Receptor
PDB id Resolution Class Description Source Keywords
3tmk 2 Å EC: 2.7.4.9 CRYSTAL STRUCTURE OF YEAST THYMIDYLATE KINASE COMPLEXED WITH THE BISUBSTRATE INHIBITOR TP5A AT 2.0 A RESOLUTION: I MPLICATIONS FOR CATALYSIS AND AZT ACTIVATION SACCHAROMYCES CEREVISIAE KINASE PHOSPHOTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF YEAST THYMIDYLATE KINASE COMPLEXED WITH THE BISUBSTRATE INHIBITOR P1-(5'-ADENOSYL) P5-(5'-THYMIDYL) PENTAPHOSPHATE (TP5A) AT 2.0 A RESOLUTION: IMPLICATIONS FOR CATALYSIS AND AZT ACTIVATION. BIOCHEMISTRY V. 37 3
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
T5A A:217;
B:217;
C:217;
D:217;
E:217;
F:217;
G:217;
H:217;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 135 nM
891.354 C20 H30 N7 O23 P5 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TMK 2 Å EC: 2.7.4.9 CRYSTAL STRUCTURE OF YEAST THYMIDYLATE KINASE COMPLEXED WITH THE BISUBSTRATE INHIBITOR TP5A AT 2.0 A RESOLUTION: I MPLICATIONS FOR CATALYSIS AND AZT ACTIVATION SACCHAROMYCES CEREVISIAE KINASE PHOSPHOTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF YEAST THYMIDYLATE KINASE COMPLEXED WITH THE BISUBSTRATE INHIBITOR P1-(5'-ADENOSYL) P5-(5'-THYMIDYL) PENTAPHOSPHATE (TP5A) AT 2.0 A RESOLUTION: IMPLICATIONS FOR CATALYSIS AND AZT ACTIVATION. BIOCHEMISTRY V. 37 3
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2TMK - ATM C10 H14 N5 O7 P CC1=CN(C(=....
2 3TMK Kd = 135 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
3 1TMK - TMP C10 H15 N2 O8 P CC1=CN(C(=....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2TMK - ATM C10 H14 N5 O7 P CC1=CN(C(=....
2 3TMK Kd = 135 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
3 1TMK - TMP C10 H15 N2 O8 P CC1=CN(C(=....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2YOH Ki = 11 uM WMJ C17 H19 N5 O7 CC1=CN(C(=....
2 2YOF Ki = 25 uM 74W C18 H18 Cl F3 N4 O4 S CC1=CN(C(=....
3 2WWF - TMP C10 H15 N2 O8 P CC1=CN(C(=....
4 2YOG Ki = 31 uM 74X C18 H18 Cl F3 N4 O4 S CC1=CN(C(=....
5 2V54 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
6 4QGF ic50 = 69 nM 32B C27 H30 Cl N3 O6 CC[C@H](c1....
7 4QG7 ic50 = 10 nM 32K C25 H26 Cl N3 O6 CC1=CN(C(=....
8 4QGH ic50 = 1 nM 32E C28 H31 Cl F N3 O5 CC1=CN(C(=....
9 4GFD Ki = 330 pM 0YB C29 H34 Br N3 O5 CC1=CN(C(=....
10 4GSY ic50 = 120 nM 0Y5 C25 H24 F3 N3 O5 CC1=CN(C(=....
11 4HLC ic50 = 174 nM T05 C24 H25 N3 O7 S Cc1cccc(c1....
12 4TMK Kd = 20 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
13 1E2Q - TMP C10 H15 N2 O8 P CC1=CN(C(=....
14 1E9C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
15 1NN0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 1E2G - TMP C10 H15 N2 O8 P CC1=CN(C(=....
17 1NN1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 1NMX - FDM C10 H14 F N2 O7 P CC1=CN(C(=....
19 1E2E - AF3 Al F3 F[Al](F)F
20 1NN5 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
21 1E9B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
22 1E2D - TMP C10 H15 N2 O8 P CC1=CN(C(=....
23 1E99 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
24 1NMY - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 2XX3 - TAE C9 H14 N2 O8 P2 CC1=CN(C(=....
26 1NMZ - NYM C10 H16 N3 O7 P CC1=CN(C(=....
27 1E9D - ATM C10 H14 N5 O7 P CC1=CN(C(=....
28 1NN3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1E9A - Z5A C20 H24 N10 O22 P5 CC1=CN(C(=....
30 1E9F - TMP C10 H15 N2 O8 P CC1=CN(C(=....
31 1E9E - TMP C10 H15 N2 O8 P CC1=CN(C(=....
32 1E98 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
33 1E2F - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
34 2TMK - ATM C10 H14 N5 O7 P CC1=CN(C(=....
35 3TMK Kd = 135 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
36 1TMK - TMP C10 H15 N2 O8 P CC1=CN(C(=....
37 3UWO ic50 = 20 uM 0DJ C14 H12 N4 O2 CN1c2cc(cn....
38 3UXM ic50 = 17 uM 0DN C10 H13 F N2 O4 CC1=CN(C(=....
39 5UIV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 5XB2 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
41 5XB3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
42 5XAI - TMP C10 H15 N2 O8 P CC1=CN(C(=....
43 5H56 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
44 5H5B - FLC C6 H5 O7 C(C(=O)[O-....
45 5H5K - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: T5A; Similar ligands found: 275
No: Ligand ECFP6 Tc MDL keys Tc
1 T5A 1 1
2 4TA 0.778761 0.963415
3 AP5 0.656566 0.864198
4 B4P 0.656566 0.864198
5 BA3 0.646465 0.864198
6 5FA 0.631068 0.841463
7 AQP 0.631068 0.841463
8 ATP 0.621359 0.841463
9 Z5A 0.615385 0.906977
10 TTP 0.61165 0.841463
11 A2D 0.61 0.864198
12 UP5 0.608333 0.91358
13 SAP 0.59434 0.802326
14 AGS 0.59434 0.802326
15 A4P 0.593496 0.842697
16 ADP 0.592233 0.841463
17 G5P 0.588235 0.825581
18 ANP 0.583333 0.821429
19 M33 0.580952 0.853659
20 G3A 0.579832 0.825581
21 AD9 0.579439 0.821429
22 TYD 0.572816 0.841463
23 AN2 0.571429 0.831325
24 139 0.571429 0.939024
25 GTA 0.570248 0.818182
26 AR6 0.570093 0.841463
27 APR 0.570093 0.841463
28 A1R 0.561404 0.879518
29 ACP 0.560748 0.843373
30 ACQ 0.554545 0.843373
31 DAU 0.551724 0.855422
32 CA0 0.551402 0.843373
33 ADX 0.551402 0.766667
34 ATF 0.544643 0.811765
35 PAX 0.544118 0.939759
36 PRX 0.541284 0.821429
37 OAD 0.538462 0.865854
38 25L 0.537815 0.853659
39 5AL 0.535714 0.853659
40 4TC 0.535433 0.914634
41 ADQ 0.534483 0.843373
42 A 0.533981 0.817073
43 AMP 0.533981 0.817073
44 PR8 0.533898 0.848837
45 ABM 0.533333 0.819277
46 50T 0.53211 0.809524
47 6V0 0.531746 0.914634
48 A22 0.530435 0.853659
49 3R2 0.529915 0.845238
50 1ZZ 0.529412 0.818182
51 3OD 0.529412 0.865854
52 TAT 0.526786 0.811765
53 ADS THS THS THS 0.526316 0.873563
54 8QN 0.525862 0.853659
55 5SV 0.525862 0.804598
56 TMP 0.524272 0.829268
57 TLO 0.521739 0.865854
58 T3F 0.521008 0.879518
59 T3Q 0.521008 0.879518
60 NAX 0.519685 0.939024
61 1JB 0.516949 0.855422
62 TRH 0.516949 0.855422
63 TDX 0.516949 0.865854
64 18T 0.516949 0.855422
65 00A 0.516949 0.813953
66 0N2 0.516667 0.869048
67 TXE 0.515625 0.902439
68 APC 0.513514 0.855422
69 SRP 0.513043 0.855422
70 OOB 0.512821 0.853659
71 0FX 0.512397 0.879518
72 AP0 0.511628 0.914634
73 AMP MG 0.509434 0.776471
74 AP2 0.509259 0.855422
75 A12 0.509259 0.855422
76 4AD 0.508475 0.86747
77 PAJ 0.508475 0.816092
78 3YN 0.508333 0.833333
79 DWN 0.508333 0.857143
80 NAI 0.507812 0.925926
81 TXD 0.507812 0.879518
82 DLL 0.504202 0.853659
83 T46 0.504132 0.855422
84 BIS 0.504132 0.793103
85 OMR 0.503876 0.829545
86 SRA 0.5 0.77907
87 UPA 0.5 0.902439
88 AKM 0.5 0.83908
89 MMF 0.5 0.857143
90 3UK 0.5 0.843373
91 CNA 0.496241 0.878049
92 DND 0.496124 0.855422
93 NXX 0.496124 0.855422
94 4TG 0.496 0.86747
95 9SN 0.495935 0.804598
96 LAD 0.495868 0.837209
97 WAQ 0.495868 0.857143
98 AMO 0.495798 0.878049
99 ADP MG 0.495495 0.788235
100 AU1 0.495495 0.821429
101 QDM 0.491935 0.825581
102 FYA 0.491803 0.876543
103 PTJ 0.491803 0.804598
104 NB8 0.491803 0.847059
105 ME8 0.491803 0.818182
106 TXA 0.491803 0.855422
107 AHX 0.491667 0.847059
108 MAP 0.491525 0.802326
109 BEF ADP 0.491071 0.770115
110 ADP BEF 0.491071 0.770115
111 ADJ 0.488722 0.894118
112 48N 0.488372 0.847059
113 4UU 0.488189 0.890244
114 1YF 0.488 0.86747
115 JHZ 0.488 0.837209
116 XAH 0.488 0.818182
117 FNF 0.488 0.86747
118 25A 0.487395 0.841463
119 DTP 0.486957 0.853659
120 DA DT DA DA 0.485915 0.927711
121 4UW 0.484615 0.880952
122 4UV 0.484127 0.890244
123 ADP PO3 0.482456 0.817073
124 RBY 0.482456 0.855422
125 ADV 0.482456 0.855422
126 TYM 0.480916 0.878049
127 FA5 0.48 0.878049
128 YAP 0.48 0.86747
129 ADP ALF 0.478632 0.761364
130 ALF ADP 0.478632 0.761364
131 ATP MG 0.478261 0.788235
132 AFH 0.476562 0.816092
133 GAP 0.474138 0.8
134 SON 0.473214 0.855422
135 LAQ 0.469231 0.797753
136 7D4 0.469027 0.788235
137 ITT 0.469027 0.795181
138 DAL AMP 0.466667 0.831325
139 EAD 0.465278 0.939024
140 5AS 0.464286 0.726316
141 MYR AMP 0.464 0.797753
142 BT5 0.463768 0.831461
143 VO4 ADP 0.462185 0.809524
144 ANP MG 0.462185 0.781609
145 ADP VO4 0.462185 0.809524
146 3AT 0.461538 0.841463
147 PUA 0.460993 0.926829
148 A3D 0.460432 0.865854
149 FDA 0.46 0.896552
150 FUH 0.458647 0.857143
151 QUH 0.458647 0.857143
152 6FA 0.456954 0.862069
153 PAP 0.456897 0.829268
154 NAD 0.456522 0.853659
155 YLP 0.454545 0.840909
156 P1H 0.452703 0.916667
157 DAT 0.452174 0.853659
158 ADP BMA 0.451613 0.821429
159 TBD 0.451327 0.811765
160 FAD 0.45098 0.872093
161 FAS 0.45098 0.872093
162 2A5 0.448276 0.821429
163 A A 0.448 0.819277
164 COD 0.446043 0.833333
165 BTX 0.446043 0.840909
166 YLB 0.444444 0.840909
167 NAQ 0.444444 0.825581
168 YLC 0.444444 0.860465
169 ATR 0.444444 0.817073
170 SFD 0.441558 0.757576
171 AOC 0.441441 0.73494
172 FNK 0.43949 0.88764
173 AVV 0.439024 0.847059
174 IOT 0.437956 0.811111
175 NAE 0.4375 0.845238
176 FAY 0.436709 0.882353
177 NAJ PZO 0.43662 0.869048
178 AHZ 0.43609 0.758242
179 ATY 0.435897 0.8
180 VMS 0.434426 0.734043
181 54H 0.434426 0.734043
182 A2R 0.434426 0.831325
183 ATP A A A 0.434109 0.829268
184 RFL 0.433962 0.842697
185 7D3 0.433628 0.788235
186 DZD 0.432624 0.880952
187 7MD 0.431818 0.83908
188 AYB 0.431655 0.831461
189 N0B 0.431507 0.862069
190 ZID 0.431507 0.843373
191 LLT 0.431373 0.756098
192 THM 0.431373 0.756098
193 TSB 0.430894 0.76087
194 TYR AMP 0.430769 0.833333
195 YLY 0.430556 0.831461
196 NA7 0.428571 0.878049
197 GP3 0.428571 0.825581
198 FB0 0.427632 0.826087
199 AMP DBH 0.427481 0.8
200 G A A A 0.425532 0.784091
201 0WD 0.425532 0.914634
202 YLA 0.42446 0.840909
203 7MC 0.423358 0.840909
204 TQP 0.422819 0.840909
205 7SG 0.422819 0.840909
206 52H 0.422764 0.726316
207 JB6 0.421875 0.835294
208 F2N 0.421687 0.897727
209 PPS 0.421488 0.747253
210 6AD 0.421488 0.795455
211 M24 0.42069 0.786517
212 A U 0.42029 0.86747
213 T5K 0.42 0.852273
214 T4K 0.42 0.852273
215 53H 0.419355 0.726316
216 NDC 0.418301 0.847059
217 UFP 0.418182 0.767442
218 A5A 0.418033 0.75
219 XYA 0.417476 0.731707
220 RAB 0.417476 0.731707
221 ADN 0.417476 0.731707
222 A3P 0.417391 0.817073
223 G5A 0.416667 0.744681
224 SSA 0.414634 0.763441
225 GTP 0.414634 0.802326
226 3AM 0.414414 0.783133
227 NPW 0.414286 0.927711
228 KAA 0.414062 0.739583
229 P5A 0.414062 0.75
230 DDS 0.413223 0.807229
231 MTA 0.412844 0.694118
232 U A G G 0.412587 0.793103
233 LPA AMP 0.411765 0.777778
234 NZQ 0.411348 0.926829
235 FA9 0.410714 0.883721
236 AR6 AR6 0.410448 0.819277
237 APU 0.410072 0.86747
238 0DN 0.409524 0.722892
239 5N5 0.409524 0.710843
240 ARU 0.409449 0.755556
241 128 0.408759 0.741935
242 NAD IBO 0.408451 0.823529
243 NJP 0.408451 0.845238
244 5CA 0.408 0.763441
245 DT DT PST 0.407692 0.790698
246 TAD 0.407407 0.837209
247 EP4 0.407407 0.678161
248 TPE 0.40625 0.823529
249 LEU LMS 0.40625 0.729167
250 DT DT DT DT DT 0.40625 0.821429
251 ALF ADP 3PG 0.405797 0.775281
252 AF3 ADP 3PG 0.405797 0.775281
253 LA8 ALF 3PG 0.405797 0.775281
254 A4D 0.40566 0.710843
255 5CD 0.40566 0.698795
256 3DH 0.405405 0.694118
257 NDE 0.405229 0.833333
258 AZD 0.404959 0.793103
259 ARG AMP 0.404412 0.769231
260 NDP 0.404255 0.914634
261 62F 0.403727 0.860465
262 M2T 0.40367 0.662921
263 GSU 0.403101 0.744681
264 AMP NAD 0.402685 0.833333
265 5HU 0.401786 0.819277
266 DUT 0.401709 0.804878
267 D3T 0.401709 0.819277
268 LSS 0.401575 0.747368
269 DSZ 0.401575 0.763441
270 NSS 0.401575 0.763441
271 RGT 0.401515 0.811765
272 TXP 0.401408 0.869048
273 P5F 0.401198 0.865169
274 7DT 0.4 0.829268
275 IMO 0.4 0.783133
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found: 285
This union binding pocket(no: 1) in the query (biounit: 3tmk.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QG6 NMN 0.00001163 0.49213 None
2 3PQC GDP 0.0004358 0.48164 None
3 1Z0K GTP 0.003161 0.41826 None
4 3B5J 12D 0.0001781 0.5257 0.925926
5 5IRR GSP 0.001204 0.4396 1.38889
6 5BQ5 ADP BEF 0.0002287 0.49501 1.5873
7 4MKF AP5 0.000001795 0.54825 2.31481
8 1G6O ADP 0.000466 0.48024 2.31481
9 1NHX PEP 0.002301 0.42483 2.31481
10 1NHX FTB 0.002436 0.42483 2.31481
11 2GMV PEP 0.001239 0.41457 2.31481
12 2GMV UN8 0.003891 0.4028 2.31481
13 1M7G ADX 0.0002018 0.45295 2.36967
14 1M7G ADP 0.0002057 0.44937 2.36967
15 1M7G AV2 0.00002176 0.40948 2.36967
16 2F9L GDP 0.003824 0.41477 2.51256
17 2WMO GTP 0.0007516 0.47033 2.63158
18 2WJG GDP 0.00007569 0.53075 2.65957
19 2AWN ADP 0.000006564 0.61988 2.77778
20 4MKG AP5 0.000001388 0.55121 2.77778
21 4J0Q GDP 0.0001117 0.5291 2.77778
22 3U6B GDP 0.0001178 0.52791 2.77778
23 3WYA GDP 0.0001539 0.51532 2.77778
24 4G5G GDP 0.0002314 0.50646 2.77778
25 3U6K GDP 0.0003586 0.49694 2.77778
26 4HSE ADP 0.0007284 0.47611 2.77778
27 2BVN GNP 0.0007452 0.46567 2.77778
28 4NU0 AP5 0.000006481 0.46015 2.77778
29 2C78 GNP 0.002309 0.42743 2.77778
30 4RW3 SHV 0.01365 0.42384 2.77778
31 3VX3 ADP 0.01018 0.40578 2.77778
32 1LPD ADE 0.02979 0.40059 2.77778
33 4TTQ ATP 0.000003855 0.43934 2.7907
34 2JAQ DCP 0.00001423 0.51729 2.92683
35 5E95 GDP 0.001209 0.45147 2.97619
36 1CLU DBG 0.003125 0.4184 3.01205
37 1LVG ADP 0.000003964 0.41371 3.0303
38 2WIC GNP 0.0000318 0.54256 3.24074
39 2IYL GDP 0.0002158 0.50798 3.24074
40 4IEE AGS 0.0004618 0.49748 3.24074
41 1Z6T ADP 0.0007625 0.46062 3.24074
42 4GOX A3P 0.00156 0.43121 3.24074
43 1GXU 2HP 0.0002788 0.52755 3.2967
44 1KO8 6PG 0.00001268 0.4502 3.42857
45 1GRN GDP 0.001569 0.44628 3.44828
46 2B4B B33 0.04303 0.40164 3.50877
47 2CJW GDP 0.00005228 0.53879 3.64583
48 2CBZ ATP 0.000008815 0.61558 3.7037
49 4B47 GDP 0.0001749 0.51911 3.7037
50 4QOS ADP 0.0002132 0.49646 3.7037
51 1V8K ANP 0.0005154 0.48906 3.7037
52 2GDJ ANP 0.0005904 0.48611 3.7037
53 3RC3 ANP 0.001324 0.47401 3.7037
54 1ZIN AP5 0.000001802 0.46547 3.7037
55 2OM2 GDP 0.0004327 0.46291 3.7037
56 1TQ4 GDP 0.0005954 0.45682 3.7037
57 4H1V GNP 0.001307 0.44992 3.7037
58 1SVK ALF GDP 0.001401 0.41876 3.7037
59 4TMZ GSP 0.003459 0.41661 3.7037
60 5HR5 FLC 0.002188 0.41402 3.7037
61 1I0B PEL 0.02579 0.41008 3.7037
62 1Y3A GDP 0.0007223 0.40459 3.7037
63 1MH1 GNP 0.001945 0.40395 3.76344
64 1M7B GTP 0.00236 0.43057 3.80435
65 1G4U GDP 0.00369 0.42558 3.80435
66 2W58 ADP 0.000003812 0.63818 3.9604
67 3NKV GNP 0.003562 0.41932 4
68 1Z08 GNP 0.007463 0.40248 4.11765
69 4YDS ATP 0.0002162 0.52128 4.16667
70 1ZUI SKM 0.00002533 0.4946 4.16667
71 2HF9 GSP 0.0001445 0.49365 4.16667
72 4LYA ATP 0.0006361 0.47898 4.16667
73 5JCZ GDP 0.002431 0.43371 4.16667
74 4NON GDP 0.001519 0.41883 4.16667
75 4OI4 ATP 0.005028 0.40974 4.16667
76 4X8O AP5 0.000003441 0.4358 4.20561
77 1GP2 GDP 0.0004346 0.45465 4.22535
78 1NRJ GTP 0.0002727 0.40903 4.43038
79 4HI0 GDP 0.0004236 0.46331 4.52261
80 4DID GDP 0.0006271 0.47928 4.60526
81 2DPY ADP 0.0007118 0.49405 4.62963
82 1JWY GDP 0.0002266 0.48982 4.62963
83 1W7J ADP BEF 0.0004697 0.47024 4.62963
84 1JWY ADP 0.001106 0.46725 4.62963
85 1K6M AGS 0.0002395 0.46556 4.62963
86 5JCP GDP ALF 0.001083 0.45365 4.62963
87 1E2K TMC 0.00002208 0.43706 4.62963
88 1UJ2 C5P 0.0004429 0.42793 4.62963
89 1UJ2 ADP 0.0005061 0.42564 4.62963
90 1KI6 AHU 0.01274 0.42346 4.62963
91 4OHY ANP 0.003641 0.41256 4.62963
92 4QM7 GTP 0.00002137 0.40611 4.62963
93 2B8W ALF 5GP 0.001196 0.40159 4.62963
94 1BO4 COA 0.004301 0.44292 4.7619
95 3MJH GTP 0.004223 0.40695 4.7619
96 4M9Q GNP 0.0008947 0.44515 4.84582
97 3LXR GDP 0.0008705 0.46728 4.86486
98 1TX4 ALF GDP 0.006908 0.4039 5.08475
99 3DZD ADP 0.001485 0.45168 5.09259
100 2CHG ANP 0.003548 0.43007 5.09259
101 2XTN GTP 0.002372 0.42353 5.09259
102 4BQS K2Q 0.00003411 0.48948 5.11364
103 4BQS ADP 0.00003411 0.44659 5.11364
104 1QF9 C5P 0.000001981 0.54014 5.15464
105 1QF9 ADP 0.000001981 0.54014 5.15464
106 1QF9 ALF 0.000001981 0.54014 5.15464
107 2GJ8 ALF GDP 0.003848 0.40574 5.23256
108 5KUT GDP 0.00003757 0.40607 5.29101
109 1ZD9 GDP 0.0002936 0.47483 5.31915
110 1U8Z GDP 0.003709 0.41533 5.35714
111 5DI3 GNP 0.001337 0.43764 5.40541
112 1UKZ ADP 0.000002346 0.532 5.41872
113 3LRE ADP 0.00004457 0.56779 5.55556
114 1S3G AP5 0.000001523 0.54958 5.55556
115 2OBM ADP 0.001014 0.49576 5.55556
116 1G7S GDP 0.0007359 0.47589 5.55556
117 1WDT GTP 0.0009577 0.45183 5.55556
118 2FNA ADP 0.0009827 0.4434 5.55556
119 3FKQ ATP 0.001995 0.44151 5.55556
120 3Q9L ATP 0.004397 0.4258 5.55556
121 2X7I CIT 0.01546 0.41499 5.55556
122 2QEN ADP 0.0001696 0.40424 5.55556
123 4PPF FLC 0.0000004529 0.69045 6.01852
124 3CNL GNP 0.00001289 0.57719 6.01852
125 4AG5 ADP 0.00008005 0.54963 6.01852
126 3NHB ADP 0.0001219 0.54 6.01852
127 5FTB ANP 0.0001664 0.50161 6.01852
128 1YRB GDP 0.0005874 0.47049 6.01852
129 2GK6 ADP 0.002492 0.4654 6.01852
130 5XDR ADP 0.001678 0.45839 6.01852
131 5FHD ADP ALF 0.0006988 0.45377 6.01852
132 3EZ2 ADP 0.004245 0.44803 6.01852
133 2ORV 4TA 0.0008649 0.43497 6.01852
134 2BCG GDP 0.002535 0.43289 6.01852
135 1F5N GNP 0.00208 0.41642 6.01852
136 2ZE7 DST 0.001277 0.41028 6.01852
137 1L2T ATP 0.004866 0.40733 6.01852
138 3KTA AP5 0.001268 0.45488 6.04396
139 3T12 GDP ALF 0.001049 0.44219 6.06061
140 3DOE GTP 0.0002036 0.42368 6.06061
141 3REF GDP 0.003535 0.41946 6.18557
142 3H86 AP5 0.0001054 0.46861 6.25
143 3W5J GDP 0.000001249 0.65785 6.37255
144 1JI0 ATP 0.00004401 0.55765 6.48148
145 4DKX GDP 0.00007409 0.53121 6.48148
146 1VHT BA3 0.0003731 0.48486 6.48148
147 4R43 GDP 0.001284 0.46922 6.48148
148 1X6V ADP 0.0001776 0.45183 6.48148
149 4A4Z ANP 0.004411 0.44237 6.48148
150 1IHU AF3 0.004213 0.41618 6.48148
151 1IHU ADP 0.005677 0.40751 6.48148
152 2QQ0 THM 0.000585 0.42606 6.52174
153 2QQ0 ANP 0.0006877 0.41283 6.52174
154 2QQ0 TMP 0.0007766 0.411 6.52174
155 2G77 GDP 0.001143 0.45258 6.56566
156 1Z83 AP5 0.000027 0.45959 6.63265
157 1W4R TTP 0.0002537 0.44931 6.66667
158 1HE1 GDP 0.004643 0.41765 6.66667
159 3BER AMP 0.01398 0.41719 6.82731
160 1Z06 GNP 0.001255 0.43173 6.87831
161 1G6H ADP 0.000006011 0.61986 6.94444
162 5G41 AP5 0.0000004604 0.57823 6.94444
163 1SQ5 ADP 0.00003812 0.53871 6.94444
164 4LPS GDP 0.00005154 0.53231 6.94444
165 4XGU ADP 0.0007657 0.46054 6.94444
166 3B7G ANP 0.001798 0.45692 6.94444
167 2C04 GCP 0.00418 0.42681 6.94444
168 4NE2 ADP 0.0008293 0.40187 6.94444
169 3A1S GDP 0.00008531 0.52162 7.36434
170 2X77 GDP 0.00001953 0.5529 7.40741
171 2ZTS ADP 0.001896 0.43854 7.40741
172 3KUD GDP 0.004855 0.4168 7.40741
173 3BD9 A3P 0.01595 0.41045 7.40741
174 1WQ1 AF3 0.0455 0.40413 7.40741
175 5TAR GDP 0.00027 0.48627 7.43243
176 1ZJ6 G3D 0.00005725 0.53008 7.48663
177 3AQ4 GDP 0.00004867 0.53353 7.6087
178 3IIJ ADP 0.000009648 0.418 7.77778
179 2A5J GDP 0.0006035 0.47488 7.8534
180 4DCT GDP 0.0001871 0.50495 7.87037
181 1G41 ADP 0.0004775 0.47974 7.87037
182 2ZFI ADP 0.001155 0.47152 7.87037
183 3TKL GTP 0.006193 0.40299 7.87037
184 4YS0 ADP 0.01521 0.40106 7.87037
185 2A5F GTP 0.0001498 0.43406 8
186 3PCR GTP 0.00046 0.4536 8.02469
187 4BAS GNP 0.0003066 0.41297 8.0402
188 2RGX AP5 0.000001477 0.55318 8.25243
189 3FB4 AP5 0.000003613 0.53449 8.33333
190 1RRC ADP 0.000001174 0.40027 8.33333
191 1YZG GDP 0.00004571 0.40111 8.37989
192 1O3Y GTP 0.0001527 0.47381 8.43373
193 1J2J GTP 0.0001883 0.46997 8.43373
194 2J59 GTP 0.0001979 0.46906 8.43373
195 1R4A GNP 0.0002429 0.42623 8.48485
196 1S9D GDP 0.00006406 0.5277 8.53659
197 3N5C GDP 0.00005673 0.53701 8.64198
198 1UPT GTP 0.0001951 0.41878 8.77193
199 1TU3 GNP 0.001649 0.41027 8.77193
200 2BIF SIN 0.0007494 0.44465 8.7963
201 2BIF ANP 0.0005878 0.43778 8.7963
202 1W5T ADP 0.01294 0.40428 8.7963
203 1W5T ANP 0.009636 0.40369 8.7963
204 3BFX A3P 0.01304 0.40094 8.7963
205 1R2Q GNP 0.002726 0.41286 8.82353
206 3B9Q MLI 0.0003014 0.51858 9.25926
207 3DEF GDP 0.0004714 0.47496 9.25926
208 1OE0 TTP 0.00002747 0.47296 9.25926
209 1G3Q ADP 0.001237 0.46487 9.25926
210 2C9O ADP 0.002462 0.42976 9.25926
211 5L3R GCP 0.002038 0.42301 9.25926
212 1D2N ANP 0.003805 0.42145 9.25926
213 4WZ6 ATP 0.00008889 0.54736 9.72222
214 4LC1 GDP 0.00009035 0.5269 9.72222
215 4Q1A 2XZ 0.0002021 0.5216 9.72222
216 4Q1A UDP 0.0002021 0.5216 9.72222
217 1FP6 ADP 0.000937 0.46102 9.72222
218 1B0U ATP 0.001708 0.44883 9.72222
219 1YTM ATP 0.0009252 0.44842 9.72222
220 1FNN ADP 0.002496 0.43319 9.72222
221 1ZCB GDP 0.0005689 0.41822 9.72222
222 2WKQ GTP 0.005709 0.40741 9.72222
223 4LHW GNP 0.00615 0.40311 9.77011
224 2OFW ADX 0.00004794 0.48795 10.0962
225 2ZR9 DTP 0.00007358 0.53136 10.1852
226 3BFV ADP 0.0006853 0.48287 10.1852
227 1GOJ ADP 0.00003818 0.57274 10.6481
228 1P72 ADP 0.00003304 0.46227 10.6481
229 1P72 THM 0.01463 0.42481 10.6481
230 3FVQ ATP 0.004505 0.41823 10.6481
231 2QTV GNP 0.001222 0.40257 10.7784
232 5KDO GDP 0.0002442 0.47381 10.8108
233 1GOT GDP 0.0006124 0.4028 10.9589
234 1JJ7 ADP 0.000006415 0.61745 11.1111
235 2OG2 MLI 0.00005402 0.56177 11.1111
236 1SKQ GDP 0.0001312 0.52552 11.1111
237 3QXC ATP 0.0008328 0.43229 11.157
238 4YLG GDP 0.0002158 0.40022 11.5607
239 5GOE GDP 0.0002592 0.49241 11.5741
240 5VGR GDP 0.000423 0.47232 11.5741
241 4GBM A3P 0.004928 0.41011 11.5741
242 2V7Q ATP 0.0001545 0.50314 11.6438
243 2V7Q ADP 0.001194 0.4708 11.6438
244 2CK3 ANP 0.005982 0.41616 11.6438
245 2CK3 ADP 0.006851 0.40405 11.6438
246 2FH5 GTP 0.001103 0.44508 11.6822
247 2PEZ GGZ 0.00006235 0.47445 11.7318
248 2PEZ DAT 0.00006235 0.47445 11.7318
249 3GJ7 GDP 0.0001902 0.51072 12.037
250 3GJ0 GDP 0.0002089 0.50869 12.037
251 3GJ8 GDP 0.0002953 0.49527 12.037
252 4WZA ACP 0.007208 0.41684 12.037
253 4WZA ADP 0.007208 0.41684 12.037
254 1OS1 PYR 0.002745 0.40743 12.5
255 1OS1 ATP 0.003398 0.40241 12.5
256 4IDN GNP 0.001535 0.43506 13.4259
257 4BFW ZVW 0.00007108 0.41361 13.4259
258 4K81 GTP 0.002433 0.40386 13.4259
259 3FYH ADP 0.006471 0.40219 13.4259
260 1B7T ADP 0.003635 0.43761 14.7436
261 1KK8 BEF ADP 0.005354 0.42188 15.1079
262 2XT3 ADP 0.00004875 0.56453 15.2778
263 1FQJ GDP 0.002664 0.4214 15.2778
264 1FQK GDP 0.003104 0.4186 15.2778
265 1FQK ALF 0.04291 0.40332 15.2778
266 1FQJ ALF 0.04832 0.40034 15.2778
267 4V0K GDP 0.0006436 0.44374 15.3846
268 1Z2A GDP 0.002533 0.42233 15.4762
269 1I4D GDP 0.0004243 0.49937 15.7407
270 2PL3 ADP 0.0007787 0.48584 16.6667
271 4P4T GDP 0.0002439 0.47843 17.1296
272 1AKY AP5 0.000002122 0.47225 17.1296
273 1G7C 5GP 0.007325 0.43132 17.1296
274 1QHH ATP 0.004522 0.43732 17.1598
275 2W83 GTP 0.0002174 0.46733 18.1818
276 4CVN ADP 0.00001146 0.5884 18.3246
277 1YVD GNP 0.005712 0.4016 18.3432
278 4G86 BNT 0.03047 0.41199 18.5185
279 2Y8E GNP 0.003181 0.41196 19.5531
280 3RLF ANP 0.004508 0.41175 20.8333
281 1Y63 ADP 0.00002286 0.55676 22.8261
282 2NCD ADP 0.00001639 0.58586 25.9259
283 2QN6 GDP 0.00007937 0.5367 26.8817
284 5F7Y GLC GAL NAG GAL FUC A2G 0.007292 0.42715 31.4815
285 3WY9 GDP 0.0002602 0.51026 34.375
Pocket No.: 2; Query (leader) PDB : 3TMK; Ligand: T5A; 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: 3tmk.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found: 9
This union binding pocket(no: 3) in the query (biounit: 3tmk.bio3) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2DTJ THR 0.01104 0.42496 1.38889
2 4AMF ACP 0.03285 0.40815 3.24074
3 4LAX FK5 0.03495 0.40707 3.7037
4 3AB4 THR 0.02771 0.40843 4.16667
5 2X2T GAL NGA 0.02887 0.41305 4.57516
6 2FDW D3G 0.02718 0.40887 7.87037
7 1YXM ADE 0.02667 0.42306 11.1111
8 4C2C ALA ALA ALA 0.04084 0.40488 11.1111
9 4S00 AKR 0.02702 0.41086 16.6667
Pocket No.: 4; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3tmk.bio3) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found: 6
This union binding pocket(no: 5) in the query (biounit: 3tmk.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F9U PBD 0.04667 0.40354 1.85185
2 2FGQ MLT 0.01145 0.42038 3.7037
3 1P3D ANP 0.01469 0.40169 3.7037
4 3T34 GDP 0.008951 0.40542 6.48148
5 4DS8 A8S 0.02833 0.40059 11.1111
6 1GQY ACP 0.0229 0.40186 12.5
Pocket No.: 6; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3tmk.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3tmk.bio4) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found: 3
This union binding pocket(no: 8) in the query (biounit: 3tmk.bio4) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4NZ6 DLY 0.02273 0.42783 4.16667
2 4NZ6 DGL 0.02282 0.4195 4.16667
3 2G77 AF3 0.01253 0.43313 6.56566
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