Receptor
PDB id Resolution Class Description Source Keywords
4WOP 2.39 Å EC: 6.3.3.3 NUCLEOTIDE TRIPHOSPHATE PROMISCUITY IN MYCOBACTERIUM TUBERCU DETHIOBIOTIN SYNTHETASE MYCOBACTERIUM TUBERCULOSIS BIOTIN PROTEIN LIGASE LIGASE
Ref.: NUCLEOTIDE TRIPHOSPHATE PROMISCUITY IN MYCOBACTERIU TUBERCULOSIS DETHIOBIOTIN SYNTHETASE. TUBERCULOSIS (EDINB) V. 95 259 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:301;
A:302;
C:302;
D:302;
B:302;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
CTP D:301;
A:301;
C:301;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 17.2 uM
483.156 C9 H16 N3 O14 P3 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WOP 2.39 Å EC: 6.3.3.3 NUCLEOTIDE TRIPHOSPHATE PROMISCUITY IN MYCOBACTERIUM TUBERCU DETHIOBIOTIN SYNTHETASE MYCOBACTERIUM TUBERCULOSIS BIOTIN PROTEIN LIGASE LIGASE
Ref.: NUCLEOTIDE TRIPHOSPHATE PROMISCUITY IN MYCOBACTERIU TUBERCULOSIS DETHIOBIOTIN SYNTHETASE. TUBERCULOSIS (EDINB) V. 95 259 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4WOP Kd = 17.2 uM CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4WOP Kd = 17.2 uM CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
2 3FPA - DTB C10 H18 N2 O3 C[C@H]1[C@....
3 3FMI - KAP C9 H17 N O3 C[C@@H](C(....
4 3FMF - DSD C10 H20 N2 O4 C[C@@H]([C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4WOP Kd = 17.2 uM CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
2 3FPA - DTB C10 H18 N2 O3 C[C@H]1[C@....
3 3FMI - KAP C9 H17 N O3 C[C@@H](C(....
4 3FMF - DSD C10 H20 N2 O4 C[C@@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CTP; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 CTP 1 1
2 CDP 0.895522 1
3 CAR 0.753623 0.985507
4 C 0.753623 0.985507
5 C5P 0.753623 0.985507
6 7XL 0.74026 0.944444
7 C2G 0.734177 0.957747
8 C5G 0.702381 0.944444
9 CDM 0.690476 0.894737
10 CDC 0.678571 0.82716
11 CXY 0.674419 0.944444
12 CDP MG 0.662338 0.90411
13 UTP 0.620253 0.942029
14 1AA 0.617021 0.906667
15 DCP 0.609756 0.90411
16 CTN 0.608696 0.857143
17 AR3 0.608696 0.857143
18 91P 0.582524 0.851852
19 I5A 0.577465 0.816901
20 C C 0.568182 0.929577
21 UDP 0.54321 0.942029
22 2AA 0.542056 0.693878
23 MCN 0.542056 0.819277
24 C3P 0.538462 0.942857
25 YYY 0.52381 0.90411
26 PMT 0.52381 0.85
27 GCQ 0.523256 0.90411
28 CSQ 0.520408 0.905405
29 CSV 0.520408 0.905405
30 16B 0.518519 0.917808
31 PCD 0.517544 0.781609
32 C2P 0.5 0.957143
33 GPC 0.495575 0.819277
34 FN5 0.495413 0.871795
35 CSF 0.491071 0.871795
36 DKZ 0.481013 0.746667
37 8GT 0.473118 0.907895
38 UNP 0.47191 0.915493
39 TKW 0.46988 0.971429
40 H6Y 0.463158 0.855263
41 5HM 0.458824 0.958333
42 G C 0.45614 0.8375
43 MGT 0.453608 0.829268
44 UDH 0.452632 0.844156
45 UPP 0.452632 0.888889
46 UFM 0.447917 0.888889
47 GDU 0.447917 0.888889
48 GUD 0.447917 0.888889
49 UPG 0.447917 0.888889
50 DCM 0.447059 0.890411
51 DC 0.447059 0.890411
52 UFG 0.434343 0.842105
53 U2F 0.434343 0.842105
54 UPF 0.434343 0.842105
55 U5P 0.433735 0.927536
56 URM 0.43299 0.876712
57 660 0.43299 0.876712
58 UP5 0.432432 0.857143
59 5GW 0.431579 0.890411
60 UPU 0.430108 0.887324
61 U A C C 0.428571 0.846154
62 C5P SIA 0.423729 0.893333
63 DOC 0.423529 0.890411
64 G3N 0.421569 0.890411
65 G G G C 0.421488 0.85
66 G8D 0.421053 0.907895
67 UDX 0.42 0.888889
68 UAD 0.42 0.888889
69 A G C C 0.418033 0.848101
70 2KH 0.417582 0.915493
71 3UC 0.417476 0.842105
72 4GW 0.415842 0.866667
73 UGA 0.411765 0.901408
74 V12 0.411765 0.75
75 UGB 0.411765 0.901408
76 USQ 0.411765 0.780488
77 CG2 0.410256 0.873418
78 GEO 0.407407 0.783784
79 G C C C 0.404762 0.860759
80 NVG 0.403846 0.731707
81 44P 0.402299 0.902778
82 8OD 0.402062 0.855263
83 A U C C 0.4 0.835443
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WOP; Ligand: CTP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4wop.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4WOP; Ligand: CTP; Similar sites found: 507
This union binding pocket(no: 2) in the query (biounit: 4wop.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Z0F GDP 0.00001459 0.54375 None
2 3EZ2 ADP 0.0000339 0.54089 None
3 5KSP GDP 0.00002317 0.53425 None
4 4YDS ATP 0.0001905 0.51061 None
5 4D0G GTP 0.0001209 0.47556 None
6 4U5X GNP 0.00007601 0.47531 None
7 1U8Z GDP 0.0004821 0.45199 None
8 1S8F GDP 0.00008853 0.43769 None
9 1XTQ GDP 0.0003941 0.43721 None
10 1YRB GDP 0.0005833 0.42711 None
11 4LPS GDP 0.0002687 0.42646 None
12 1FWV SGA MAG FUC 0.009797 0.42596 None
13 1Z08 GNP 0.002774 0.41946 None
14 1ZCB GDP 0.004142 0.41531 None
15 4GBM A3P 0.002183 0.40811 None
16 1L2T ATP 0.005778 0.40745 None
17 1MR3 G3D 0.001153 0.40544 None
18 2HF9 GSP 0.00001808 0.51741 0.888889
19 5L3W GDP 0.00005813 0.46261 0.980392
20 3BOS CDP 0.0006505 0.47128 1.33333
21 3B5J 12D 0.001148 0.47079 1.33333
22 1Z6T ADP 0.0002236 0.4489 1.33333
23 4Q1A UDP 0.01791 0.44723 1.33333
24 4Q1A 2XZ 0.01791 0.44723 1.33333
25 3PQC GDP 0.0001838 0.43883 1.33333
26 3COB ADP 0.00006115 0.40755 1.33333
27 2ZE7 DST 0.008535 0.40319 1.33333
28 4TTQ ATP 0.00009994 0.43345 1.39535
29 1D2N ANP 0.0004703 0.44838 1.47059
30 3CX8 GSP 0.00114 0.44445 1.47783
31 2O66 FLC 0.02371 0.4065 1.48148
32 1ZC3 GNP 0.0001102 0.48536 1.71429
33 4YLG GDP 0.001708 0.4145 1.7341
34 5WDR GNP 0.00005576 0.49822 1.75439
35 1G3Q ADP 0.000008447 0.55497 1.77778
36 1ION ADP 0.00009232 0.49976 1.77778
37 3IO3 ADP 0.003924 0.43625 1.77778
38 2ZPT A3P 0.01004 0.42578 1.77778
39 1SQL GUN 0.01642 0.41341 1.77778
40 2EFE GNH 0.001829 0.4093 1.77778
41 2QG6 NMN 0.0006884 0.40158 2.01005
42 1Z06 GNP 0.00001366 0.52048 2.1164
43 1ZJ6 G3D 0.0009051 0.459 2.13904
44 4R43 GDP 0.0004524 0.47892 2.22222
45 2NGR GDP 0.0004195 0.47479 2.22222
46 2Q2Y ADP 0.001618 0.45073 2.22222
47 2Q2Y MKR 0.001609 0.44971 2.22222
48 2B8W ALF 5GP 0.0006617 0.44798 2.22222
49 2XTN GTP 0.0009704 0.43899 2.22222
50 2NGR AF3 0.008166 0.42724 2.22222
51 2Z49 AMG 0.0125 0.42412 2.22222
52 4GOX A3P 0.003392 0.41572 2.22222
53 1W5T ANP 0.003142 0.41348 2.22222
54 1W5T ADP 0.002431 0.40741 2.22222
55 1W1A NDG 0.02766 0.4003 2.22222
56 3CNL GNP 0.0002903 0.4085 2.29008
57 3RAB GNP 0.00008562 0.4882 2.36686
58 1RYH GNP 0.00001723 0.47829 2.46305
59 1GRN GDP 0.0009194 0.42448 2.46305
60 2EW1 GNP 0.0000457 0.49577 2.48756
61 4AG5 ADP 0.00003131 0.55411 2.66667
62 2PL3 ADP 0.0001023 0.51706 2.66667
63 1JI0 ATP 0.0002746 0.5025 2.66667
64 2BME GNP 0.0000637 0.49375 2.66667
65 1NY5 ADP 0.0001613 0.47779 2.66667
66 1Z0K GTP 0.00005053 0.4717 2.66667
67 1WDT GTP 0.0001467 0.46311 2.66667
68 1XKV ATP 0.0009335 0.45336 2.66667
69 1G16 GDP 0.000655 0.44434 2.66667
70 3B7G ANP 0.0001166 0.44319 2.66667
71 4XGU ADP 0.001058 0.44173 2.66667
72 1KY3 GDP 0.0004914 0.43011 2.66667
73 5WRJ A3P 0.001835 0.42891 2.66667
74 5WRI A3P 0.00186 0.42505 2.66667
75 3EWA ANP 0.0004962 0.40978 2.66667
76 2OZE AGS 0.01691 0.40694 2.66667
77 2E2P ADP 0.009768 0.4062 2.66667
78 2KIN ADP 0.00002112 0.40333 2.66667
79 1FNN ADP 0.002294 0.41389 2.82776
80 3IUY AMP 0.0008692 0.41085 3.07018
81 1SVI GDP 0.0001171 0.51414 3.07692
82 4KBF AMP 0.00009514 0.51862 3.11111
83 3E70 GDP 0.0001246 0.49972 3.11111
84 5MZN ADP 0.0007209 0.48111 3.11111
85 3REF GDP 0.0001316 0.46328 3.11111
86 4YS0 ADP 0.0005996 0.45262 3.11111
87 1NJF AGS 0.0004475 0.45138 3.11111
88 2ODE ALF GDP 0.0007965 0.45128 3.11111
89 3DKP ADP 0.0000884 0.44247 3.11111
90 1NJF ADP 0.0005576 0.4414 3.11111
91 2QEN ADP 0.00189 0.41218 3.11111
92 3FVQ ATP 0.003695 0.41049 3.11111
93 4PX9 ADP 0.0005063 0.40862 3.11111
94 4H1V GNP 0.003036 0.40638 3.11111
95 1W6F ISZ 0.02056 0.40498 3.11111
96 1OE0 TTP 0.007884 0.40469 3.11111
97 3H86 AP5 0.01309 0.40395 3.125
98 2WJG GDP 0.0004705 0.40917 3.19149
99 2W2X GSP 0.00002773 0.50036 3.22581
100 4DKX GDP 0.0005517 0.47475 3.24074
101 2Y8E GNP 0.0001196 0.44293 3.35196
102 1VG8 GNP 0.00003977 0.5046 3.38164
103 1GWN GTP 0.00007629 0.48178 3.41463
104 2FFQ GSP 0.0001216 0.48351 3.50877
105 4BAS GNP 0.0005204 0.44859 3.51759
106 1YZQ GNP 0.0001224 0.43571 3.52941
107 1LVG ADP 0.000125 0.51995 3.53535
108 2CHG ANP 0.0004349 0.43831 3.53982
109 2CBZ ATP 0.000006653 0.60471 3.55556
110 1V8K ANP 0.00007374 0.51709 3.55556
111 5SZH GNP 0.00003448 0.50729 3.55556
112 1YQT ADP 0.0003286 0.50262 3.55556
113 4PPF FLC 0.0003307 0.50143 3.55556
114 4QM7 GTP 0.0001762 0.49876 3.55556
115 1OIV GDP 0.00007436 0.49085 3.55556
116 4C4P GNP 0.000094 0.48836 3.55556
117 2BEK ATP 0.0003771 0.47708 3.55556
118 3NKV GNP 0.00002275 0.46934 3.55556
119 4TMZ GSP 0.0002475 0.46438 3.55556
120 5FTB ANP 0.0007654 0.45734 3.55556
121 3ZFD ANP 0.00007274 0.45706 3.55556
122 4NCN GTP 0.00013 0.45619 3.55556
123 5JCZ GDP 0.0004518 0.45347 3.55556
124 1M7G ADX 0.001358 0.44406 3.55556
125 1H65 GDP 0.000579 0.43833 3.55556
126 2F9L GDP 0.0005513 0.43128 3.55556
127 1M7G AV2 0.00006448 0.43059 3.55556
128 1QF5 GDP 0.03119 0.42459 3.55556
129 1QF5 RPL 0.03119 0.42459 3.55556
130 1M7G ADP 0.004526 0.41814 3.55556
131 5XDR ADP 0.006919 0.41719 3.55556
132 5FHD ADP ALF 0.003218 0.41304 3.55556
133 3FYH ADP 0.004898 0.41055 3.55556
134 2GDJ ANP 0.0006546 0.40623 3.55556
135 1QHG ATP 0.002191 0.40524 3.55556
136 1GOJ ADP 0.00002219 0.40407 3.55556
137 4FRZ ADP 0.0001581 0.40318 3.55556
138 4UP4 NAG 0.01922 0.40309 3.55556
139 4UP4 NDG 0.01922 0.40309 3.55556
140 1KK1 GNP 0.0005238 0.40193 3.55556
141 2WJH GDP 0.0001508 0.43562 3.61446
142 2WJH FLC 0.000487 0.42242 3.61446
143 3CYI ATP 0.0266 0.4026 3.63636
144 1OIX GDP 0.000101 0.48509 3.66492
145 4TMK T5A 0.01298 0.40297 3.75587
146 2J0V GDP 0.0005048 0.41637 3.77358
147 1VG1 GDP 0.0002111 0.43135 3.78378
148 2RCN GDP 0.0001488 0.50232 4
149 4YC7 GNP 0.00005661 0.48957 4
150 5I0H ADP BEF 0.0002506 0.45994 4
151 1B7T ADP 0.001191 0.44848 4
152 3A1S GDP 0.0001207 0.43848 4
153 1OYY AGS 0.003546 0.43558 4
154 1KK8 BEF ADP 0.00154 0.43453 4
155 1KO8 6PG 0.001835 0.42718 4
156 2GWH A3P 0.003239 0.42027 4
157 3I0O ADP 0.009295 0.41524 4
158 3CV2 OXL 0.0139 0.41433 4
159 2AWN ADP 0.000003361 0.41126 4
160 2HV8 GTP 0.0001263 0.4809 4.06977
161 3MJH GTP 0.00004351 0.45874 4.16667
162 2D7C GTP 0.00008022 0.48942 4.19162
163 3Q72 GNP 0.00004718 0.43531 4.21687
164 1M7B GTP 0.00005894 0.48652 4.34783
165 3W5J GDP 0.00008428 0.54103 4.44444
166 2PZE ATP 0.00008941 0.53737 4.44444
167 1F9V ADP 0.00009736 0.53021 4.44444
168 1JJ7 ADP 0.0001319 0.52931 4.44444
169 4WZ6 ATP 0.0001323 0.52251 4.44444
170 5LB3 ADP 0.00009717 0.51816 4.44444
171 3TKL GTP 0.00001985 0.5135 4.44444
172 1FZQ GDP 0.0006207 0.47227 4.44444
173 4LJ9 ACP 0.000926 0.46385 4.44444
174 4PJ3 ANP 0.0004584 0.46256 4.44444
175 1DAR GDP 0.001007 0.46208 4.44444
176 1R6B ADP 0.0009247 0.45856 4.44444
177 2GCN GDP 0.000397 0.45359 4.44444
178 3DEF GDP 0.0002971 0.44308 4.44444
179 4ZI2 GNP 0.0005685 0.43771 4.44444
180 2ZPA ADP 0.00112 0.42695 4.44444
181 2JLR ANP 0.004375 0.41833 4.44444
182 4QRH 0O2 0.002439 0.41814 4.44444
183 3BFX A3P 0.004026 0.41242 4.44444
184 5IFS ADP 0.0009067 0.41211 4.44444
185 1P72 ADP 0.007632 0.41208 4.44444
186 1X8J A3P 0.02141 0.40036 4.44444
187 1YZG GDP 0.001092 0.45515 4.46927
188 1EK0 GNP 0.00008072 0.44904 4.70588
189 1XX6 ADP 0.003732 0.44923 4.71204
190 3Q85 GNP 0.00007815 0.4374 4.73373
191 1KAO GDP 0.001083 0.44129 4.79042
192 3LRE ADP 0.00004044 0.54964 4.88889
193 1SQ5 ADP 0.00001142 0.54878 4.88889
194 2OBM ADP 0.00006829 0.54594 4.88889
195 1Z0A GDP 0.00001847 0.53201 4.88889
196 4ZG4 VO4 ADP 0.00004575 0.49575 4.88889
197 3X1Z GNP 0.00007224 0.49521 4.88889
198 4HDQ GNP 0.0000689 0.49423 4.88889
199 2A5J GDP 0.0001481 0.49028 4.88889
200 3GJ0 GDP 0.0005954 0.47314 4.88889
201 3GJX GTP 0.0002224 0.47211 4.88889
202 4QOS ADP 0.000503 0.46576 4.88889
203 5J1J ANP 0.0000852 0.46404 4.88889
204 3VMF GTP 0.0003621 0.46111 4.88889
205 2FH5 GTP 0.0002469 0.46021 4.88889
206 4HDO GNP 0.00006167 0.44555 4.88889
207 1GUA GNP 0.00006443 0.44453 4.88889
208 2C04 GCP 0.0004749 0.43959 4.88889
209 4HSE ADP 0.0002134 0.42793 4.88889
210 4OI4 ATP 0.00213 0.42437 4.88889
211 1YTM ATP 0.002269 0.41946 4.88889
212 4IDN GNP 0.001622 0.41859 4.88889
213 1R0X ATP 0.0002061 0.4138 4.88889
214 1UKZ ADP 0.009436 0.40918 4.88889
215 3GJ4 GDP 0.0006845 0.40625 4.88889
216 5BXQ GDP 0.00105 0.40569 4.88889
217 1WA5 GTP 0.0002118 0.40493 4.88889
218 1D5C GDP 0.0009718 0.44336 4.93827
219 3KTA AP5 0.001483 0.41119 4.94506
220 1DS6 GDP 0.0004285 0.41298 5
221 4MKF AP5 0.005919 0.42604 5.06912
222 2GJ8 ALF GDP 0.0002317 0.42538 5.23256
223 4R2I ANP 0.002466 0.45383 5.2381
224 5BQ5 ADP BEF 0.001174 0.44876 5.29101
225 1QHH ATP 0.002114 0.44158 5.32544
226 2DPY ADP 0.00006718 0.5337 5.33333
227 3TBK ANP 0.0001945 0.51015 5.33333
228 5L3V GDP 0.00007703 0.50339 5.33333
229 2QN6 GDP 0.0004404 0.48555 5.33333
230 1UPT GTP 0.00006025 0.47739 5.33333
231 4RD0 GDP 0.000118 0.47601 5.33333
232 4DCT GDP 0.0003956 0.476 5.33333
233 3SFV GDP 0.0001493 0.46945 5.33333
234 2QZ4 ADP 0.0005713 0.46321 5.33333
235 4PFO ADP 0.0003848 0.45997 5.33333
236 3DOE GTP 0.0001057 0.45942 5.33333
237 3SBD GNP 0.00005977 0.45308 5.33333
238 2ZFI ADP 0.00004811 0.44749 5.33333
239 3RWO GDP 0.0009126 0.44375 5.33333
240 2VB6 ADP BEF 0.0009754 0.43889 5.33333
241 2IS6 ADP 0.00006557 0.43805 5.33333
242 3ZQ6 ADP ALF 0.0001633 0.42967 5.33333
243 2VF7 ADP 0.004607 0.42556 5.33333
244 5H56 ADP 0.003364 0.42523 5.33333
245 5H56 TYD 0.003364 0.42523 5.33333
246 3TK1 GDP 0.00006163 0.42478 5.33333
247 2OM2 GDP 0.001836 0.42335 5.33333
248 2D7D ADP 0.0003642 0.41869 5.33333
249 4A4Z ANP 0.00852 0.41708 5.33333
250 1FQK ALF 0.0179 0.41234 5.33333
251 1SVK ALF GDP 0.0002054 0.41112 5.33333
252 3NDJ SAH 0.02487 0.4033 5.33333
253 3NDJ JHZ 0.02487 0.4033 5.33333
254 2A9K GDP 0.001027 0.42297 5.34759
255 1ZIN AP5 0.004406 0.43088 5.52995
256 2VVG ADP 0.00001824 0.57288 5.77778
257 4LX0 BEF GDP 0.00003599 0.50648 5.77778
258 2FSH ANP 0.0001872 0.50401 5.77778
259 1A4R GNH 0.00004168 0.50372 5.77778
260 5JCP GDP ALF 0.00004536 0.50209 5.77778
261 4XSH GSP 0.00005607 0.49261 5.77778
262 4XOI GTP 0.00006753 0.49063 5.77778
263 1A4R GDP 0.0000636 0.49024 5.77778
264 1KMQ GNP 0.0000664 0.48883 5.77778
265 1IBR GNP 0.0002146 0.47279 5.77778
266 5KUT GDP 0.00003572 0.45984 5.77778
267 1TX4 ALF GDP 0.0001138 0.45799 5.77778
268 3UIE ANP 0.0002162 0.43823 5.77778
269 5E5U MLI 0.01431 0.43074 5.77778
270 1WF3 GNP 0.0001693 0.42971 5.77778
271 1OW3 GDP 0.0009884 0.42326 5.77778
272 4NU0 AP5 0.006552 0.42088 5.77778
273 3P4X ADP 0.0002498 0.41569 5.77778
274 5IRN ADP 0.001151 0.41467 5.77778
275 1VHT BA3 0.001762 0.40231 5.77778
276 4D81 ADP 0.002261 0.40221 5.77778
277 5G41 AP5 0.001782 0.45407 5.8296
278 5EE5 GTP 0.0002065 0.46567 5.84795
279 3GJ5 GDP 0.0008286 0.46082 5.88235
280 4KAX GTP 0.0002988 0.44884 5.91716
281 3H4S ADP 0.00002844 0.41386 5.92593
282 2W83 GTP 0.0001352 0.47562 6.06061
283 1R4A GNP 0.0000452 0.46631 6.06061
284 3PCR GTP 0.0001678 0.47161 6.17284
285 3N5C GDP 0.0004288 0.41304 6.17284
286 2XT3 ADP 0.0000894 0.53322 6.22222
287 2WKQ GTP 0.00006682 0.48871 6.22222
288 4OHY ANP 0.000052 0.46231 6.22222
289 4LHW GNP 0.0000459 0.45867 6.22222
290 1F5N GNP 0.0006479 0.45192 6.22222
291 3TNF GNP 0.0000343 0.44915 6.22222
292 1NRJ GTP 0.0004745 0.44821 6.22222
293 4XH0 ADP 0.00585 0.43782 6.22222
294 4IOK ADP 0.00694 0.43637 6.22222
295 4IOK XPO 0.007254 0.43092 6.22222
296 1OS1 PYR 0.004244 0.42077 6.22222
297 1OS1 ATP 0.003943 0.42077 6.22222
298 3QF7 ANP 0.004148 0.41186 6.22222
299 5U6C 7YS 0.004419 0.40904 6.22222
300 1NST A3P 0.005933 0.40864 6.22222
301 1N62 MCN 0.01538 0.40402 6.22222
302 5HVJ ANP 0.02724 0.40189 6.22222
303 1SKQ GDP 0.0005417 0.40155 6.22222
304 1I4D GDP 0.0003044 0.49352 6.25
305 4YMJ 4EJ 0.009732 0.42595 6.25
306 1G7C 5GP 0.01273 0.40859 6.38298
307 1TU3 GNP 0.00007802 0.48994 6.43275
308 1MH1 GNP 0.00001559 0.52227 6.45161
309 1R2Q GNP 0.0001446 0.49172 6.47059
310 1G4U GDP 0.001865 0.42687 6.52174
311 1CLU DBG 0.00001162 0.55126 6.66667
312 5KSZ GCP 0.00001134 0.54179 6.66667
313 4E03 ADP 0.000004816 0.49381 6.66667
314 3U6B GDP 0.0004474 0.48521 6.66667
315 4K81 GTP 0.000009455 0.46755 6.66667
316 1TQ4 GDP 0.00025 0.45998 6.66667
317 2C5L GTP 0.0000354 0.4539 6.66667
318 3T12 GDP ALF 0.0004863 0.44984 6.66667
319 2BVN GNP 0.0001608 0.44882 6.66667
320 1D2E GDP 0.00132 0.44183 6.66667
321 3VX3 ADP 0.0005904 0.43991 6.66667
322 2G77 GDP 0.0004114 0.43845 6.66667
323 2ZJ5 ADP 0.007541 0.43229 6.66667
324 1JWY GDP 0.0008095 0.42424 6.66667
325 4ZNL BEF ADP 0.0003426 0.42117 6.66667
326 1JWY ADP 0.0004089 0.41834 6.66667
327 3U6K GDP 0.0006364 0.4059 6.66667
328 5JBQ GDP 0.000651 0.40526 6.66667
329 4P3Y GDP 0.0004556 0.40428 6.66667
330 1D8T GDP 0.0007603 0.40363 6.66667
331 2HCJ GDP 0.0004814 0.40338 6.66667
332 4G5G GDP 0.0008445 0.40191 6.66667
333 2F5X ASP 0.03055 0.40099 6.66667
334 3T1O GDP 0.001921 0.40001 6.66667
335 5MVR ADP 0.0001792 0.42504 6.79012
336 1JJV ATP 0.00003522 0.55467 6.79612
337 1HE1 AF3 0.00826 0.42698 6.81818
338 1HE1 GDP 0.002124 0.42068 6.81818
339 5UFQ GNP 0.00004352 0.50091 7.11111
340 1E96 GTP 0.00006606 0.49307 7.11111
341 5UQW GDP 0.0003526 0.45975 7.11111
342 4BQS K2Q 0.0009523 0.45635 7.11111
343 4BQS ADP 0.0009523 0.45635 7.11111
344 5O2T GSP 0.00003596 0.45358 7.11111
345 5XCO GDP 0.0003227 0.43666 7.11111
346 2I4I AMP 0.001832 0.43121 7.11111
347 1BZL FAD 0.02936 0.42277 7.11111
348 4DSU GDP 0.0003549 0.42029 7.11111
349 2IXE ATP 0.005382 0.40539 7.11111
350 5FG3 GDP 0.0006067 0.40061 7.11111
351 2A5F GTP 0.0001017 0.45267 7.25389
352 5J1S ATP 0.002298 0.40118 7.31707
353 2W58 ADP 0.00000135 0.43412 7.42574
354 1ZD9 GDP 0.001249 0.42539 7.44681
355 5IRR GSP 0.00003294 0.48784 7.55556
356 3GJ7 GDP 0.0005204 0.47598 7.55556
357 1FP6 ADP 0.00004436 0.472 7.55556
358 5GOE GDP 0.0005808 0.46288 7.55556
359 4IEE AGS 0.002222 0.45061 7.55556
360 3CPJ GDP 0.0003585 0.43552 7.55556
361 2XAU ADP 0.008847 0.4082 7.55556
362 2J5V PCA 0.04092 0.40742 7.55556
363 5N69 ADP 0.0001398 0.48583 8
364 5HCN GCP 0.0003804 0.4768 8
365 4V03 ADP 0.0002148 0.44244 8
366 3BER AMP 0.0005121 0.41505 8
367 1HTW ADP 0.0006102 0.4144 8
368 2XTZ GSP 0.0007176 0.4141 8
369 3A4M ADP 0.0001309 0.41299 8
370 3IIJ ADP 0.000009234 0.5608 8.44444
371 2UZI GTP 0.00003665 0.50413 8.44444
372 3DDC GNP 0.00005054 0.50008 8.44444
373 5L3R GCP 0.00002151 0.47981 8.44444
374 1NVU GTP 0.000148 0.4798 8.44444
375 3WY9 GDP 0.0006808 0.47615 8.44444
376 2C78 GNP 0.0001942 0.4668 8.44444
377 3DC4 ADP 0.000004452 0.46079 8.44444
378 1LFD GNP 0.00005758 0.45391 8.44444
379 4GOJ GNP 0.0005202 0.4486 8.44444
380 1NVV GNP 0.00006111 0.44599 8.44444
381 5E95 GDP 0.0009066 0.44469 8.44444
382 3KUD GDP 0.001443 0.42778 8.44444
383 1WQ1 GDP 0.002396 0.42218 8.44444
384 2WPF WPF 0.03507 0.41964 8.44444
385 2WPF FAD 0.03851 0.41634 8.44444
386 2GK6 ADP 0.0001908 0.40935 8.44444
387 3WYA GDP 0.00078 0.40389 8.44444
388 3QBT GNP 0.00002096 0.47014 8.57143
389 2CJW GDP 0.0002269 0.49344 8.85417
390 3FWY ADP 0.0001109 0.46165 8.88889
391 1YZN GNP 0.00002698 0.45909 8.88889
392 2BCG GDP 0.0003727 0.45708 8.88889
393 1IHU AF3 0.0008035 0.4312 8.88889
394 1IHU ADP 0.0006536 0.42791 8.88889
395 5M7P ADP 0.001248 0.42428 8.88889
396 5CK5 GDP 0.0001726 0.42044 8.88889
397 4J0Q GDP 0.000585 0.40138 8.88889
398 1UAD GNP 0.00004938 0.49854 9.09091
399 2FJU GSP 0.00004708 0.49064 9.33333
400 2CK3 ADP 0.0001859 0.4697 9.33333
401 3EC1 GDP 0.0007859 0.4619 9.33333
402 2CK3 ANP 0.0001841 0.45937 9.33333
403 1W0J ADP BEF 0.000194 0.4584 9.33333
404 2C77 GNP 0.0003127 0.45587 9.33333
405 2V7Q ADP 0.00004507 0.44779 9.33333
406 4LC1 GDP 0.00007994 0.4387 9.33333
407 1W0J ADP 0.00148 0.40939 9.33333
408 2V7Q ATP 0.001174 0.40749 9.33333
409 1F6B GDP 0.001683 0.40092 9.33333
410 4CVN ADP 0.00003963 0.5454 9.48905
411 2X77 GDP 0.0006531 0.4657 9.52381
412 3BC1 GNP 0.00003978 0.5026 9.74359
413 3BFV ADP 0.00003192 0.53471 9.77778
414 3Q9L ATP 0.00005563 0.49819 9.77778
415 4ZKD GDP 0.0003282 0.46476 9.77778
416 3WXM GTP 0.000489 0.45547 9.77778
417 5TSH ANP 0.00002326 0.45374 9.77778
418 5VGR GDP 0.0008243 0.44652 9.77778
419 5TSH ADP 0.00004799 0.41904 9.77778
420 4L3L 5FI 0.007449 0.40997 9.77778
421 1NF3 GNP 0.00006951 0.45011 10.1562
422 4ITR GDP 0.001389 0.43241 10.2222
423 1Z2A GDP 0.00115 0.41927 10.2222
424 1YVD GNP 0.00004037 0.50232 10.6667
425 5L3S GNP 0.00006842 0.49038 10.6667
426 5TAR GDP 0.0001232 0.48831 10.6667
427 5K5Z ANP 0.0001078 0.48189 10.6667
428 1KSH GDP 0.0002785 0.458 10.6667
429 5TB5 GDP 0.0001023 0.45019 10.6667
430 4M9Q GNP 0.0004742 0.44094 10.6667
431 5DI3 GNP 0.0005898 0.43706 10.6667
432 5GJC ATP 0.0007763 0.40154 10.6667
433 3ZS9 ADP ALF 0.0003323 0.46453 11.1111
434 2WOJ ADP ALF 0.0002643 0.42508 11.1111
435 1Z83 AP5 0.007703 0.41313 11.1111
436 4WZA ACP 0.0001793 0.51298 11.5556
437 4WZA ADP 0.0002056 0.51015 11.5556
438 4PC3 GDP 0.0007726 0.45233 11.5556
439 3AQ4 GDP 0.001019 0.40659 11.9565
440 1PUJ GNP 0.00005683 0.50348 12
441 4HI0 GDP 0.0006271 0.44309 12
442 1Y63 ADP 0.0001137 0.43447 12
443 3ZIA ATP 0.0008658 0.40598 12
444 3ZIA ADP 0.001973 0.40532 12
445 3GJ3 GDP 0.0005929 0.47323 12.1212
446 2WIC GNP 0.00009684 0.44059 12.3596
447 1Z0J GTP 0.00005227 0.49944 12.4444
448 1CXZ GSP 0.00003448 0.49874 12.4444
449 2GCO GNP 0.00003753 0.48072 12.4444
450 4D0N GDP 0.0002245 0.42209 12.4444
451 3LXR GDP 0.0006371 0.41937 12.4444
452 5HPY GDP 0.001311 0.41835 12.4444
453 4YMU ATP 0.0005387 0.4812 12.8889
454 4XTR ATP 0.0004775 0.45217 12.8889
455 4XVU ATP 0.0005012 0.45127 12.8889
456 2FAH GDP 0.0009541 0.4482 12.8889
457 4XTR ADP 0.0005329 0.4402 12.8889
458 5KDO GDP 0.001904 0.42268 13.3333
459 1GOT GDP 0.003447 0.41363 13.3333
460 1OXV ANP 0.0003814 0.40861 13.3333
461 1GP2 GDP 0.002648 0.40405 13.3333
462 3DZD ADP 0.0005511 0.45896 13.7778
463 2QTV GNP 0.000504 0.42694 13.7778
464 1M2O GNP 0.0003551 0.42526 13.7778
465 3KJI ADP 0.01025 0.41309 13.7778
466 1S9D GDP 0.001433 0.44957 14.0244
467 1RE0 GDP 0.0006056 0.40099 14.0244
468 1MKY GDP 0.0004156 0.48071 14.2222
469 4LYA ATP 0.0003808 0.47678 14.2222
470 4B47 GDP 0.0008932 0.47029 14.2222
471 4RZ3 ADP 0.0003146 0.4457 14.2222
472 2IYL GDP 0.0001001 0.43173 14.2222
473 1O3Y GTP 0.00009839 0.48152 14.4578
474 2J59 GTP 0.000118 0.47815 14.4578
475 1J2J GTP 0.0001153 0.45827 14.4578
476 1IN4 ADP 0.0005703 0.43916 14.6667
477 4KVG GTP 0.00003246 0.46229 15.1111
478 1VG0 GDP 0.0004698 0.43137 15.1111
479 1VG9 GDP 0.0003563 0.42406 15.1111
480 3RLF ANP 0.002323 0.42276 17.3333
481 3T5G GDP 0.000899 0.41313 17.3333
482 3M1I GTP 0.0001473 0.47988 18.2222
483 5UWP GNP 0.0002129 0.47471 18.2222
484 4HAT GNP 0.0002206 0.47404 18.2222
485 5UWI GNP 0.0002028 0.47385 18.2222
486 5UWR GNP 0.0002041 0.47373 18.2222
487 5DI9 GNP 0.0002295 0.47328 18.2222
488 5UWU GNP 0.0002099 0.4732 18.2222
489 5UWT GNP 0.00021 0.47319 18.2222
490 5UWH GNP 0.0001886 0.42978 18.2222
491 5UWQ GNP 0.0001823 0.42977 18.2222
492 5DIF GNP 0.0001852 0.42946 18.2222
493 5DHF GNP 0.0001928 0.42895 18.2222
494 5UWJ GNP 0.0002011 0.42837 18.2222
495 5UWW GNP 0.0002037 0.4282 18.2222
496 5UWO GNP 0.0002234 0.42701 18.2222
497 5UWS GNP 0.0002145 0.4214 18.2222
498 3WYF GTP 0.0002377 0.42048 18.2222
499 3WYG GTP 0.000255 0.41865 18.2222
500 3GJ8 GDP 0.0008509 0.40865 18.4783
501 1IWE IMP 0.006786 0.45545 20
502 2HT6 GDP 0.00009889 0.51779 21.3333
503 4NON GDP 0.001621 0.43619 21.3333
504 4DID GDP 0.0005158 0.41672 21.7105
505 2OFW ADX 0.000973 0.45964 21.7778
506 1X6V ADP 0.001363 0.44104 21.7778
507 1G7S GDP 0.00199 0.44282 35.5556
Pocket No.: 3; Query (leader) PDB : 4WOP; Ligand: CTP; Similar sites found: 49
This union binding pocket(no: 3) in the query (biounit: 4wop.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Z5F A3P 0.002536 0.42902 None
2 2JAQ DCP 0.004197 0.42274 None
3 2GU8 796 0.04392 0.40324 0.888889
4 4U00 ADP 0.0001194 0.41166 1.33333
5 1ZY5 ANP 0.0025 0.42305 1.77778
6 2X7I CIT 0.001115 0.41948 1.77778
7 4OH4 ANP 0.00906 0.40025 1.77778
8 1BG2 ADP 0.00003053 0.42455 2.66667
9 4A4X JUP 0.009315 0.41153 2.66667
10 3AB3 GDP 0.003712 0.42155 3.11111
11 5MEX SZZ 0.01276 0.41733 3.11111
12 5MEX PAP 0.005473 0.41203 3.11111
13 5X40 ACP 0.007786 0.41046 3.11111
14 5H67 ATP 0.002224 0.41351 3.51759
15 5M04 GDP 0.0007996 0.41974 3.55556
16 1J99 AND 0.01037 0.41721 3.55556
17 3NHB ADP 0.0006016 0.41101 3.55556
18 3W8X FAD 0.03716 0.40176 3.55556
19 2ZTS ADP 0.02884 0.40475 3.58566
20 5KMS FAD 0.02715 0.40039 4
21 2Y65 ADP 0.00008957 0.42409 4.44444
22 2CE7 ADP 0.0108 0.41976 4.44444
23 4FCW ADP 0.00177 0.41938 4.44444
24 1T5C ADP 0.00008401 0.41137 4.44444
25 4KQW NAP 0.01561 0.41097 4.44444
26 2WHX ADP 0.0003945 0.4079 4.44444
27 1VKJ A3P 0.008229 0.40591 4.44444
28 1T8U A3P 0.005445 0.41403 4.88889
29 5LTJ ADP 0.002786 0.40837 5.33333
30 4KFU ACP 0.0005459 0.40733 5.33333
31 5I34 GDP 0.0009358 0.42895 6.66667
32 1AQU A3P 0.004287 0.41478 6.66667
33 3MVH WFE 0.01504 0.40587 6.66667
34 1OFH ADP 0.04673 0.40319 6.66667
35 3FKQ ATP 0.008371 0.42927 8.88889
36 4JLV ADP 0.0004825 0.42872 9.33333
37 1FQJ GDP 0.004611 0.42087 9.52381
38 2FNA ADP 0.004431 0.41991 10.2222
39 5HR5 ADP 0.003776 0.41725 10.6667
40 5HR5 FLC 0.02028 0.40213 10.6667
41 2UUU FAD 0.04911 0.40142 11.1111
42 2UUU PL3 0.04911 0.40142 11.1111
43 5IRC GDP 0.001758 0.4231 12.4444
44 4R98 GNH 0.001659 0.41246 12.4444
45 3UCL CYH 0.04182 0.41115 14.2222
46 3UCL FAD 0.04182 0.41115 14.2222
47 3UCL NAP 0.04596 0.41065 14.2222
48 4YSX FAD 0.03557 0.40022 17.3333
49 3G5D 1N1 0.02233 0.41819 29.7778
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