Receptor
PDB id Resolution Class Description Source Keywords
2VGP 1.7 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF AURORA B KINASE IN COMPLEX WITH A AMINOTHIAZOLE INHIBITOR XENOPUS LAEVIS NUCLEOTIDE-BINDING SERINE/THREONINE-PROTEIN KINASE ATP-BINDING TRANSFERASE COILED COIL CELL DIVISION KINASE CANCER INCENP NUCLEUS MITOSIS AURORA B METAL-BINDING AMINOTHIAZOLE PHOSPHORYLATION MAGNESIUM CELL CYCLE CENTROMERE MICROTUBULE
Ref.: DISCOVERY OF SELECTIVE AMINOTHIAZOLE AURORA KINASE INHIBITORS ACS CHEM.BIOL. V. 3 180 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AD6 A:1357;
B:1356;
Valid;
Valid;
none;
none;
ic50 = 577 nM
312.186 C11 H10 Br N3 O S CNC(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C2V 1.49 Å EC: 2.7.11.1 AURORA B KINASE IN COMPLEX WITH THE SPECIFIC INHIBITOR BARASERTIB XENOPUS LAEVIS TRANSFERASE-CELL CYCLE COMPLEX AZD1152
Ref.: STRUCTURE OF AURORA B-INCENP IN COMPLEX WITH BARASE REVEALS A POTENTIAL TRANSINHIBITORY MECHANISM ACTA CRYSTALLOGR.,SECT.F V. 70 294 2014
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 2VGP ic50 = 577 nM AD6 C11 H10 Br N3 O S CNC(=O)c1c....
2 2VGO ic50 = 500 nM AD5 C21 H27 N7 O c1cc(ccc1N....
3 2VRX - 447 C29 H31 N5 O4 COc1cc2c(c....
4 3ZTX - ZTX C24 H26 N6 O2 CN1c2ccccc....
5 2BFY - H1N C29 H32 N4 O3 S CCS(=O)(=O....
6 4C2V ic50 = 1 nM YJA C26 H30 F N7 O3 CCN(CCCOc1....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 5EYK ic50 = 3 nM 5U5 C29 H28 N4 O2 CCNC(=O)C#....
2 5K3Y - 6Q4 C28 H38 F3 N7 O2 CC(C)NC(=O....
3 2VGP ic50 = 577 nM AD6 C11 H10 Br N3 O S CNC(=O)c1c....
4 2VGO ic50 = 500 nM AD5 C21 H27 N7 O c1cc(ccc1N....
5 2VRX - 447 C29 H31 N5 O4 COc1cc2c(c....
6 3ZTX - ZTX C24 H26 N6 O2 CN1c2ccccc....
7 2BFY - H1N C29 H32 N4 O3 S CCS(=O)(=O....
8 4C2V ic50 = 1 nM YJA C26 H30 F N7 O3 CCN(CCCOc1....
9 4C2W - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 5EYK ic50 = 3 nM 5U5 C29 H28 N4 O2 CCNC(=O)C#....
2 5K3Y - 6Q4 C28 H38 F3 N7 O2 CC(C)NC(=O....
3 2VGP ic50 = 577 nM AD6 C11 H10 Br N3 O S CNC(=O)c1c....
4 2VGO ic50 = 500 nM AD5 C21 H27 N7 O c1cc(ccc1N....
5 2VRX - 447 C29 H31 N5 O4 COc1cc2c(c....
6 3ZTX - ZTX C24 H26 N6 O2 CN1c2ccccc....
7 2BFY - H1N C29 H32 N4 O3 S CCS(=O)(=O....
8 4C2V ic50 = 1 nM YJA C26 H30 F N7 O3 CCN(CCCOc1....
9 4C2W - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AD6; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AD6 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4C2V; Ligand: YJA; Similar sites found: 313
This union binding pocket(no: 1) in the query (biounit: 4c2v.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.03256 0.41287 None
2 3T2W BTN 0.02171 0.40881 None
3 3ZW0 FUC 0.03635 0.40367 None
4 4F4S EFO 0.0402 0.40262 None
5 2WR1 NAG 0.003351 0.45327 1.75439
6 3KYQ DPV 0.03687 0.40464 2.01005
7 2PYW ADP 0.0003001 0.47151 2.80702
8 2UXI G50 0.0143 0.40043 2.85714
9 4RL0 3S0 0.02782 0.40714 2.89256
10 2ET1 GLV 0.004242 0.45671 2.98507
11 5DCH 1YO 0.04524 0.40082 3.125
12 5I35 ANP 0.0001104 0.41262 3.15789
13 4L80 OXL 0.04178 0.40492 3.15789
14 1A05 IPM 0.04069 0.40373 3.15789
15 4LH7 1X8 0.02465 0.4015 3.15789
16 3ORQ ADP 0.01212 0.40062 3.15789
17 5J32 IPM 0.03439 0.40814 3.50877
18 1N5S ADL 0.01626 0.40426 3.57143
19 1FMB HYB 0.006249 0.43181 3.84615
20 2IF8 ADP 0.0016 0.47701 3.85965
21 2ZHL NAG GAL GAL NAG 0.01598 0.41171 4.05405
22 1SQL GUN 0.04561 0.40242 4.10959
23 3DGY 2GP 0.02447 0.41634 4.12371
24 4AVB CMP 0.001966 0.45649 4.21053
25 4GYI ADP 0.002527 0.45114 4.21053
26 1H8S AIC 0.0182 0.41673 4.54545
27 4DOL PLM 0.01299 0.40551 4.54545
28 4NZF ARB 0.03997 0.40276 4.54545
29 1OGX EQU 0.0104 0.41706 4.58015
30 1I7L ATP 0.001617 0.42865 4.91228
31 3S6X SIA GAL BGC 0.02394 0.4144 4.91228
32 3P7N FMN 0.01436 0.40035 5.03876
33 4LI4 AMP 0.01581 0.41991 5.14706
34 3KFF XBT 0.03652 0.40487 5.55556
35 3KFF ZBT 0.03652 0.40487 5.55556
36 4DFU QUE 0.006278 0.4456 5.61404
37 2ZL7 FUC GAL NGA 0.02214 0.41317 5.61404
38 3AB4 THR 0.02959 0.40197 5.61798
39 4QPW XYP XYP XYP 0.02069 0.41856 5.6338
40 1M6P M6P 0.02807 0.411 5.92105
41 5MRH Q9Z 0.0276 0.40732 5.96491
42 4Q0K GA3 0.02218 0.40117 6.17284
43 2HZQ STR 0.03182 0.40988 6.32184
44 5AIG VPR 0.01768 0.41334 6.4
45 1W2D ADP 0.002249 0.45848 6.41509
46 3OCP CMP 0.000945 0.47741 6.47482
47 2PUL ACP 0.000205 0.49351 6.66667
48 1OBD ATP 0.01727 0.41003 6.66667
49 1UAS GLA 0.03557 0.40156 6.66667
50 4WJT NAG 0.003284 0.43303 6.81818
51 1EHI ADP 0.007685 0.41262 6.81818
52 3E7S AT2 0.04123 0.40183 6.81818
53 1RGE 2GP 0.02914 0.41252 7.29167
54 3WG3 A2G GAL NAG FUC 0.01616 0.42511 7.30337
55 1RDS GPC 0.01886 0.40458 7.61905
56 4BKS X6C 0.03733 0.40661 7.69231
57 4INW 1EY 0.003703 0.43063 7.85714
58 1RL4 BRR 0.03829 0.40376 8.51064
59 4LO2 GAL BGC 0.008198 0.43413 8.84354
60 6FIV 3TL 0.01229 0.41357 8.84956
61 2CBT TH2 0.0309 0.40876 8.92857
62 2GZM DGL 0.03711 0.40059 8.98876
63 4OAV ACP 0.00002645 0.53522 9.09091
64 2VQD AP2 0.003879 0.42249 9.09091
65 5F2T PLM 0.007121 0.42118 9.09091
66 2QES ADE 0.03124 0.41401 9.09091
67 3O2K DST 0.03984 0.40283 9.09091
68 2ARC ARA 0.03565 0.40151 9.09091
69 1ULE GLA GAL NAG 0.01073 0.41631 9.33333
70 4OFG PCG 0.003047 0.44714 9.72222
71 3KO0 TFP 0.01993 0.41196 9.90099
72 2CDO GAL AAL GAL AAL GAL AAL 0.000633 0.4885 10
73 3TDV GDP 0.00003943 0.52123 10.1754
74 5TDC NMM ILE PHE SER 0.0353 0.40895 10.5263
75 2WA4 069 0.02694 0.40045 10.5263
76 1ZTH ADP 0.001118 0.47374 11.3636
77 1ZP9 ATP 0.0009735 0.46649 11.3636
78 3VSV XYS 0.004204 0.45943 11.3636
79 4ANW O92 0.000366 0.42954 11.3636
80 5K2M ADP 0.0009122 0.40778 11.3636
81 3KP6 SAL 0.0131 0.43316 11.9205
82 5EK3 5PK 0.03423 0.40244 12.2807
83 4XMF HSM 0.015 0.40133 12.5
84 4AZT LY2 0.003333 0.44989 12.6316
85 1IA9 ANP 0.001386 0.44614 13.6364
86 2IO8 ADP 0.000717 0.44335 13.6364
87 3RGA LSB 0.004088 0.43251 13.6364
88 1CKM GTP 0.00921 0.43207 13.6364
89 3WXL ADP 0.007855 0.4311 13.6364
90 5CJF 520 0.01017 0.42139 13.6364
91 1CKN GTP 0.01519 0.42082 13.6364
92 3CV2 OXL 0.01635 0.41982 13.6364
93 4OCV ANP 0.005339 0.41976 13.6364
94 1F4X MGS 0.02399 0.41769 13.6364
95 3KU0 ADE 0.03206 0.41318 13.6364
96 4MZU TYD 0.04098 0.40413 13.6364
97 4PU5 ANP 0.007459 0.40385 13.6364
98 5GZ9 ANP 0.0000006546 0.51117 14.0351
99 1AUX AGS 0.0008996 0.45887 15.0877
100 1PK8 ATP 0.001629 0.42527 15.0877
101 4RJD TFP 0.00428 0.4569 15.1515
102 5W3X ACO 0.0126 0.43154 15.9091
103 3K5I ADP 0.002701 0.42943 15.9091
104 2VUZ NAG BMA NAG MAN MAN NAG NAG 0.02121 0.41764 15.9091
105 4D4U FUC GAL NDG FUC 0.02733 0.40373 15.9091
106 2YW2 ATP 0.01054 0.40329 15.9091
107 3MEH THP 0.02664 0.4007 15.9091
108 3T4L ZEA 0.000866 0.45963 18.1818
109 4O1P ANP 0.00001698 0.4432 18.1818
110 3P7G MAN 0.01135 0.43253 18.1818
111 2GPT TLA 0.02289 0.41621 18.1818
112 3PGU OLA 0.01793 0.41303 18.1818
113 1E4E ADP 0.008269 0.41119 18.1818
114 3TY5 ATP 0.02809 0.40313 18.1818
115 5TT6 ATP 0.009203 0.40287 18.1818
116 2R4V GSH 0.04491 0.40077 18.1818
117 1EPB REA 0.01626 0.40426 19.5122
118 4CYI ATP 0.0002626 0.41245 19.6491
119 3VPB ADP 0.0002651 0.45748 20.4545
120 1GSA ADP 0.00004625 0.44908 20.4545
121 3VPC ADP 0.001121 0.44246 20.4545
122 4U98 ACP 0.004154 0.43218 20.4545
123 4R78 AMP 0.009856 0.43054 20.4545
124 4OCT AKG 0.02097 0.40957 20.4545
125 4WOV 3SM 0.000002112 0.60215 21.0526
126 5C03 AGS 0.00008815 0.41957 21.0526
127 4Q5H ANP 0.0005724 0.46789 21.7949
128 5MY8 RXZ 0.000004623 0.49243 22.4561
129 3ZJX BOG 0.007413 0.44437 22.7273
130 4FE2 ADP 0.004791 0.43748 22.7273
131 4MRP GSH 0.04407 0.41924 22.7273
132 4WW7 AMP 0.000317 0.41639 22.7273
133 4X8D AVI 0.02722 0.40654 22.7273
134 4CS9 AMP 0.01833 0.40546 22.7273
135 3VHE 42Q 0.0000005605 0.54526 22.807
136 3LQV ADE 0.01434 0.42021 23.0769
137 1XX4 BAM 0.005433 0.4518 25
138 4KU7 PCG 0.002985 0.44758 25
139 2V5K OXM 0.03672 0.41544 25
140 5MW8 ATP 0.00002146 0.45916 27.2727
141 3I0O ADP 0.01103 0.42371 27.2727
142 4ME6 ADP 0.02986 0.40845 27.2727
143 3KMW ATP 0.0005652 0.47285 28.7823
144 3PDT ADP 0.0002508 0.49474 29.5455
145 4ZS4 ATP 0.0001651 0.4877 29.5455
146 4GJ3 0XP 0.00000000003789 0.70688 29.8246
147 3LXN MI1 0.0000000238 0.65222 29.8246
148 4P5Z Q7M 0.0000005331 0.55947 29.8246
149 1BHX ASP PHE GLU GLU ILE 0.001534 0.46683 30
150 3C1X CKK 0.00008188 0.49156 30.5263
151 5EOB 5QQ 0.00000001038 0.6503 30.8772
152 3GNI ATP 0.0000016 0.57168 31.2281
153 4EWH T77 0.00000000148 0.6572 31.2727
154 3PP0 03Q 0.0000009452 0.55195 31.5789
155 4KBA 1QM 0.000001449 0.53935 31.5789
156 5NKB 8ZT 0.00000002225 0.52401 31.5789
157 1BYG STU 0.00000001329 0.51574 31.6547
158 4XH0 ADP 0.00001622 0.58603 31.8182
159 3UDZ ADP 0.00004932 0.43483 31.8182
160 4AXD ANP 0.0002213 0.41488 31.8182
161 4BTK DTQ 0.0002263 0.40803 31.9298
162 5HES 032 0.00000002979 0.54568 32.2807
163 5LXC 7AA 0.00000005219 0.50393 32.2807
164 3UIM ANP 0.00009496 0.50371 32.2807
165 4BKJ STI 0.0002862 0.4287 32.2807
166 5KO1 6UY 0.00002852 0.43027 32.8622
167 2QLU ADE 0.0000001826 0.69035 32.9825
168 1U59 STU 0.00000001589 0.6771 32.9825
169 1VJY 460 0.00000002645 0.60035 32.9825
170 1OPK P16 0.000001392 0.52259 32.9825
171 3KRR DQX 0.00000002586 0.64439 33.3333
172 2CSN CKI 0.000002316 0.53634 33.3333
173 3LXK MI1 0.00000001821 0.61424 33.6842
174 4FL3 ANP 0.0000001477 0.61012 33.6842
175 4U0I 0LI 0.0000003556 0.55491 33.6842
176 2Y6O 1N1 0.00000002549 0.64309 34.0351
177 1U5R ATP 0.0000001576 0.63958 34.0351
178 3PLS ANP 0.00001443 0.44084 34.0351
179 3R9V DXC 0.008348 0.44207 34.0909
180 4TWP AXI 0.0000002223 0.58431 34.3173
181 4IDT T28 0.00000001405 0.68882 34.386
182 2H8H H8H 0.00000008756 0.51163 34.386
183 5LPZ ADP 0.000006752 0.45666 34.386
184 5LPB ADP 0.000003383 0.4424 34.386
185 3G5D 1N1 0.0000000849 0.61409 34.7368
186 5BYZ 4WE 0.00000001722 0.60521 34.7368
187 1CM8 ANP 0.0002932 0.48622 34.7368
188 5HCY 60D 0.00000006484 0.60416 35.0877
189 5T8O 76Z 0.000002607 0.56234 35.0877
190 1Y57 MPZ 0.000003362 0.54574 35.0877
191 5U6C 7YS 0.000009042 0.46797 35.0877
192 3E8N VRA 0.0000025 0.45279 35.0877
193 3E8N ATP 0.0000025 0.45279 35.0877
194 3SRV S19 0.00000005573 0.51411 35.3791
195 2XVD AS6 0.0000006745 0.53762 35.4386
196 5JGA 6KC 0.000000007678 0.59684 35.7895
197 5MJA 7O3 0.0000004205 0.48466 35.7895
198 4F4P 0SB 0.0000004517 0.58776 35.8974
199 4AT3 LTI 0.000003592 0.51455 36.1404
200 4XLI 1N1 0.000000004996 0.70989 36.194
201 2HK5 1BM 0.0000006456 0.50103 36.2963
202 1TQP ATP 0.004852 0.40877 36.3636
203 4QCK ASD 0.01586 0.40822 36.3636
204 1ZOY UQ1 0.04029 0.40475 36.3636
205 3NNT DQA 0.03037 0.4014 36.3636
206 4RFM 3P6 0.0000003676 0.45914 36.4662
207 4LOO SB4 0.00001082 0.54701 36.4912
208 1OUK 084 0.0001884 0.50307 36.4912
209 3GC8 B45 0.00000346 0.55094 36.8421
210 5EKO N17 0.0001722 0.4279 36.8421
211 2X2M X2M 0.0000000005294 0.71579 37.193
212 3VRY B43 0.0000008591 0.55914 37.193
213 5TO8 7FM 0.0000005828 0.55965 37.234
214 4CSV STI 0.00001172 0.46637 37.4545
215 5JKG 6LF 0.00000001316 0.62261 37.5439
216 3BU5 ATP 0.0000004934 0.48971 37.5439
217 3EKK GS2 0.000000001622 0.58852 37.8947
218 4YLL 4E3 0.000003262 0.48909 37.8947
219 1PHK ATP 0.0000009183 0.48551 37.8947
220 4NST ADP 0.00001116 0.45376 37.8947
221 5USZ SKE 0.0000007049 0.53173 38.2456
222 5EFQ ADP 0.000006205 0.46153 38.2456
223 5H2U 1N1 0.000000238 0.50327 38.5768
224 3KRL KRL 0.000000008164 0.66445 38.5965
225 4CLI 5P8 0.0000001355 0.59136 38.5965
226 5IKI A9H 0.0192 0.41553 38.6364
227 5DA3 58V 0.0000001699 0.66554 38.8679
228 4Y85 499 0.00002293 0.43341 38.9474
229 2OO8 RAJ 0.0001582 0.42498 38.9474
230 2OFV 242 0.0000004128 0.56025 38.9892
231 4K33 ACP 0.000000357 0.60754 39.2982
232 4Y93 746 0.000001193 0.5129 39.2982
233 2PVF ACP 0.0000001436 0.64147 40
234 3RI1 3RH 0.00000003266 0.61057 40
235 5VC5 96M 0.000000007204 0.6044 40
236 4CRL C1I 0.00001135 0.50088 40
237 3GQI ACP 0.0000004636 0.60983 40.3509
238 2WU6 DKI 0.000001226 0.5643 40.3509
239 4ASE AV9 0.000000741 0.52984 40.3509
240 5FBN 5WF 0.00000007069 0.58811 40.5904
241 5UR1 YY9 0.000000003243 0.65436 40.7018
242 4YZC STU 0.000000002278 0.65041 40.7018
243 5HX8 66P 0.00000002515 0.61512 40.7018
244 4AG8 AXI 0.00000008995 0.53541 40.7018
245 5CEO 50D 0.000004987 0.45529 40.7018
246 1K3A ACP 0.000001053 0.45496 41.0526
247 2A19 ANP 0.00000525 0.5907 41.1972
248 3BZ3 YAM 0.00000004594 0.45911 41.3043
249 3NW7 LGV 0.000000112 0.59781 41.4035
250 5DBX ANP 0.000009914 0.43124 41.4035
251 4YMJ 4EJ 0.0000005486 0.66514 41.7544
252 4E1Z 0MX 0.00000002435 0.63645 41.7544
253 4WNK 453 0.0000001366 0.56861 42.1053
254 3E7O 35F 0.0000001929 0.56718 42.1053
255 5TA6 79D 0.0000004044 0.56119 42.1053
256 3TTI KBI 0.0000009246 0.54704 42.1053
257 4WHZ 3NL 0.0000002122 0.47076 42.1053
258 3PTG 932 0.000002194 0.43978 42.1053
259 3FC2 IBI 0.01598 0.40314 42.1053
260 1O9U ADZ 0.000001751 0.66847 43.1579
261 4IZY 1J2 0.00000238 0.56408 43.1579
262 4E93 GUI 0.0000006828 0.52726 43.1579
263 2JLD AG1 0.000001714 0.50741 43.1579
264 4NM5 ADP 0.000002477 0.49019 43.1579
265 5X8I SQZ 0.0000005225 0.48969 43.1579
266 3SXS PP2 0.00000002883 0.64855 43.2836
267 4UX9 ANP 0.0000001775 0.61376 43.5088
268 3ZRM ZRM 0.000002679 0.57486 43.5088
269 3ALN ANP 0.00005046 0.50563 43.5088
270 3F7Z 34O 0.000001702 0.47385 43.5088
271 3H9R TAK 0.0000007189 0.64361 43.8596
272 5UOX 8GY 0.000000002808 0.57892 43.9114
273 3SLS ANP 0.000005516 0.54218 44.2105
274 3SLS 77D 0.003154 0.43383 44.2105
275 5JFS 6K0 0.0000008811 0.55419 44.5614
276 5N87 N66 0.000000000169 0.69223 44.9123
277 4BHN BH9 0.00000000215 0.5751 44.9123
278 3HMO STU 0.0000002005 0.63467 45.2632
279 3PVW QRX 0.00000003743 0.6082 45.2632
280 2B9F ADP 0.000001929 0.5814 45.2632
281 5UKL SIX 0.000003784 0.50483 45.2632
282 4L9I 8PR 0.000001894 0.46293 45.2632
283 5AWM ANP 0.00003172 0.41394 45.2632
284 3X01 AMP 0.001302 0.48364 45.4545
285 4D2S DYK 0.00000001189 0.50637 46.1268
286 2F57 23D 0.00000001871 0.69264 46.3158
287 2B9J ADP 0.000001702 0.59111 46.3158
288 2B9I ADP 0.000001212 0.59066 46.3158
289 4QMN DB8 0.00000007058 0.59013 46.3158
290 1ZY5 ANP 0.00004355 0.52507 46.3158
291 2B9H ADP 0.000000939 0.4906 46.3158
292 4I6H 1C8 0.000000548 0.60649 46.6667
293 2ZV2 609 0.000000007569 0.7334 47.3684
294 3GC0 AMP 0.0000008674 0.45827 47.3684
295 2VZ6 FEF 0.0000002494 0.64766 47.7193
296 3HZT J60 0.000001726 0.61496 47.7193
297 5BVE 4VG 0.0000000336 0.63718 47.7273
298 4H3Q ANP 0.000007588 0.53075 47.7273
299 4H3P ANP 0.000009481 0.45233 47.7273
300 4AUA 4AU 0.000001498 0.46626 48.0702
301 5HQ0 LZ9 0.0000001996 0.51828 48.7719
302 4AU8 Z3R 0.0000006008 0.63798 49.1228
303 3O0G 3O0 0.000000201 0.49169 49.1228
304 1UNH IXM 0.0000000996 0.48303 49.1228
305 2WEL K88 0.000000219 0.43807 49.1228
306 2XMY CDK 0.000000007527 0.66814 49.4737
307 2F2U M77 0.0000002045 0.66149 49.4737
308 2VN9 GVD 0.00000001076 0.49091 49.4737
309 2BPM 529 0.0000001602 0.47129 49.4737
310 4WB7 ATP 0.00002032 0.45492 49.4737
311 4BCN T9N 0.0000004188 0.63662 49.8246
312 4WB6 ATP 0.0000003562 0.53542 49.8246
313 5LMK 6ZK 0.0000003889 0.47371 49.8246
314 4QTB 38Z 0.0000003289 0.55931 50
Pocket No.: 2; Query (leader) PDB : 4C2V; Ligand: YJA; Similar sites found: 37
This union binding pocket(no: 2) in the query (biounit: 4c2v.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MA0 XYP 0.03827 0.40495 2.80702
2 3G0I VPR 0.02975 0.41085 3.15789
3 2XEM SSV 0.01128 0.42449 3.33333
4 1XDN ATP 0.0236 0.40108 3.61011
5 1J6X MET 0.02426 0.41625 3.75
6 5K8S CMP 0.007705 0.41729 4.05405
7 3N1S 5GP 0.0058 0.43473 4.20168
8 2XN5 FUN 0.0095 0.42827 4.21053
9 4GLW 0XT 0.02244 0.41323 4.5614
10 2G50 PYR 0.02101 0.40814 4.5614
11 1JQY A32 0.02089 0.40716 4.85437
12 3PNA CMP 0.01607 0.4208 5.19481
13 4H6B 10Y 0.0392 0.40052 5.64103
14 4L6T GAL NGA GAL BGC SIA 0.009384 0.43294 6.01504
15 4AIA ADK 0.02217 0.4024 6.38298
16 2FVK DUC 0.04833 0.40031 6.66667
17 2EB5 OXL 0.04893 0.40038 6.74157
18 3R51 MMA 0.03059 0.40281 7.5
19 1HGX 5GP 0.03392 0.40382 7.65027
20 4W9F 3JU 0.04022 0.40378 7.69231
21 4IMO PWZ 0.04135 0.40064 8.52273
22 2HW1 FRU 0.02131 0.41953 9.12281
23 2WCU FUC 0.02939 0.41129 10.0671
24 4GGZ BTN 0.02232 0.40943 13.6364
25 5NBW 8SK 0.01985 0.40827 13.6364
26 2CFM AMP 0.004052 0.44698 15.9091
27 3B6R CRN 0.001691 0.44071 15.9091
28 3SHR CMP 0.009027 0.42939 15.9091
29 4UWH JXM 0.01357 0.41276 15.9091
30 5N18 8HZ 0.04615 0.40032 15.9091
31 3TY5 ADP 0.01972 0.40487 18.1818
32 4C1M NIH 0.04068 0.40099 18.1818
33 2HKA C3S 0.0108 0.40411 20
34 4I9A NCN 0.01504 0.40382 20.4545
35 4NPT 017 0.01672 0.41581 25
36 2JFV FLC 0.04959 0.40036 27.2727
37 5NCY 8TK 0.00106 0.42198 36.3636
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