-->
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 10 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 10 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 (54)
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 2CCJ - TMP C10 H15 N2 O8 P CC1=CN(C(=....
11 2CCG - TMP C10 H15 N2 O8 P CC1=CN(C(=....
12 4HDC ic50 = 1.2 nM 13Y C28 H32 Cl N3 O5 CC1=CN(C(=....
13 4HEJ ic50 = 24000 nM 14D C24 H24 F3 N3 O3 CC1=CN(C(=....
14 4GSY ic50 = 120 nM 0Y5 C25 H24 F3 N3 O5 CC1=CN(C(=....
15 4HLC ic50 = 174 nM T05 C24 H25 N3 O7 S Cc1cccc(c1....
16 4TMK Kd = 20 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
17 1E2Q - TMP C10 H15 N2 O8 P CC1=CN(C(=....
18 1E9C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
19 1NN0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 1E2G - TMP C10 H15 N2 O8 P CC1=CN(C(=....
21 1NN1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
22 1NMX - FDM C10 H14 F N2 O7 P CC1=CN(C(=....
23 1E2E - AF3 Al F3 F[Al](F)F
24 1NN5 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 1E9B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
26 1E2D - TMP C10 H15 N2 O8 P CC1=CN(C(=....
27 1E99 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
28 1NMY - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
29 2XX3 - TAE C9 H14 N2 O8 P2 CC1=CN(C(=....
30 1NMZ - NYM C10 H16 N3 O7 P CC1=CN(C(=....
31 1E9D - ATM C10 H14 N5 O7 P CC1=CN(C(=....
32 1NN3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 1E9A - Z5A C20 H24 N10 O22 P5 CC1=CN(C(=....
34 1E9F - TMP C10 H15 N2 O8 P CC1=CN(C(=....
35 1E9E - TMP C10 H15 N2 O8 P CC1=CN(C(=....
36 1E98 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
37 1E2F - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
38 2TMK - ATM C10 H14 N5 O7 P CC1=CN(C(=....
39 3TMK Kd = 135 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
40 1TMK - TMP C10 H15 N2 O8 P CC1=CN(C(=....
41 5X8C - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
42 5ZB4 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
43 5ZAX - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 5X86 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
45 5X8B - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
46 3UWO ic50 = 20 uM 0DJ C14 H12 N4 O2 CN1c2cc(cn....
47 3UXM ic50 = 17 uM 0DN C10 H13 F N2 O4 CC1=CN(C(=....
48 5UIV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 5XB2 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
50 5XB3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
51 5XAI - TMP C10 H15 N2 O8 P CC1=CN(C(=....
52 5H56 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
53 5H5B - FLC C6 H5 O7 C(C(=O)[O-....
54 5H5K - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: T5A; Similar ligands found: 290
No: Ligand ECFP6 Tc MDL keys Tc
1 T5A 1 1
2 4TA 0.778761 0.963415
3 B4P 0.656566 0.864198
4 AP5 0.656566 0.864198
5 BA3 0.646465 0.864198
6 AQP 0.631068 0.841463
7 5FA 0.631068 0.841463
8 HEJ 0.621359 0.841463
9 ATP 0.621359 0.841463
10 Z5A 0.615385 0.906977
11 TTP 0.61165 0.841463
12 A2D 0.61 0.864198
13 UP5 0.608333 0.91358
14 AGS 0.59434 0.802326
15 SAP 0.59434 0.802326
16 A4P 0.593496 0.842697
17 ADP 0.592233 0.841463
18 G5P 0.588235 0.825581
19 ANP 0.583333 0.821429
20 M33 0.580952 0.853659
21 G3A 0.579832 0.825581
22 AD9 0.579439 0.821429
23 TYD 0.572816 0.841463
24 AN2 0.571429 0.831325
25 AT4 0.571429 0.811765
26 139 0.571429 0.939024
27 GTA 0.570248 0.818182
28 AR6 0.570093 0.841463
29 APR 0.570093 0.841463
30 A3R 0.561404 0.879518
31 A1R 0.561404 0.879518
32 ACP 0.560748 0.843373
33 ACQ 0.554545 0.843373
34 6YZ 0.553571 0.843373
35 ADS THS THS THS 0.55303 0.863636
36 DAU 0.551724 0.855422
37 ADX 0.551402 0.766667
38 CA0 0.551402 0.843373
39 ATF 0.544643 0.811765
40 PAX 0.544118 0.939759
41 PRX 0.541284 0.821429
42 9X8 0.538462 0.823529
43 OAD 0.538462 0.865854
44 25L 0.537815 0.853659
45 5AL 0.535714 0.853659
46 4TC 0.535433 0.914634
47 ADQ 0.534483 0.843373
48 A 0.533981 0.817073
49 AMP 0.533981 0.817073
50 PR8 0.533898 0.848837
51 ABM 0.533333 0.819277
52 50T 0.53211 0.809524
53 6V0 0.531746 0.914634
54 A22 0.530435 0.853659
55 3R2 0.529915 0.845238
56 3OD 0.529412 0.865854
57 1ZZ 0.529412 0.818182
58 T99 0.526786 0.811765
59 TAT 0.526786 0.811765
60 5SV 0.525862 0.804598
61 8QN 0.525862 0.853659
62 TMP 0.524272 0.829268
63 TLO 0.521739 0.865854
64 T3F 0.521008 0.879518
65 T3Q 0.521008 0.879518
66 NAX 0.519685 0.939024
67 TRH 0.516949 0.855422
68 1JB 0.516949 0.855422
69 18T 0.516949 0.855422
70 TDX 0.516949 0.865854
71 00A 0.516949 0.813953
72 0N2 0.516667 0.869048
73 TXE 0.515625 0.902439
74 APC 0.513514 0.855422
75 SRP 0.513043 0.855422
76 OOB 0.512821 0.853659
77 0FX 0.512397 0.879518
78 AP0 0.511628 0.914634
79 AP2 0.509259 0.855422
80 A12 0.509259 0.855422
81 4AD 0.508475 0.86747
82 PAJ 0.508475 0.816092
83 DWN 0.508333 0.857143
84 3YN 0.508333 0.833333
85 TXD 0.507812 0.879518
86 NAI 0.507812 0.925926
87 DLL 0.504202 0.853659
88 T46 0.504132 0.855422
89 BIS 0.504132 0.793103
90 B5M 0.504065 0.845238
91 B5Y 0.504065 0.845238
92 OMR 0.503876 0.829545
93 MMF 0.5 0.857143
94 3UK 0.5 0.843373
95 AKM 0.5 0.83908
96 SRA 0.5 0.77907
97 UPA 0.5 0.902439
98 CNA 0.496241 0.878049
99 DND 0.496124 0.855422
100 NXX 0.496124 0.855422
101 4TG 0.496 0.86747
102 9SN 0.495935 0.804598
103 LAD 0.495868 0.837209
104 B5V 0.495868 0.833333
105 WAQ 0.495868 0.857143
106 AMO 0.495798 0.878049
107 AU1 0.495495 0.821429
108 QDM 0.491935 0.825581
109 TXA 0.491803 0.855422
110 NB8 0.491803 0.847059
111 ME8 0.491803 0.818182
112 FYA 0.491803 0.876543
113 PTJ 0.491803 0.804598
114 AHX 0.491667 0.847059
115 DAL AMP 0.491525 0.831325
116 MAP 0.491525 0.802326
117 ADJ 0.488722 0.894118
118 48N 0.488372 0.847059
119 4UU 0.488189 0.890244
120 XAH 0.488 0.818182
121 1YF 0.488 0.86747
122 FNF 0.488 0.86747
123 JHZ 0.488 0.837209
124 25A 0.487395 0.841463
125 DTP 0.486957 0.853659
126 DA DT DA DA 0.485915 0.927711
127 4UW 0.484615 0.880952
128 DQV 0.484375 0.876543
129 4UV 0.484127 0.890244
130 ADV 0.482456 0.855422
131 ADP PO3 0.482456 0.817073
132 RBY 0.482456 0.855422
133 TYM 0.480916 0.878049
134 YAP 0.48 0.86747
135 FA5 0.48 0.878049
136 ALF ADP 0.478632 0.761364
137 ADP ALF 0.478632 0.761364
138 HFD 0.478261 0.802326
139 AFH 0.476562 0.816092
140 9ZA 0.475 0.813953
141 9ZD 0.475 0.813953
142 GAP 0.474138 0.8
143 SON 0.473214 0.855422
144 80F 0.471014 0.905882
145 LAQ 0.469231 0.797753
146 7D4 0.469027 0.788235
147 ITT 0.469027 0.795181
148 EAD 0.465278 0.939024
149 GA7 0.465116 0.855422
150 5AS 0.464286 0.726316
151 MYR AMP 0.464 0.797753
152 BT5 0.463768 0.831461
153 LMS 0.462963 0.728261
154 VO4 ADP 0.462185 0.809524
155 ADP VO4 0.462185 0.809524
156 3AT 0.461538 0.841463
157 PUA 0.460993 0.926829
158 A3D 0.460432 0.865854
159 FDA 0.46 0.896552
160 QUH 0.458647 0.857143
161 FUH 0.458647 0.857143
162 6FA 0.456954 0.862069
163 PAP 0.456897 0.829268
164 NAD 0.456522 0.853659
165 YLP 0.454545 0.840909
166 P1H 0.452703 0.916667
167 DAT 0.452174 0.853659
168 ADP BMA 0.451613 0.821429
169 TBD 0.451327 0.811765
170 FAD 0.45098 0.872093
171 FAS 0.45098 0.872093
172 F2R 0.449275 0.8
173 2A5 0.448276 0.821429
174 A A 0.448 0.819277
175 COD 0.446043 0.833333
176 BTX 0.446043 0.840909
177 YLC 0.444444 0.860465
178 NAQ 0.444444 0.825581
179 ATR 0.444444 0.817073
180 YLB 0.444444 0.840909
181 SFD 0.441558 0.757576
182 AOC 0.441441 0.73494
183 FNK 0.43949 0.88764
184 AVV 0.439024 0.847059
185 TYR AMP 0.438462 0.845238
186 IOT 0.437956 0.811111
187 NAE 0.4375 0.845238
188 FAY 0.436709 0.882353
189 NAJ PZO 0.43662 0.869048
190 U A 0.43662 0.879518
191 AHZ 0.43609 0.758242
192 ATY 0.435897 0.8
193 54H 0.434426 0.734043
194 A2R 0.434426 0.831325
195 VMS 0.434426 0.734043
196 ATP A A A 0.434109 0.829268
197 RFL 0.433962 0.842697
198 7D3 0.433628 0.788235
199 9K8 0.433071 0.686869
200 DZD 0.432624 0.880952
201 7MD 0.431818 0.83908
202 AYB 0.431655 0.831461
203 ZID 0.431507 0.843373
204 N0B 0.431507 0.862069
205 LLT 0.431373 0.756098
206 THM 0.431373 0.756098
207 TSB 0.430894 0.76087
208 YLY 0.430556 0.831461
209 NA7 0.428571 0.878049
210 GP3 0.428571 0.825581
211 FB0 0.427632 0.826087
212 AMP DBH 0.427481 0.8
213 G A A A 0.425532 0.784091
214 0WD 0.425532 0.914634
215 YLA 0.42446 0.840909
216 7MC 0.423358 0.840909
217 TQP 0.422819 0.840909
218 7SG 0.422819 0.840909
219 DT DT DT 0.422764 0.819277
220 52H 0.422764 0.726316
221 JB6 0.421875 0.835294
222 F2N 0.421687 0.897727
223 6AD 0.421488 0.795455
224 PPS 0.421488 0.747253
225 ARG AMP 0.421053 0.769231
226 M24 0.42069 0.786517
227 A U 0.42029 0.86747
228 T4K 0.42 0.852273
229 T5K 0.42 0.852273
230 53H 0.419355 0.726316
231 8X1 0.419355 0.721649
232 NDC 0.418301 0.847059
233 UFP 0.418182 0.767442
234 A5A 0.418033 0.75
235 XYA 0.417476 0.731707
236 RAB 0.417476 0.731707
237 ADN 0.417476 0.731707
238 A3P 0.417391 0.817073
239 G5A 0.416667 0.744681
240 A G 0.415493 0.793103
241 NAJ PYZ 0.414966 0.829545
242 SSA 0.414634 0.763441
243 GTP 0.414634 0.802326
244 3AM 0.414414 0.783133
245 NPW 0.414286 0.927711
246 KAA 0.414062 0.739583
247 P5A 0.414062 0.75
248 DDS 0.413223 0.807229
249 MTA 0.412844 0.694118
250 U A G G 0.412587 0.793103
251 LPA AMP 0.411765 0.777778
252 NZQ 0.411348 0.926829
253 FA9 0.410714 0.883721
254 AR6 AR6 0.410448 0.819277
255 APU 0.410072 0.86747
256 5N5 0.409524 0.710843
257 0DN 0.409524 0.722892
258 ARU 0.409449 0.755556
259 NVA LMS 0.409449 0.739583
260 128 0.408759 0.741935
261 NJP 0.408451 0.845238
262 5CA 0.408 0.763441
263 EP4 0.407407 0.678161
264 TAD 0.407407 0.837209
265 LEU LMS 0.40625 0.739583
266 TPE 0.40625 0.823529
267 DT DT DT DT DT 0.40625 0.821429
268 AF3 ADP 3PG 0.405797 0.775281
269 A4D 0.40566 0.710843
270 5CD 0.40566 0.698795
271 AMP NAD 0.405594 0.831325
272 3DH 0.405405 0.694118
273 NDE 0.405229 0.833333
274 AZD 0.404959 0.793103
275 NDP 0.404255 0.914634
276 62F 0.403727 0.860465
277 M2T 0.40367 0.662921
278 GSU 0.403101 0.744681
279 5HU 0.401786 0.819277
280 DUT 0.401709 0.804878
281 D3T 0.401709 0.819277
282 NSS 0.401575 0.763441
283 LSS 0.401575 0.747368
284 DSZ 0.401575 0.763441
285 RGT 0.401515 0.811765
286 TXP 0.401408 0.869048
287 P5F 0.401198 0.865169
288 DT DT PST 0.4 0.781609
289 7DT 0.4 0.829268
290 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 with APoc: 598
This union binding pocket(no: 1) in the query (biounit: 3tmk.bio2) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1Z0F GDP None
2 2QG6 NMN None
3 3PQC GDP None
4 4D0G GTP None
5 1Z0K GTP None
6 3LN9 FLC None
7 3B5J 12D 0.925926
8 3Q85 GNP 1.18343
9 4WEI GLC GAL 1.38889
10 5IRR GSP 1.38889
11 4CSD MFU 1.38889
12 5BQ5 ADP BEF 1.5873
13 2J5V PCA 1.85185
14 1RYH GNP 1.97044
15 4FRZ ADP 2.31481
16 5CK5 GDP 2.31481
17 2RCN GDP 2.31481
18 5WC2 ADP 2.31481
19 1G6O ADP 2.31481
20 4KVA GTP 2.31481
21 5G3Y ADP 2.31481
22 4MKF AP5 2.31481
23 5Y6N ADP 2.31481
24 1NHX PEP 2.31481
25 1NHX FTB 2.31481
26 4RZ3 ADP 2.31481
27 2GMV PEP 2.31481
28 2O0J ADP 2.31481
29 2GMV UN8 2.31481
30 1M7G ADX 2.36967
31 1M7G ADP 2.36967
32 1M7G AV2 2.36967
33 2F9L GDP 2.51256
34 1OIV GDP 2.6178
35 1A4R GNH 2.6178
36 1A4R GDP 2.6178
37 2WMO GTP 2.63158
38 2WJG GDP 2.65957
39 2BME GNP 2.68817
40 4YC7 GNP 2.76243
41 2AWN ADP 2.77778
42 3COB ADP 2.77778
43 4MKG AP5 2.77778
44 4J0Q GDP 2.77778
45 3U6B GDP 2.77778
46 4NU0 AP5 2.77778
47 3WYA GDP 2.77778
48 5KSZ GCP 2.77778
49 5JBQ GDP 2.77778
50 1D8T GDP 2.77778
51 1D2E GDP 2.77778
52 4G5G GDP 2.77778
53 5W76 GDP 2.77778
54 5W7Q GDP 2.77778
55 3U6K GDP 2.77778
56 5W75 GDP 2.77778
57 3EC1 GDP 2.77778
58 4HSE ADP 2.77778
59 5LB3 ADP 2.77778
60 2BVN GNP 2.77778
61 3TBK ANP 2.77778
62 2D7D ADP 2.77778
63 2B8T THM 2.77778
64 2C77 GNP 2.77778
65 2C78 GNP 2.77778
66 4RW3 SHV 2.77778
67 3IUY AMP 2.77778
68 6B8B ADP 2.77778
69 3VX3 ADP 2.77778
70 6DEF GCP 2.77778
71 1LPD ADE 2.77778
72 4TTQ ATP 2.7907
73 6AIC AMP 2.80374
74 2J0V GDP 2.83019
75 2JAQ DCP 2.92683
76 5E95 GDP 2.97619
77 2WJH GDP 3.01205
78 2WJH FLC 3.01205
79 1CLU DBG 3.01205
80 1LVG ADP 3.0303
81 2ZX2 RAM 3.07692
82 2GKS ADP 3.24074
83 5M04 GDP 3.24074
84 4R98 GNH 3.24074
85 3BOS CDP 3.24074
86 2WHX ADP 3.24074
87 2IYL GDP 3.24074
88 4IEE AGS 3.24074
89 2NGR GDP 3.24074
90 1Z6T ADP 3.24074
91 6H5E ANP 3.24074
92 3KJI ADP 3.24074
93 4WOP CTP 3.24074
94 4GOX A3P 3.24074
95 1NY5 ADP 3.24074
96 5K5Z ANP 3.24074
97 2WIC GNP 3.24074
98 1WF3 GNP 3.24074
99 1GXU 2HP 3.2967
100 2BS5 BGC GAL FUC 3.33333
101 1JJV ATP 3.39806
102 5XC5 GTP 3.40909
103 1GWN GTP 3.41463
104 1KO8 6PG 3.42857
105 1GRN GDP 3.44828
106 2B4B B33 3.50877
107 2CJW GDP 3.64583
108 5KSP GDP 3.68421
109 2CBZ ATP 3.7037
110 1ZIN AP5 3.7037
111 5YT0 GDP 3.7037
112 2IS6 ADP 3.7037
113 5FG3 GDP 3.7037
114 4B47 GDP 3.7037
115 2D2F ADP 3.7037
116 4QOS ADP 3.7037
117 1V8K ANP 3.7037
118 2GDJ ANP 3.7037
119 5Z69 AGS 3.7037
120 3RC3 ANP 3.7037
121 5H7K GDP 3.7037
122 3IO3 ADP 3.7037
123 5HR5 ADP 3.7037
124 1TQ4 GDP 3.7037
125 4H1V GNP 3.7037
126 4V03 ADP 3.7037
127 1NJF ADP 3.7037
128 1Y3A GDP 3.7037
129 5HZ9 5M8 3.7037
130 1NJF AGS 3.7037
131 4TMZ GSP 3.7037
132 4NCN GTP 3.7037
133 1SVK ALF GDP 3.7037
134 1I0B PEL 3.7037
135 6AU6 GDP 3.7037
136 5UPK GNP 3.7037
137 2OM2 GDP 3.7037
138 1MH1 GNP 3.76344
139 1M7B GTP 3.80435
140 1G4U GDP 3.80435
141 2ZEJ GDP 3.80435
142 1KY3 GDP 3.84615
143 3SFV GDP 3.8674
144 5O74 GDP 3.88889
145 2W58 ADP 3.9604
146 3NKV GNP 4
147 5XKT GNP 4
148 4ZNL BEF ADP 4.0146
149 2HT6 GDP 4.02299
150 1Z08 GNP 4.11765
151 1BG2 ADP 4.16667
152 5TSH ADP 4.16667
153 5TSH ANP 4.16667
154 4YDS ATP 4.16667
155 1PUJ GNP 4.16667
156 1VKJ A3P 4.16667
157 4LYA ATP 4.16667
158 1R6B ADP 4.16667
159 1ZUI SKM 4.16667
160 2FAH GDP 4.16667
161 5JCZ GDP 4.16667
162 1H65 GDP 4.16667
163 2HF9 GSP 4.16667
164 4NON GDP 4.16667
165 4OI4 ATP 4.16667
166 2Z5F A3P 4.16667
167 4X8O AP5 4.20561
168 1GP2 GDP 4.22535
169 6CRK GDP 4.22535
170 4KFU ACP 4.24528
171 5OEC GDP 4.37158
172 1NRJ GTP 4.43038
173 3H4S ADP 4.44444
174 6BSX GDP 4.49438
175 6BSX E7S 4.49438
176 4HI0 GDP 4.52261
177 1Z0A GDP 4.5977
178 4DID GDP 4.60526
179 1SVI GDP 4.61538
180 3BC1 GNP 4.61538
181 6A20 ADP 4.62963
182 1XMV ADP 4.62963
183 3EWA ANP 4.62963
184 2DPY ADP 4.62963
185 1XKV ATP 4.62963
186 1W7J ADP BEF 4.62963
187 5JCP GDP ALF 4.62963
188 2GCO GNP 4.62963
189 2JLR ANP 4.62963
190 1E2K TMC 4.62963
191 1LVK MNT BEF 4.62963
192 2ZPA ADP 4.62963
193 4ZDJ UTP 4.62963
194 1UJ2 ADP 4.62963
195 1KI6 AHU 4.62963
196 1UJ2 C5P 4.62963
197 1K6M AGS 4.62963
198 2GCN GDP 4.62963
199 1QHG ATP 4.62963
200 4OHY ANP 4.62963
201 1F4F TP3 4.62963
202 4QM7 GTP 4.62963
203 1DDU CB3 4.62963
204 2B8W ALF 5GP 4.62963
205 1OW3 GDP 4.66321
206 1G16 GDP 4.70588
207 1BO4 COA 4.7619
208 3MJH GTP 4.7619
209 5WLB GNP 4.81928
210 5IRC GDP 4.83871
211 4M9Q GNP 4.84582
212 3LXR GDP 4.86486
213 5HPY GDP 4.86486
214 1KMQ GNP 4.8913
215 5MVR ADP 4.93827
216 4U5X GNP 5.05618
217 1S8F GDP 5.08475
218 1TX4 ALF GDP 5.08475
219 5ZXD ATP 5.09259
220 5L3V GDP 5.09259
221 5IFS ADP 5.09259
222 3ZFD ANP 5.09259
223 3DZD ADP 5.09259
224 2CHG ANP 5.09259
225 6CS8 F9Y 5.09259
226 2XTN GTP 5.09259
227 4XZ3 ACP 5.09259
228 3HU3 AGS 5.09259
229 6FOG OXL 5.09259
230 4BQS ADP 5.11364
231 4BQS K2Q 5.11364
232 1UAD GNP 5.14286
233 1QF9 C5P 5.15464
234 1QF9 ALF 5.15464
235 1QF9 ADP 5.15464
236 2GJ8 ALF GDP 5.23256
237 4ZI2 GNP 5.26316
238 5KUT GDP 5.29101
239 4GOJ GNP 5.29101
240 1ZD9 GDP 5.31915
241 3RAB GNP 5.32544
242 1U8Z GDP 5.35714
243 5DI3 GNP 5.40541
244 6BCB GSP 5.40541
245 6BC0 GSP 5.40541
246 6BCA GSP 5.40541
247 1UKZ ADP 5.41872
248 3Q72 GNP 5.42169
249 1FZQ GDP 5.52486
250 3LRE ADP 5.55556
251 1S3G AP5 5.55556
252 1MKY GDP 5.55556
253 1R0X ATP 5.55556
254 2OBM ADP 5.55556
255 6G14 G4P 5.55556
256 1G7S GDP 5.55556
257 5LLB 6YZ 5.55556
258 1WDT GTP 5.55556
259 2FNA ADP 5.55556
260 3FKQ ATP 5.55556
261 2A9K GDP 5.55556
262 4RD0 GDP 5.55556
263 2FJU GSP 5.55556
264 1XPJ TLA 5.55556
265 3Q9L ATP 5.55556
266 5VHC BEF ADP 5.55556
267 5I0H ADP BEF 5.55556
268 2X7I CIT 5.55556
269 3AYS CT3 5.55556
270 4IOK XPO 5.55556
271 2QEN ADP 5.55556
272 3QKT ANP 5.55556
273 5WRJ A3P 5.55556
274 4E03 ADP 5.82524
275 1EK0 GNP 5.88235
276 4PPF FLC 6.01852
277 1T5C ADP 6.01852
278 4AG5 ADP 6.01852
279 3NHB ADP 6.01852
280 1YRB GDP 6.01852
281 3ZIA ATP 6.01852
282 5FTB ANP 6.01852
283 5AK0 8V1 6.01852
284 3ZIA ADP 6.01852
285 2GK6 ADP 6.01852
286 4YJ1 ADP 6.01852
287 5IRN ADP 6.01852
288 5XDR ADP 6.01852
289 3CPJ GDP 6.01852
290 5FHD ADP ALF 6.01852
291 3EZ2 ADP 6.01852
292 3ITJ CIT 6.01852
293 2FSH ANP 6.01852
294 2ORV 4TA 6.01852
295 2BCG GDP 6.01852
296 1NST A3P 6.01852
297 2OZE AGS 6.01852
298 2ZE7 DST 6.01852
299 1L2T ATP 6.01852
300 1SVM ATP 6.01852
301 2ZE7 AMP 6.01852
302 1F5N GNP 6.01852
303 3CNL GNP 6.01852
304 3KTA AP5 6.04396
305 3T1O GDP 6.06061
306 3T12 GDP ALF 6.06061
307 3DOE GTP 6.06061
308 5X40 ACP 6.16438
309 3REF GDP 6.18557
310 3H86 AP5 6.25
311 2HV8 GTP 6.25
312 1XX6 ADP 6.28272
313 1HTW ADP 6.32911
314 3W5J GDP 6.37255
315 4YMU ATP 6.48148
316 1JI0 ATP 6.48148
317 4DKX GDP 6.48148
318 1XP8 AGS 6.48148
319 1VHT BA3 6.48148
320 4R43 GDP 6.48148
321 1X6V ADP 6.48148
322 4A4Z ANP 6.48148
323 4FCW ADP 6.48148
324 6B4K ANP 6.48148
325 5M7P ADP 6.48148
326 1IHU AF3 6.48148
327 4LJ9 ACP 6.48148
328 1IHU ADP 6.48148
329 2QQ0 THM 6.52174
330 4UXH T5A 6.52174
331 2QQ0 ANP 6.52174
332 2QQ0 TMP 6.52174
333 2QQ0 ADP 6.52174
334 2G77 GDP 6.56566
335 1Z83 AP5 6.63265
336 1W4R TTP 6.66667
337 1HE1 GDP 6.66667
338 1VG0 GDP 6.76329
339 3BER AMP 6.82731
340 1Z06 GNP 6.87831
341 1G6H ADP 6.94444
342 5G41 AP5 6.94444
343 1OXV ANP 6.94444
344 5N69 ADP 6.94444
345 4XGU ADP 6.94444
346 3B7G ANP 6.94444
347 2XAU ADP 6.94444
348 2IXE ATP 6.94444
349 4NE2 SH2 6.94444
350 4NE2 ADP 6.94444
351 4ZG4 VO4 ADP 6.94444
352 4PFO ADP 6.94444
353 5NM7 GLY 6.94444
354 5WRI A3P 6.94444
355 4LPS GDP 6.94444
356 1SQ5 ADP 6.94444
357 5O2T GSP 6.95187
358 2CDN ADP 6.96517
359 2EW1 GNP 6.96517
360 3T5G GDP 7.23684
361 1KSH GDP 7.23684
362 5TB5 GDP 7.33333
363 3A1S GDP 7.36434
364 5LTJ ADP 7.40741
365 5MZN ADP 7.40741
366 2ZTS ADP 7.40741
367 5LTJ BEF 7.40741
368 5E5U MLI 7.40741
369 3KUD GDP 7.40741
370 2X77 GDP 7.40741
371 3BD9 A3P 7.40741
372 4QDI ATP 7.40741
373 3K4Q IHS 7.40741
374 1WQ1 AF3 7.40741
375 5UQW GDP 7.40741
376 5TAR GDP 7.43243
377 1ZJ6 G3D 7.48663
378 1VG1 GDP 7.56757
379 1VG9 GDP 7.56757
380 1F6B GDP 7.57576
381 3AQ4 GDP 7.6087
382 1XXA ARG 7.69231
383 1MR3 G3D 7.73481
384 3IIJ ADP 7.77778
385 2A5J GDP 7.8534
386 1YQT ADP 7.87037
387 5YV5 ADP 7.87037
388 4DCT GDP 7.87037
389 1G41 ADP 7.87037
390 1OFH ADP 7.87037
391 2ZFI ADP 7.87037
392 4PC3 GDP 7.87037
393 1LVW TYD 7.87037
394 2XTZ GSP 7.87037
395 3WXM GTP 7.87037
396 3TKL GTP 7.87037
397 3VMF GTP 7.87037
398 4YS0 ADP 7.87037
399 5Z2M GTP 7.95455
400 2A5F GTP 8
401 3PCR GTP 8.02469
402 4BAS GNP 8.0402
403 4QRH 0O2 8.09524
404 1CXZ GSP 8.13953
405 2RGX AP5 8.25243
406 4KAX GTP 8.28402
407 3FB4 AP5 8.33333
408 1U0J ADP 8.33333
409 1DS6 GDP 8.33333
410 4ITR GDP 8.33333
411 4XTR ADP 8.33333
412 4XTR ATP 8.33333
413 4Z7X 3CX 8.33333
414 4XVU ATP 8.33333
415 2XSB GDL 8.33333
416 1RRC ADP 8.33333
417 1YZG GDP 8.37989
418 1O3Y GTP 8.43373
419 1J2J GTP 8.43373
420 2J59 GTP 8.43373
421 1R4A GNP 8.48485
422 1RE0 GDP 8.53659
423 1S9D GDP 8.53659
424 4R2I ANP 8.57143
425 3N5C GDP 8.64198
426 1UPT GTP 8.77193
427 1TU3 GNP 8.77193
428 4U00 ADP 8.7963
429 2VVG ADP 8.7963
430 4IHQ ADP 8.7963
431 3P4X ADP 8.7963
432 5L3W GDP 8.7963
433 5ZBR ANP 8.7963
434 2BIF SIN 8.7963
435 2BIF ANP 8.7963
436 4XSH GSP 8.7963
437 5L3S GNP 8.7963
438 5L3S G 8.7963
439 1IUP ALQ 8.7963
440 1W5T ADP 8.7963
441 1W5T ANP 8.7963
442 1T8U A3P 8.7963
443 3BFX A3P 8.7963
444 2KIN ADP 9
445 3B9Q MLI 9.25926
446 1DAR GDP 9.25926
447 3DEF GDP 9.25926
448 1OE0 TTP 9.25926
449 1G3Q ADP 9.25926
450 1ION ADP 9.25926
451 2C9O ADP 9.25926
452 1D2N ANP 9.25926
453 5L3R GCP 9.25926
454 1AQU A3P 9.25926
455 5G1N PAL 9.25926
456 2W9S TOP 9.31677
457 5EE5 GTP 9.35672
458 1M2O GNP 9.47368
459 1KAO GDP 9.58084
460 2PZE ATP 9.72222
461 5U32 GDP 9.72222
462 4WZ6 ATP 9.72222
463 1B0U ATP 9.72222
464 4LC1 GDP 9.72222
465 5HCN GCP 9.72222
466 4Q1A UDP 9.72222
467 4Q1A 2XZ 9.72222
468 1W0J ADP 9.72222
469 1FP6 ADP 9.72222
470 3AB3 GDP 9.72222
471 1YTM ATP 9.72222
472 1FNN ADP 9.72222
473 1ZCB GDP 9.72222
474 1W0J ADP BEF 9.72222
475 2WKQ GTP 9.72222
476 3ZUY TCH 9.72222
477 4LHW GNP 9.77011
478 1M6P M6P 9.86842
479 5H67 ATP 10
480 2OFW ADX 10.0962
481 2ZR9 DTP 10.1852
482 2CE7 ADP 10.1852
483 3BFV ADP 10.1852
484 4PX9 ADP 10.1852
485 3DKP ADP 10.1852
486 4JLV ADP 10.1852
487 1IN4 ADP 10.1852
488 6FAA ADP 10.1852
489 1GOJ ADP 10.6481
490 1P72 ADP 10.6481
491 1DAK DPU 10.6481
492 1DAK ADP 10.6481
493 1P72 THM 10.6481
494 3FVQ ATP 10.6481
495 2QTV GNP 10.7784
496 5KDO GDP 10.8108
497 1GOT GDP 10.9589
498 1JJ7 ADP 11.1111
499 2OG2 MLI 11.1111
500 1SKQ GDP 11.1111
501 2QZ4 ADP 11.1111
502 5BN3 ADP 11.1111
503 4D81 ADP 11.1111
504 4HE2 AMP 11.1111
505 3QXC ATP 11.157
506 4YLG GDP 11.5607
507 5GOE GDP 11.5741
508 5VGR GDP 11.5741
509 4PJ3 ANP 11.5741
510 2Q8M AMP 11.5741
511 4GBM A3P 11.5741
512 5H4S RAM 11.5741
513 2EFE GNH 11.6022
514 2V7Q ATP 11.6438
515 2CK3 ANP 11.6438
516 2V7Q ADP 11.6438
517 2CK3 ADP 11.6438
518 2FH5 GTP 11.6822
519 2PEZ GGZ 11.7318
520 2PEZ DAT 11.7318
521 1VC9 ATP 11.9048
522 3TK1 GDP 12.037
523 3MD0 GDP 12.037
524 3GJ7 GDP 12.037
525 3GJ0 GDP 12.037
526 3GJ4 GDP 12.037
527 3GJ8 GDP 12.037
528 3GJ5 GDP 12.037
529 5BXQ GDP 12.037
530 3CH5 GDP 12.037
531 4WZA ACP 12.037
532 4WZA ADP 12.037
533 5J1J ANP 12.037
534 4D0N GDP 12.5
535 1RJ9 GCP 12.5
536 1OS1 ATP 12.5
537 1OS1 PYR 12.5
538 4P3Y GDP 12.6374
539 5GVR LMR 12.963
540 2CUN 3PG 12.963
541 2VB6 ADP BEF 13.4228
542 4BFW ZVW 13.4259
543 5EXT ADP 13.4259
544 3KC1 2T6 13.4259
545 4K81 GTP 13.4259
546 3FYH ADP 13.4259
547 3UIE ANP 13.5
548 2HCJ GDP 13.5135
549 4JLS 3ZE 13.8158
550 3DC4 ADP 13.8889
551 3RWO GDP 14.0541
552 1F9V ADP 14.3519
553 1CR1 TTP 14.3519
554 1B7T ADP 14.7436
555 5H7J GCP 14.8148
556 4KBF AMP 14.8148
557 4Q0A 4OA 14.8148
558 1KK8 BEF ADP 15.1079
559 2XT3 ADP 15.2778
560 1FQJ GDP 15.2778
561 1FQK GDP 15.2778
562 1FQJ ALF 15.2778
563 4V0K GDP 15.3846
564 1Z2A GDP 15.4762
565 1I4D GDP 15.7407
566 5Y02 HBX 15.8879
567 2W2X GSP 16.129
568 2PL3 ADP 16.6667
569 1D5C GDP 16.6667
570 4S00 AKR 16.6667
571 6CS9 PIO 17.0732
572 3A4M ADP 17.1296
573 1AKY AP5 17.1296
574 3FWY ADP 17.1296
575 1G7C 5GP 17.1296
576 4P4T GDP 17.1296
577 1QHH ATP 17.1598
578 3E70 GDP 17.5926
579 3GJ3 GDP 18.1818
580 2W83 GTP 18.1818
581 4CVN ADP 18.3246
582 1YVD GNP 18.3432
583 4G86 BNT 18.5185
584 2Y8E GNP 19.5531
585 2Y65 ADP 20
586 2FFQ GSP 20.4678
587 1YZQ GNP 20.5882
588 3RLF ANP 20.8333
589 1Y63 ADP 22.8261
590 1KK1 GNP 25
591 5LEF GTP 25.7576
592 2NCD ADP 25.9259
593 3QF7 ANP 26
594 2QN6 GDP 26.8817
595 5F7N NAG GAL FUC FUC A2G 31.0185
596 5F7Y GLC GAL NAG GAL FUC A2G 31.4815
597 3WY9 GDP 34.375
598 6C90 ADP 40.3846
Pocket No.: 2; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found with APoc: 11
This union binding pocket(no: 2) in the query (biounit: 3tmk.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 3R7F CP 2.77778
2 5TIV A3P 2.77778
3 4IOK ADP 5.55556
4 1OFZ FUL 6.48148
5 1OFZ FUC 6.48148
6 5BYK A3P 7.87037
7 5BYK OAQ 7.87037
8 2O66 FLC 8.88889
9 1YXM ADE 11.1111
10 1NU4 MLA 16.4948
11 1P0Z FLC 16.7939
Pocket No.: 3; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found with APoc: 25
This union binding pocket(no: 3) in the query (biounit: 3tmk.bio3) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 2DTJ THR 1.38889
2 1KSK URA 2.77778
3 1XTT U5P 2.77778
4 4AMF ACP 3.24074
5 5W0N UPU 3.24074
6 6C74 PC 3.6036
7 4LAX FK5 3.7037
8 2WPB ZZI 3.7037
9 3GD8 GOL 4.16667
10 3AB4 THR 4.16667
11 2X2T GAL NGA 4.57516
12 1FWM CB3 4.62963
13 2X05 X05 5.09259
14 1O5O U5P 5.55556
15 1TKU 5RP 6.37255
16 3TKY N7I 6.94444
17 1EKX PAL 6.94444
18 2AJ4 ANP 6.94444
19 2FDW D3G 7.87037
20 3GXZ NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 7.92079
21 2DT9 THR 10.7784
22 4C2C ALA ALA ALA 11.1111
23 3KO0 TFP 11.8812
24 6C92 EGV 12.963
25 5Y02 MXN 15.8879
Pocket No.: 4; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found with APoc: 8
This union binding pocket(no: 4) in the query (biounit: 3tmk.bio3) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 3I7S PYR 2.77778
2 2OEM 1AE 4.62963
3 1OS7 TAU 4.62963
4 2G77 AF3 6.56566
5 3CX8 GSP 10.1852
6 2BEK ATP 13.8889
7 3ZW0 FUC 14.9425
8 2VHJ ADP 16.2037
Pocket No.: 5; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found with APoc: 24
This union binding pocket(no: 5) in the query (biounit: 3tmk.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 1BWO LPC None
2 4F9U PBD 1.85185
3 3CYI ATP 2.72727
4 3P3Z P3Z 2.77778
5 3ZO7 K6H 3.19149
6 4ICS TRP GLY 3.24074
7 3BQF SSM 3.60825
8 2FGQ MLT 3.7037
9 1P3D ANP 3.7037
10 6F9G PUT 4.62963
11 4TL6 ANP 4.62963
12 6F5W KG1 6.01852
13 4RUS NAG 6.48148
14 4RUS NDG 6.48148
15 3T34 GDP 6.48148
16 2FVK DUC 6.48148
17 3NGU ADP 6.62252
18 1PIG GLC GLC 7.87037
19 5XSS XYP 7.87037
20 1F2U ATP 8.05369
21 4DS8 A8S 11.1111
22 1GQY ACP 12.5
23 6F7X MFU 18.8889
24 6FHQ DE5 27.5862
Pocket No.: 6; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found with APoc: 6
This union binding pocket(no: 6) in the query (biounit: 3tmk.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 2XZ9 PYR 2.31481
2 1LDN FBP 3.24074
3 6D3U 83Y BDP 83Y GCD 5.09259
4 4P83 U5P 6.59341
5 2MPR BGC GLC GLC 8.33333
6 1FQK ALF 15.2778
Pocket No.: 7; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found with APoc: 5
This union binding pocket(no: 7) in the query (biounit: 3tmk.bio4) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 4B1L FRU 2.42424
2 3L6C MLI 3.7037
3 5O0J 8BR 5.09259
4 4MOB ADP 5.55556
5 1R2Q GNP 8.82353
Pocket No.: 8; Query (leader) PDB : 3TMK; Ligand: T5A; Similar sites found with APoc: 13
This union binding pocket(no: 8) in the query (biounit: 3tmk.bio4) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 3F5A SIA GAL NAG 2.77778
2 1FWV SGA MAG FUC 2.98507
3 2WQ4 SFU 3.24074
4 5KL0 G16 3.7037
5 4NZ6 DLY 4.16667
6 4NZ6 DGL 4.16667
7 2J83 BAT 4.16667
8 5KY4 GDP 5.09259
9 3WIR BGC 5.09259
10 1GYM MYG 6.94444
11 5IHE D5M 6.94444
12 1T0S BML 15.1163
13 5I34 GDP 18.0556
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