000000002236 0.78611 33.574
172 2B9H ADP 0.000000001531 0.706 33.574
173 2B9J ADP 0.000000001328 0.70088 33.574
174 3V8S 0HD 0.000000003317 0.68328 33.574
175 2B9I ADP 0.000000001517 0.68013 33.574
176 2B9F ADP 0.000000001639 0.67853 33.574
177 3C0G 3AM 0.00000001319 0.67691 33.574
178 4UAL 3FV 0.000000001745 0.69964 33.935
179 4H3P ANP 0.000000006165 0.65422 33.935
180 3UIM ANP 0.00000002136 0.6327 33.935
181 4H3Q ANP 0.000000002672 0.60896 33.935
182 3VHE 42Q 0.00000002329 0.51132 33.935
183 5IH9 6BF 0.0000002876 0.46027 33.935
184 5LVP ATP 0.0000001195 0.63248 34.296
185 5TA6 79D 0.0000001921 0.50893 34.296
186 2HY0 306 0.0000000575 0.64723 34.657
187 4BFM ANP 0.000000002087 0.64453 34.657
188 5AX9 4KT 0.00000001074 0.64366 34.657
189 4QTB 38Z 0.000000004241 0.55223 34.657
190 5EKO N17 0.00007637 0.44629 34.657
191 3TKI S25 0.00000000171 0.43283 34.657
192 4CFU 2WC 0.0000000003609 0.73737 35.0181
193 5X8I SQZ 0.0000000001557 0.72131 35.0181
194 4BCN T9N 0.00000000244 0.71094 35.0181
195 1Q8Y ADE 0.00000008503 0.66009 35.0181
196 4BCQ TJF 0.00000009122 0.64794 35.0181
197 2WU6 DKI 0.0000000003137 0.64583 35.0181
198 1Q8Y ADP 0.00000001432 0.61034 35.0181
199 3GC8 B45 0.0000001063 0.5616 35.0181
200 4BCM T7Z 0.0000002686 0.54208 35.0181
201 4WNK 453 0.0000001233 0.50489 35.0181
202 4C2W ANP 0.00000003362 0.6049 35.3791
203 4C2V YJA 0.00000005573 0.51411 35.3791
204 3AQV TAK 0.00007132 0.49411 35.3791
205 5EYK 5U5 0.00000004504 0.53098 35.5072
206 2A19 ANP 0.00000003271 0.66914 35.7401
207 1VJY 460 0.00000000006654 0.56531 35.7401
208 4G31 0WH 0.0000009959 0.44341 35.7401
209 3DLS ADP 0.000000002188 0.67786 36.1011
210 4BHN BH9 0.000000001009 0.65488 36.1011
211 4YLL 4E3 0.0000001257 0.62913 36.1011
212 3CY2 MB9 0.000000002803 0.60693 36.1011
213 5BYZ 4WE 0.0000004178 0.47596 36.1011
214 4N70 2HX 0.000000005421 0.43385 36.1011
215 5UOX 8GY 0.0000000005946 0.64787 36.1624
216 4G17 0VN 0.0000006938 0.56966 36.4621
217 4KS7 X4Z 0.0000001633 0.54584 36.4621
218 5UIU 8CG 0.000000002787 0.72177 36.8231
219 5JZJ AN2 0.0000000008496 0.70947 36.8231
220 1V0O INR 0.000000001093 0.66836 36.8231
221 3GNI ATP 0.00000001331 0.60799 36.8231
222 3GC0 AMP 0.0000006612 0.59799 36.8231
223 5LPB ADP 0.0000000005051 0.75535 37.1841
224 4OH4 ANP 0.0000000001116 0.72687 37.1841
225 5LPZ ADP 0.0000000008421 0.69011 37.1841
226 4L9I 8PR 0.000006334 0.53802 37.1841
227 2R5T ANP 0.00000001933 0.59101 37.5451
228 5DEY 59T 0.000002115 0.42157 37.5451
229 2YAK OSV 0.00000001517 0.52416 38.2671
230 2XK9 XK9 0.00000000943 0.49932 38.2671
231 2YAB AMP 0.000000006749 0.6771 38.6282
232 5A6N U7E 0.00000001081 0.66793 38.6282
233 3FHR P4O 0.0000001093 0.58768 38.6282
234 2XMY CDK 0.00000007987 0.70094 38.9892
235 3SLS ANP 0.000000002884 0.62212 38.9892
236 4BTK DTQ 0.0000001001 0.62125 38.9892
237 3KN5 ANP 0.00000007207 0.60101 38.9892
238 5LMK 6ZK 0.000001508 0.57327 38.9892
239 3KMW ATP 0.00001284 0.52444 38.9892
240 2BPM 529 0.000000001745 0.44691 38.9892
241 1PHK ATP 0.0000000009117 0.71609 39.3502
242 4NST ADP 0.000000001816 0.69886 39.3502
243 4OTH DRN 0.00000000282 0.62452 39.3502
244 2WEI VGG 0.000001447 0.57408 39.3502
245 4EUU BX7 0.000000008348 0.56181 39.3502
246 3IGO ANP 0.000000116 0.56116 39.3502
247 4DC2 ADE 0.000000006439 0.55931 39.3502
248 3E5A VX6 0.0000001679 0.53139 39.3502
249 3SXF BK5 0.0000006528 0.45346 39.3502
250 2ZV2 609 0.0000000001952 0.77501 39.7112
251 5LXM ADP 0.000000002231 0.69091 39.7112
252 5EFQ ADP 0.000000001143 0.68468 39.7112
253 5G1X ADP 0.000000007381 0.6679 39.7112
254 5LI1 ANP 0.0000000003528 0.65633 39.7112
255 5L8L ADP 0.00000008671 0.64899 39.7112
256 5LI9 ACP 0.00000003887 0.60618 39.7112
257 4NFN 2KC 0.0000004148 0.59044 39.7112
258 2CSN CKI 0.000000009248 0.55946 39.7112
259 4I6H 1C8 0.000004325 0.53408 39.7112
260 5DH3 5BS 0.00000001413 0.60912 40.0722
261 4USF 6UI 0.000000489 0.60484 40.0722
262 4AUA 4AU 0.0000009946 0.57362 40.0722
263 4WNP 3RJ 0.0000000003129 0.75235 40.4332
264 5AWM ANP 0.000000005312 0.70672 40.4332
265 5HQ0 LZ9 0.00000000007335 0.69752 40.4332
266 3GGF GVD 0.000000009253 0.67352 40.4332
267 5HVJ ANP 0.0000003624 0.64564 40.4332
268 3O0G 3O0 0.000000008418 0.66537 40.7942
269 1UNH IXM 0.000000001976 0.66468 40.7942
270 4AU8 Z3R 0.0000002393 0.628 40.7942
271 4UX9 ANP 0.0000000009125 0.65613 41.1552
272 4XH0 ADP 0.0000003855 0.64481 41.1552
273 3PTG 932 0.0000001681 0.56827 41.1552
274 3TTI KBI 0.000000016 0.54182 41.1552
275 3E7O 35F 0.000003107 0.43898 41.1552
276 4WHZ 3NL 0.0000004975 0.40431 41.1552
277 1U5R ATP 0.0000000007255 0.71251 41.5162
278 4L3L 5FI 0.00000002776 0.67495 41.5162
279 4IZY 1J2 0.00000003157 0.59282 41.5162
280 1RE8 BD2 0.000000001846 0.76003 41.8773
281 3IDB ANP 0.0000000005859 0.62999 41.8773
282 2QCS ANP 0.0000000006711 0.59452 41.8773
283 4WB6 ATP 0.000000001072 0.58927 41.8773
284 4QMN DB8 0.00000004539 0.4757 41.8773
285 2GU8 796 0.0000000009443 0.4262 41.8773
286 1XJD STU 0.0000000004255 0.68564 42.2383
287 3HZT J60 0.0000001202 0.64224 42.2383
288 3FHI ANP 0.0000000009627 0.58982 42.2383
289 4WB7 ATP 0.000000005765 0.49599 42.5993
290 4NM5 ADP 0.00000001121 0.58545 42.9603
291 2JLD AG1 0.00000002109 0.49992 42.9603
292 1O9U ADZ 0.00000007105 0.68831 43.3213
293 3F7Z 34O 0.000000003001 0.66717 43.3213
294 3ZRM ZRM 0.00000002488 0.62776 43.3213
295 2J7T 274 0.000001593 0.45997 43.3213
296 5DBX ANP 0.000001667 0.57934 43.6823
297 5JGA 6KC 0.000000001582 0.53089 44.0433
298 4XV1 904 0.00000001215 0.69876 44.4043
299 3HMO STU 0.000000002497 0.68874 44.4043
300 4D2S DYK 0.0000001281 0.63108 44.4043
301 4CQE CQE 0.0000001968 0.55082 44.4043
302 4A4X JUP 0.00000007618 0.53096 44.4043
303 3E8N VRA 0.00000000994 0.45016 44.4043
304 3E8N ATP 0.00000000994 0.45016 44.4043
305 5KO1 6UY 0.00000004509 0.6331 45.1264
306 5N87 N66 0.000000005428 0.49955 45.1264
307 5CEO 50D 0.0000001046 0.62041 45.4874
308 4M69 ANP 0.0000005281 0.59515 45.4874
309 4KBA 1QM 0.0000005597 0.49192 45.4874
310 5W4W 9WG 0.00000131 0.46342 45.4874
311 3ALN ANP 0.0000000036 0.63098 45.8484
312 2RIO ADP 0.000000005917 0.67215 46.2094
313 3DAK ANP 0.00000008974 0.62881 46.2094
314 2WQN ADP 0.000000147 0.6283 46.5704
315 5HES 032 0.0000000222 0.66044 46.9314
316 4YZN 4K5 0.00000000002858 0.67868 48.3755
317 4NW6 2NS 0.000000000761 0.54488 48.7365
318 2Z7R STU 0.0000000001145 0.67474 49.0975
Pocket No.: 2; Query (leader) PDB : 3SRV; Ligand: S19; Similar sites found: 16
This union binding pocket(no: 2) in the query (biounit: 3srv.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4I53 1C1 0.006426 0.41463 1.44404
2 4FFG LBS 0.01003 0.42151 2.52708
3 2MBR EPU 0.03727 0.41129 4.69314
4 2MBR FAD 0.03836 0.41129 4.69314
5 3B6R CRN 0.008908 0.40482 4.69314
6 2GQR ADP 0.009117 0.40181 4.69314
7 5AVF TAU 0.0129 0.4048 5.05837
8 5COU ATP 0.006779 0.40766 5.41516
9 3HRD FAD 0.005839 0.44278 6.06061
10 3HQ9 OXL 0.01713 0.40536 6.4982
11 4PZ6 GMP 0.001202 0.40095 6.4982
12 3TVQ DQH 0.0149 0.40527 6.50888
13 5LUN OGA 0.01741 0.40277 6.85921
14 3JRS A8S 0.008628 0.41046 9.13461
15 3T1A 5MA 0.009606 0.40471 10.8303
16 5KEW 6SB 0.01471 0.41019 20.1389
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