Receptor
PDB id Resolution Class Description Source Keywords
3HMO 2.4 Å EC: 2.7.12.1 CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX INHIBITOR STAUROSPORINE HOMO SAPIENS MPS1 TTK STU STAUROSPORINE KINASE ATP-BINDING NUCLEOTIBINDING PHOSPHOPROTEIN SERINE/THREONINE-PROTEIN KINASE TPROTEIN KINASE TRANSFERASE
Ref.: BIOPHYSICAL AND X-RAY CRYSTALLOGRAPHIC ANALYSIS OF KINASE INHIBITOR COMPLEXES. BIOCHEMISTRY V. 49 1689 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7PE A:1153;
Invalid;
none;
submit data
310.384 C14 H30 O7 CCOCC...
GOL A:4;
A:811;
A:812;
A:813;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
IPA A:2;
A:3;
A:810;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
60.095 C3 H8 O CC(C)...
STU A:1;
Valid;
none;
ic50 = 0.102 uM
466.531 C28 H26 N4 O3 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HMO 2.4 Å EC: 2.7.12.1 CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX INHIBITOR STAUROSPORINE HOMO SAPIENS MPS1 TTK STU STAUROSPORINE KINASE ATP-BINDING NUCLEOTIBINDING PHOSPHOPROTEIN SERINE/THREONINE-PROTEIN KINASE TPROTEIN KINASE TRANSFERASE
Ref.: BIOPHYSICAL AND X-RAY CRYSTALLOGRAPHIC ANALYSIS OF KINASE INHIBITOR COMPLEXES. BIOCHEMISTRY V. 49 1689 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3HMP ic50 = 38.41 uM CX4 C12 H12 Cl N3 c1cc2c(cc1....
2 3HMO ic50 = 0.102 uM STU C28 H26 N4 O3 C[C@@]12[C....
70% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3HMP ic50 = 38.41 uM CX4 C12 H12 Cl N3 c1cc2c(cc1....
2 3HMO ic50 = 0.102 uM STU C28 H26 N4 O3 C[C@@]12[C....
3 5N9S ic50 = 2.4 nM 8QW C29 H26 F N5 O4 S C[C@H](c1c....
4 5N87 ic50 = 0.9 nM N66 C33 H39 N7 O2 CCc1cccc(c....
5 5AP0 - AU5 C24 H32 N6 O3 CN1CCC(CC1....
6 5MRB Kd = 471 nM C5N C33 H40 N8 O2 CCc1cccc(c....
7 4C4J - X21 C26 H26 Cl N7 O2 CC(C)(C)OC....
8 5N93 Ki = 7.7 nM 8QE C17 H20 N6 O CC(C)(C)Nc....
9 4C4F - 7CE C17 H14 N4 O2 COc1ccccc1....
10 5AP6 - PWU C26 H27 N7 O2 Cc1ncc(n1C....
11 5EI6 ic50 = 0.099 uM 5OQ C21 H20 N4 O2 Cn1cc(cn1)....
12 5AP7 - SVE C35 H39 F3 N8 O3 CCc1cccc(c....
13 3WZK ic50 = 58 nM O23 C21 H19 N5 O S c1cc(sc1)C....
14 5EHY ic50 = 0.81 uM 5O4 C16 H11 N3 O c1ccc(cc1)....
15 5AP1 - O38 C24 H25 N7 O Cn1cc(cn1)....
16 5N84 ic50 = 6.7 nM 8Q5 C20 H23 N5 O CC(C)CNc1c....
17 5EI8 ic50 = 0.008 uM 5OE C22 H20 N8 O Cn1cc(cn1)....
18 5EH0 Ki = 0.0005 uM 5NW C23 H27 N7 O CC(C)(C)CN....
19 4D2S ic50 = 0.02 uM DYK C24 H26 N6 O2 CN1CCC(CC1....
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HMP ic50 = 38.41 uM CX4 C12 H12 Cl N3 c1cc2c(cc1....
2 3HMO ic50 = 0.102 uM STU C28 H26 N4 O3 C[C@@]12[C....
3 5N9S ic50 = 2.4 nM 8QW C29 H26 F N5 O4 S C[C@H](c1c....
4 5N87 ic50 = 0.9 nM N66 C33 H39 N7 O2 CCc1cccc(c....
5 5AP0 - AU5 C24 H32 N6 O3 CN1CCC(CC1....
6 5MRB Kd = 471 nM C5N C33 H40 N8 O2 CCc1cccc(c....
7 4C4J - X21 C26 H26 Cl N7 O2 CC(C)(C)OC....
8 5N93 Ki = 7.7 nM 8QE C17 H20 N6 O CC(C)(C)Nc....
9 4C4F - 7CE C17 H14 N4 O2 COc1ccccc1....
10 5AP6 - PWU C26 H27 N7 O2 Cc1ncc(n1C....
11 5EI6 ic50 = 0.099 uM 5OQ C21 H20 N4 O2 Cn1cc(cn1)....
12 5AP7 - SVE C35 H39 F3 N8 O3 CCc1cccc(c....
13 3WZK ic50 = 58 nM O23 C21 H19 N5 O S c1cc(sc1)C....
14 5EHY ic50 = 0.81 uM 5O4 C16 H11 N3 O c1ccc(cc1)....
15 5AP1 - O38 C24 H25 N7 O Cn1cc(cn1)....
16 5N84 ic50 = 6.7 nM 8Q5 C20 H23 N5 O CC(C)CNc1c....
17 5EI8 ic50 = 0.008 uM 5OE C22 H20 N8 O Cn1cc(cn1)....
18 5EH0 Ki = 0.0005 uM 5NW C23 H27 N7 O CC(C)(C)CN....
19 4D2S ic50 = 0.02 uM DYK C24 H26 N6 O2 CN1CCC(CC1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STU; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 STU 1 1
2 UCN 0.666667 0.892308
3 KSA 0.535714 0.882353
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HMO; Ligand: STU; Similar sites found: 381
This union binding pocket(no: 1) in the query (biounit: 3hmo.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5C8W PCG 0.001587 0.40645 None
2 1IOW PHY 0.01608 0.40925 1.30719
3 4OUC 5ID 0.0000005723 0.57418 1.46199
4 4AZT LY2 0.00007097 0.47015 1.75439
5 3VPD ANP 0.003972 0.42207 1.77936
6 4CC6 L5Y 0.008332 0.4162 1.88679
7 3KA2 2NC 0.02931 0.41003 1.97044
8 1I7L ATP 0.0007939 0.45762 2.26537
9 3B6R CRN 0.001642 0.43077 2.33918
10 1T36 ADP 0.01422 0.40436 2.33918
11 4JD3 PLM 0.03533 0.40205 2.33918
12 4JD3 COA 0.034 0.40205 2.33918
13 3VPC ADP 0.0007883 0.45396 2.48227
14 4N14 WR7 0.01568 0.42173 2.54777
15 3UDZ ADP 0.00003365 0.51126 2.63158
16 4ANW O92 0.0003519 0.48558 2.63158
17 1PK8 ATP 0.0005632 0.46628 2.63158
18 3ETH ATP 0.000739 0.45524 2.63158
19 3I0O ADP 0.00116 0.422 2.63158
20 3TY5 ATP 0.001371 0.42193 2.63158
21 3F3E LEU 0.01208 0.41951 2.63158
22 3TY5 ADP 0.00233 0.41921 2.63158
23 5FCF GLY GLY GLY 0.009118 0.40896 2.63158
24 4UWH JXM 0.008546 0.40309 2.63158
25 2PUL ACP 0.00003045 0.50783 2.77078
26 1AUX AGS 0.0004975 0.45651 2.89389
27 4AXD ANP 0.0001042 0.51791 2.92398
28 5VZ0 ADP 0.0009147 0.4424 2.92398
29 5W2I ADP 0.0007318 0.45924 3.11284
30 5W2I I3P 0.0007318 0.45924 3.11284
31 2YGO PCF 0.01689 0.40348 3.19149
32 1IA9 ANP 0.0001385 0.46161 3.21429
33 3SJK LYS PRO VAL LEU ARG THR ALA 0.001359 0.46792 3.21637
34 2Q4W FAD 0.01755 0.40852 3.21637
35 2VPQ ANP 0.000726 0.45754 3.32594
36 2CFM AMP 0.0001948 0.4522 3.50877
37 2QK4 ATP 0.0005939 0.42799 3.50877
38 3WVR AMP 0.001509 0.42782 3.50877
39 4OCJ NDG 0.008419 0.42606 3.50877
40 5EPQ OLA 0.002406 0.42379 3.65854
41 2PYW ADP 0.00002639 0.51851 3.80117
42 5MW8 ATP 0.00007432 0.5027 3.80117
43 3MJY FMN 0.01719 0.40672 3.80117
44 3MJY IJZ 0.01719 0.40672 3.80117
45 2YGN PCF 0.01409 0.4072 3.84615
46 4YGM URA 0.04511 0.40291 3.87931
47 1C1X HFA 0.009125 0.4057 3.94366
48 1S68 AMP 0.0005124 0.42121 4.01606
49 2FXD DR7 0.01714 0.40318 4.0404
50 2IO8 ADP 0.0002258 0.48266 4.09357
51 3W0O ADP 0.001536 0.45248 4.09357
52 4OCV ANP 0.002103 0.43069 4.09357
53 3R4S SIA 0.01594 0.40331 4.09357
54 4R78 AMP 0.0005813 0.47277 4.20712
55 4RDL FUC GAL NDG FUC 0.00819 0.42405 4.22078
56 4X5S AZM 0.0103 0.41827 4.31034
57 4COQ SAN 0.009997 0.41919 4.38596
58 2HGS ADP 0.00689 0.41289 4.38596
59 5DG2 GAL GLC 0.002297 0.42884 4.44444
60 2AQX ATP 0.008903 0.40611 4.49827
61 4C5N ACP 0.00306 0.44244 4.71014
62 4C5N PXL 0.003336 0.44191 4.71014
63 2VQD AP2 0.0003194 0.46964 4.74138
64 2BW7 ECS 0.04262 0.40106 5.02283
65 3X01 AMP 0.0007565 0.47701 5.08906
66 5COU ATP 0.0001172 0.48192 5.29412
67 4B4Q A2G GAL NAG FUC GAL GLC 0.01822 0.40381 5.29801
68 2Y88 2ER 0.02176 0.40506 5.32787
69 2YMZ LAT 0.002991 0.42512 5.38462
70 4ZS4 ATP 0.00005311 0.47906 5.53746
71 4KM2 TOP 0.01063 0.42322 5.58659
72 1CKM GTP 0.006747 0.40981 5.75758
73 4OAV ACP 0.0000001067 0.61654 5.84795
74 4CYI ATP 0.00001032 0.5369 5.84795
75 3WO0 ALA 0.00444 0.43947 6.14035
76 3PDT ADP 0.0001202 0.47541 6.18182
77 5DMZ ADP 0.00001412 0.51232 6.43275
78 3T1A 5MA 0.007253 0.40653 6.43275
79 1ZIN AP5 0.0209 0.4089 6.45161
80 2CM4 RCL 0.007227 0.41024 6.66667
81 1M0W ANP 0.001822 0.42386 6.72515
82 4NJH 2K8 0.01794 0.40468 6.72515
83 5TT6 ATP 0.002037 0.40184 6.72515
84 4AZW ATP 0.002868 0.42661 7.01754
85 2IF8 ADP 0.0004624 0.4236 7.01754
86 1TQP ATP 0.0002991 0.47707 7.0922
87 3VPB ADP 0.0003034 0.41615 7.14286
88 1EHI ADP 0.005575 0.41167 7.30994
89 2V58 LZJ 0.000954 0.47841 7.34967
90 1W6P NDG GAL 0.01322 0.40998 7.46269
91 3TDV GDP 0.001583 0.4341 7.51634
92 5I35 ANP 0.000006953 0.53623 7.60234
93 5TT5 NAD 0.004916 0.42288 7.60234
94 4WVW SLT 0.01474 0.40609 8.18713
95 2DTJ THR 0.005517 0.42029 8.42697
96 3HAV ATP 0.0005397 0.41377 8.69565
97 3LQV ADE 0.007581 0.41344 8.69565
98 4XYM A12 0.00107 0.44386 9.13043
99 1GSA ADP 0.001122 0.44891 9.17722
100 5K2M ADP 0.003538 0.42783 9.43396
101 5A5W GUO 0.03104 0.40139 9.48617
102 3AKK ADP 0.002729 0.42561 9.94152
103 3RE4 TO1 0.00008165 0.46786 10.0775
104 3KMW ATP 0.0001112 0.48293 10.3321
105 3VOT ADP 0.001277 0.42166 10.3529
106 1W2D 4IP 0.005097 0.42662 10.566
107 1W2D ADP 0.0008482 0.42662 10.566
108 2BKK ADP 0.001677 0.42063 10.6061
109 1NE6 SP1 0.004112 0.41347 10.9541
110 4LRJ ANP 0.00004383 0.50083 11.2426
111 5DXT 5H5 0.0004078 0.46266 11.6959
112 5FI4 5XV 0.002369 0.43583 11.6959
113 5IQD RIO 0.0002028 0.504 12.1311
114 5IQD GNP 0.0001902 0.504 12.1311
115 3Q60 ATP 0.00001368 0.52322 12.2807
116 5C4L 4XR 0.0004907 0.47726 12.7726
117 5C4L SIS 0.002097 0.44754 12.7726
118 1ZTH ADP 0.00003298 0.48195 12.7907
119 1ZP9 ATP 0.0001044 0.47686 12.7907
120 1HDR NAD 0.01784 0.42087 13.1148
121 2QLU ADE 0.0000003137 0.66434 13.6943
122 1VJY 460 0.0000000594 0.66393 14.0351
123 4CRL C1I 0.0000001507 0.47041 14.3275
124 5GZ9 ANP 0.0000002023 0.61971 14.7541
125 4XH0 ADP 0.0000001248 0.67057 14.9123
126 2PZI AXX 0.0000077 0.54849 15.4971
127 4Y0X ADP 0.000004634 0.53497 15.4971
128 4IX4 ADP 0.0000731 0.49854 15.4971
129 1NCQ W11 0.004707 0.41498 16.1765
130 5W4W 9WG 0.0000005617 0.61578 16.3743
131 4KBA 1QM 0.000008233 0.45683 16.3743
132 4JR7 GNP 0.000000263 0.60256 16.6667
133 4I94 ANP 0.000002204 0.55832 16.9591
134 4DFU QUE 0.0204 0.40133 17.0807
135 4GYI ADP 0.0002239 0.48054 17.2515
136 2Y6O 1N1 0.0000001214 0.62695 17.5258
137 4BKJ STI 0.0001336 0.49509 18.4127
138 4O1P ANP 0.00000004129 0.6384 18.4211
139 3C1X CKK 0.000008318 0.54366 18.4211
140 3VHE 42Q 0.00000001335 0.68987 19.2982
141 4ASE AV9 0.0000002499 0.62565 19.2982
142 3PP0 03Q 0.000001132 0.4878 19.2982
143 5EOB 5QQ 0.000002216 0.61771 20.0627
144 4FF8 14S 0.0005245 0.43679 20.4334
145 5U6C 7YS 0.00000007202 0.57058 20.6349
146 4AG8 AXI 0.00000001588 0.48379 20.8861
147 5MY8 RXZ 0.0000001802 0.62733 21.0526
148 3H9R TAK 0.00000001874 0.59585 21.0526
149 3OJI PYV 0.008065 0.4063 21.164
150 3GQI ACP 0.00000057 0.58759 21.1656
151 1U59 STU 0.000000008791 0.66834 21.2544
152 5C03 AGS 0.00000272 0.54103 21.345
153 5UR1 YY9 0.00000006921 0.67787 21.865
154 4F9C 0SX 0.0000007675 0.5786 21.9298
155 3RI1 3RH 0.0000001252 0.63717 22.0447
156 1JPA ANP 0.00000005972 0.44009 22.1154
157 3PLS ANP 0.00000002691 0.64303 22.1477
158 4WW7 AMP 0.00001445 0.53277 22.4599
159 1Y57 MPZ 0.0000003893 0.60674 22.5146
160 2OO8 RAJ 0.0001627 0.48506 22.7129
161 3LXN MI1 0.0000001245 0.62346 22.956
162 4WOV 3SM 0.000001586 0.58035 23.0284
163 5T8O 76Z 0.000001315 0.53141 23.7822
164 5TO8 7FM 0.00000004272 0.68274 24.1135
165 1OPK P16 0.0000009392 0.46357 24.269
166 4GJ3 0XP 0.00000004862 0.66582 24.5033
167 4E1Z 0MX 0.0000002867 0.53561 25.0859
168 4IDT T28 0.0000001513 0.60983 25.1462
169 4WB6 ATP 0.000001278 0.59045 25.1462
170 5JGA 6KC 0.00000002306 0.49912 25.3968
171 1RE8 BD2 0.0000001358 0.66836 25.4386
172 2QCS ANP 0.0000006493 0.60407 25.4386
173 3FHI ANP 0.00000121 0.59155 25.4386
174 3IDB ANP 0.0000009319 0.58945 25.4386
175 4WB7 ATP 0.000004164 0.42295 25.4386
176 2GU8 796 0.000000375 0.6575 25.731
177 4CSV STI 0.000005516 0.48597 25.8182
178 2XVD AS6 0.00000002966 0.67119 25.8278
179 5KJZ PCG 0.005215 0.40889 26.6667
180 4Y93 746 0.000001008 0.49574 26.9006
181 5BYZ 4WE 0.0000006937 0.4631 26.9006
182 4BHN BH9 0.0000006243 0.54617 26.9461
183 1OUK 084 0.0000006067 0.68187 27.4854
184 1Q8Y ADP 0.000001128 0.58028 27.4854
185 4LOO SB4 0.000006469 0.54057 27.4854
186 1Q8Y ADE 0.0000007529 0.53551 27.4854
187 3FHR P4O 0.000001251 0.54434 27.6786
188 1ZY5 ANP 0.000004531 0.54446 27.7228
189 2R5T ANP 0.000001306 0.58014 27.7778
190 4G17 0VN 0.000004685 0.53531 27.7778
191 5USZ SKE 0.0000002616 0.50169 28.0277
192 5FBN 5WF 0.00000118 0.60631 28.0443
193 3GNI ATP 0.0000006719 0.54081 28.0702
194 4XLI 1N1 0.000001983 0.56035 28.7313
195 5UIU 8CG 0.000001833 0.5896 29.4118
196 4IJP 1EH 0.000000005142 0.68591 29.5322
197 4FL3 ANP 0.00000004248 0.57704 29.5322
198 5UOX 8GY 0.0000005132 0.5392 29.8893
199 4IZY 1J2 0.0000000003848 0.73671 30.117
200 3E8N ATP 0.000000366 0.64573 30.117
201 4UX9 ANP 0.00000002404 0.59858 30.117
202 3E8N VRA 0.000000366 0.40966 30.117
203 1BYG STU 0.00000001425 0.64317 30.2158
204 4TWP AXI 0.0000001935 0.41139 30.2583
205 4YZC STU 0.000000004768 0.72462 30.4094
206 3PTG 932 0.0000000001049 0.68502 30.4094
207 3TTI KBI 0.000000001549 0.56908 30.4094
208 4Y85 499 0.00001264 0.52474 30.4217
209 4WHZ 3NL 0.00000001701 0.43225 30.7018
210 5CKW ANP 0.00071 0.43102 30.7018
211 5M06 ADP 0.000001095 0.57956 30.7971
212 4NST ADP 0.0000000597 0.63126 30.9942
213 5EFQ ADP 0.00000001388 0.6595 31.5789
214 2CSN CKI 0.00000003631 0.66205 31.6498
215 3TKI S25 0.00000004838 0.69929 31.8885
216 2HY0 306 0.00000007001 0.64326 31.9876
217 5HX8 66P 0.000000008965 0.55629 32.1192
218 5LXC 7AA 0.000000007272 0.65629 32.1637
219 4BTK DTQ 0.000001684 0.56662 32.1637
220 4CLI 5P8 0.000000001228 0.76505 32.7217
221 3LXK MI1 0.000001428 0.59045 33.0275
222 5VC5 96M 0.0000000003865 0.75637 33.0409
223 4E93 GUI 0.00000003452 0.67507 33.0409
224 2H8H H8H 0.000000192 0.60865 33.0409
225 4EUU BX7 0.0000003142 0.61866 33.2288
226 2PVF ACP 0.00000004539 0.63297 33.3333
227 3ORK AGS 0.00000199 0.57927 33.4405
228 5HCY 60D 0.00000006461 0.68099 33.5347
229 3SXF BK5 0.0000005512 0.62205 33.6257
230 4M69 ANP 0.000003214 0.55976 33.9223
231 4NFN 2KC 0.000002536 0.55562 33.9806
232 4OH4 ANP 0.00000009913 0.62144 34.2342
233 5LVP ATP 0.0000001448 0.58922 34.4051
234 4K33 ACP 0.0000002157 0.60962 34.4615
235 4EWH T77 0.0000006159 0.49433 34.5455
236 5LPZ ADP 0.0000001276 0.59775 34.6386
237 2X2M X2M 0.000000009755 0.67664 34.7134
238 4Q5H ANP 0.0001792 0.46442 35.0575
239 3MVH WFE 0.00000005204 0.66215 35.0877
240 5JKG 6LF 0.00000006948 0.67071 35.3698
241 3GC8 B45 0.0000001922 0.6179 35.4054
242 2B9F ADP 0.00000006432 0.62982 35.4108
243 2B9H ADP 0.00000009359 0.62588 35.4108
244 2B9J ADP 0.00000006835 0.6251 35.4108
245 2B9I ADP 0.00000007812 0.60695 35.4108
246 4OTH DRN 0.000000008067 0.60298 35.4839
247 5UKL SIX 0.0000152 0.54269 35.6725
248 3PVW QRX 0.000001443 0.48995 35.6725
249 2Z7R STU 0.000000004507 0.61397 35.8255
250 3VRY B43 0.0000005781 0.50301 35.9649
251 3UIM ANP 0.0000002071 0.60718 36.1963
252 3V8S 0HD 0.0000000546 0.62942 36.5497
253 1XJD STU 0.0000001063 0.58849 36.5497
254 4L9I 8PR 0.000009022 0.53122 36.5497
255 5KO1 6UY 0.0000004479 0.58896 36.7491
256 5VCV 1N1 0.00000002562 0.56089 36.9775
257 3PE2 E1B 0.00000008533 0.67827 37.092
258 4WNK 453 0.000007785 0.56014 37.7193
259 4P5Z Q7M 0.00000002655 0.46832 37.7193
260 4NW6 2NS 0.00000008389 0.65684 37.7709
261 3OFM 4B0 0.0000001047 0.59391 38
262 5CEO 50D 0.0000005013 0.59007 38
263 4H3Q ANP 0.00000002233 0.66338 38.0117
264 1U5R ATP 0.00000003373 0.63869 38.0117
265 3TXO 07U 0.0000006148 0.57376 38.0117
266 4H3P ANP 0.000000006892 0.67305 38.3041
267 5TA6 79D 0.000000003494 0.564 38.3041
268 1CM8 ANP 0.00001038 0.52852 38.3041
269 3KRL KRL 0.00000005067 0.64417 38.5075
270 5NKB 8ZT 0.000000003835 0.4687 38.5621
271 3F7Z 34O 0.000000008092 0.66994 38.5965
272 3ZRM ZRM 0.00000002525 0.64792 38.5965
273 4NM5 ADP 0.0000000108 0.58248 38.5965
274 3HZT J60 0.0000001395 0.57685 38.5965
275 2JLD AG1 0.0000000005692 0.53824 38.5965
276 1O9U ADZ 0.00000003098 0.47112 38.5965
277 4N70 2HX 0.0000001627 0.66747 38.7195
278 5HVJ ANP 0.00000001636 0.72227 38.7302
279 3NW7 LGV 0.0000003057 0.65105 38.7622
280 4G31 0WH 0.000001974 0.43507 38.796
281 5LPB ADP 0.0000001616 0.57398 38.8514
282 3IGO ANP 0.0000002274 0.55019 38.8889
283 5DBX ANP 0.0000002384 0.57689 39.0244
284 4U0I 0LI 0.000002483 0.58539 39.0476
285 3C0G 3AM 0.00000007836 0.64099 39.1813
286 2RIO ADP 0.0000001687 0.60773 39.1813
287 4QTB 38Z 0.0000000005507 0.75206 39.4737
288 3G5D 1N1 0.0000002507 0.66626 39.5105
289 3EKK GS2 0.000000001319 0.50616 39.7394
290 3ALN ANP 0.0000005841 0.59317 39.7554
291 3BU5 ATP 0.000000008819 0.66828 39.8693
292 3KN5 ANP 0.0000002481 0.57957 40
293 5BVE 4VG 0.000000005383 0.7567 40.0585
294 4U44 3D9 0.000002608 0.55815 40.0602
295 5HES 032 0.0000003893 0.604 40.0651
296 4YZN 4K5 0.00000000292 0.60684 40.0697
297 5LI1 ANP 0.0000001001 0.63076 40.3509
298 4UAL 3FV 0.0000005442 0.58848 40.3509
299 5LI9 ACP 0.000000749 0.55138 40.3509
300 5EKO N17 0.00006745 0.50462 40.3509
301 3CY2 MB9 0.0000001205 0.54894 40.4459
302 3M2W L8I 0.0000002791 0.57699 40.4682
303 2X4Z X4Z 0.0000006935 0.6173 40.5405
304 2YAB AMP 0.000001498 0.57187 40.6433
305 4X7Q 3YR 0.00000005303 0.61445 40.7051
306 3GC0 AMP 0.0000002047 0.58251 40.7295
307 5JZJ AN2 0.0000002509 0.6001 40.7407
308 2V7O DRN 0.00000001445 0.60021 40.7738
309 4AT3 LTI 0.00000213 0.45484 40.8027
310 3BZ3 YAM 0.00000005037 0.40071 40.942
311 2XK9 XK9 0.0000002676 0.6389 40.9938
312 5IH9 6BF 0.00000003668 0.68014 41.2281
313 5JFS 6K0 0.00000006336 0.67628 41.2338
314 2WEL K88 0.00000003667 0.55191 41.2844
315 3KRR DQX 0.0000001775 0.68217 41.3559
316 2BPM 529 0.0000000001025 0.46224 41.4239
317 4XV1 904 0.0000006332 0.61729 41.4384
318 3E7O 35F 0.00000001083 0.49891 41.5205
319 2F2U M77 0.0000001095 0.64416 41.8129
320 4YMJ 4EJ 0.00000001765 0.71465 42.1053
321 4BFM ANP 0.00000001205 0.66922 42.1053
322 3SXS PP2 0.0000002288 0.56188 42.1642
323 4FG8 ATP 0.000002788 0.56255 42.2222
324 4CFU 2WC 0.000000002205 0.70175 42.2442
325 3DLS ADP 0.0000009254 0.56575 42.3881
326 3AQV TAK 0.00003431 0.50827 42.3913
327 4BCM T7Z 0.000000002441 0.61403 42.5249
328 4BCQ TJF 0.0000001263 0.57927 42.5249
329 4I6H 1C8 0.0000002156 0.58963 42.5325
330 2PVN P63 0.000000001925 0.55516 42.6136
331 4Y8D 49J 0.00000001328 0.64014 42.6471
332 4BCN T9N 0.00000001208 0.67868 42.6667
333 3SLS ANP 0.0000003119 0.60837 42.7632
334 1K3A ACP 0.00000003954 0.61161 42.8571
335 2XMY CDK 0.00000001403 0.73939 42.953
336 5LMK 6ZK 0.00000005473 0.61788 43.0976
337 4KS7 X4Z 0.0000001452 0.62628 43.1507
338 2OFV 242 0.0000001234 0.65496 43.3213
339 4L3L 5FI 0.00000002988 0.67345 43.4211
340 5L8L ADP 0.00000006245 0.65577 43.5088
341 5G1X ADP 0.0000007679 0.57859 43.5088
342 4JDI ANP 0.0000001557 0.61909 43.5673
343 5MJA 7O3 0.0000006644 0.57062 43.6066
344 4AUA 4AU 0.00000005955 0.62775 43.6482
345 5LXM ADP 0.0000004873 0.58734 43.8163
346 5AX9 4KT 0.0000008395 0.58009 43.8312
347 4CQE CQE 0.000008263 0.54379 43.8849
348 2A19 ANP 0.0000001162 0.64294 44.0141
349 5H2U 1N1 0.0000003317 0.5801 44.1948
350 5HQ0 LZ9 0.000000005376 0.6256 44.3709
351 3SRV S19 0.000000002497 0.68874 44.4043
352 5DH3 5BS 0.000001488 0.52987 44.4444
353 5DA3 58V 0.00000000222 0.72475 44.5283
354 2J7T 274 0.000004343 0.57203 44.702
355 2F57 23D 0.00000007124 0.61427 44.795
356 2VN9 GVD 0.000000008758 0.60963 44.8505
357 5AWM ANP 0.00000002889 0.67171 45.0292
358 4F4P 0SB 0.00000143 0.63185 45.0549
359 4QMN DB8 0.00000002952 0.47597 45.1613
360 4C2V YJA 0.0000002005 0.63467 45.2632
361 3GGF GVD 0.00000007942 0.6123 45.5149
362 2HK5 1BM 0.0000003781 0.6017 45.5556
363 4AU8 Z3R 0.00000002054 0.67876 45.6081
364 1PHK ATP 0.00000008699 0.62731 45.6376
365 4WNP 3RJ 0.000000001846 0.71656 45.6446
366 4USF 6UI 0.00001191 0.54126 45.7237
367 5EW9 5VC 0.000001872 0.65583 45.7565
368 3DAK ANP 0.00000005254 0.61751 45.8621
369 2WEI VGG 0.0000004363 0.57813 45.993
370 1V0O INR 0.00000000699 0.67642 46.1806
371 1UNH IXM 0.0000000003993 0.69177 46.2329
372 3O0G 3O0 0.00000002591 0.64376 46.2329
373 4C2W ANP 0.000000006644 0.62894 46.2366
374 4DC2 ADE 0.0000000238 0.53758 46.4912
375 3E5A VX6 0.000000261 0.51915 46.6418
376 2WQN ADP 0.0000003102 0.61325 46.7742
377 2VZ6 FEF 0.000001019 0.58926 46.9649
378 5EYK 5U5 0.0000002822 0.50427 47.1014
379 2YAK OSV 0.00000002567 0.67655 47.3684
380 4A4X JUP 0.00000002229 0.67187 47.6702
381 5A6N U7E 0.0000001507 0.61661 48.0565
Pocket No.: 2; Query (leader) PDB : 3HMO; Ligand: STU; 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: 3hmo.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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