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Receptor
PDB id Resolution Class Description Source Keywords
1W4R 1.83 Å EC: 2.7.1.21 STRUCTURE OF A TYPE II THYMIDINE KINASE WITH BOUND DTTP HOMO SAPIENS TRANSFERASE TYPE II TRANSFERASE
Ref.: STRUCTURE OF A TYPE II THYMIDINE KINASE WITH BOUND FEBS LETT. V. 579 1376 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DTU E:1193;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C([C@...
TTP A:300;
B:300;
C:300;
D:300;
E:300;
F:300;
G:300;
H:300;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
482.168 C10 H17 N2 O14 P3 CC1=C...
ZN A:400;
B:400;
C:400;
D:400;
E:400;
F:400;
G:400;
H:400;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W4R 1.83 Å EC: 2.7.1.21 STRUCTURE OF A TYPE II THYMIDINE KINASE WITH BOUND DTTP HOMO SAPIENS TRANSFERASE TYPE II TRANSFERASE
Ref.: STRUCTURE OF A TYPE II THYMIDINE KINASE WITH BOUND FEBS LETT. V. 579 1376 2005
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1XBT - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
2 1W4R - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
3 2WVJ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1XBT - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
2 1W4R - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
3 2WVJ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
4 2ORV Kd = 29 nM 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1XBT - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
2 1W4R - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
3 2WVJ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
4 4UXH ic50 = 1.1 uM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
5 2ORV Kd = 29 nM 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
6 2UZ3 - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
7 1XX6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 5FUV - THM C10 H14 N2 O5 CC1=CN(C(=....
9 5FUW - QBT C10 H17 N2 O8 P C[C@H]1CN(....
10 5FUX - QBT C10 H17 N2 O8 P C[C@H]1CN(....
11 2ORW - 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
12 2QQ0 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
13 2QQE - THM C10 H14 N2 O5 CC1=CN(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TTP; Similar ligands found: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 TTP 1 1
2 TYD 0.884058 1
3 TMP 0.760563 0.985714
4 TLO 0.722892 0.945205
5 DAU 0.701149 0.932432
6 TDX 0.689655 0.945205
7 18T 0.689655 0.932432
8 TRH 0.689655 0.932432
9 3R2 0.689655 0.92
10 1JB 0.689655 0.932432
11 3YN 0.674157 0.932432
12 T3Q 0.674157 0.907895
13 DWN 0.674157 0.907895
14 T3F 0.674157 0.907895
15 0N2 0.666667 0.896104
16 T46 0.666667 0.932432
17 0FX 0.659341 0.907895
18 MMF 0.659341 0.907895
19 QDM 0.645161 0.896104
20 AKM 0.638298 0.886076
21 1YF 0.638298 0.92
22 JHZ 0.638298 0.884615
23 FNF 0.638298 0.92
24 4TG 0.631579 0.92
25 TBD 0.62963 0.958904
26 DUT 0.62963 0.957143
27 D3T 0.62963 0.971831
28 T5A 0.61165 0.841463
29 THM 0.605634 0.873239
30 LLT 0.605634 0.873239
31 ATY 0.6 0.945205
32 FUH 0.588235 0.907895
33 QUH 0.588235 0.907895
34 AZD 0.586207 0.907895
35 DT DT DT 0.571429 0.917808
36 UFP 0.56962 0.905405
37 0DN 0.567568 0.833333
38 DCP 0.55814 0.891892
39 5HU 0.54321 0.971831
40 BRU 0.54321 0.905405
41 DUD 0.542169 0.957143
42 DT DT DT DT DT 0.541667 0.945205
43 NYM 0.536585 0.958333
44 FDM 0.536585 0.918919
45 5IU 0.536585 0.905405
46 ABT 0.531915 0.884615
47 T3P 0.531646 0.943662
48 DT DT PST 0.530612 0.87013
49 THP 0.53012 0.971429
50 D4T 0.528736 0.928571
51 6U4 0.521277 0.848101
52 ATM 0.517241 0.894737
53 7SG 0.512605 0.864198
54 TQP 0.512605 0.864198
55 TXS 0.512195 0.789474
56 TPE 0.510204 0.894737
57 T5K 0.508333 0.853659
58 T4K 0.508333 0.853659
59 BVP 0.5 0.944444
60 T3S 0.5 0.789474
61 8DG 0.489583 0.829268
62 YYY 0.477273 0.891892
63 2DT 0.47561 0.957747
64 4TA 0.469565 0.807229
65 DT ME6 DT 0.468468 0.87013
66 D4D 0.449438 0.928571
67 AZZ 0.447059 0.779221
68 DU 0.447059 0.942857
69 UMP 0.447059 0.942857
70 DUP 0.430108 0.930556
71 ADS THS THS THS 0.429752 0.758621
72 UTP 0.428571 0.875
73 8DD 0.424242 0.8125
74 WMJ 0.42 0.761905
75 DDN 0.418605 0.942857
76 8GD 0.418367 0.829268
77 DGT 0.415842 0.759036
78 UC5 0.406593 0.943662
79 ID2 0.402439 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W4R; Ligand: TTP; Similar sites found with APoc: 560
This union binding pocket(no: 1) in the query (biounit: 1w4r.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2Y65 ADP None
2 4FRZ ADP None
3 3H4S ADP None
4 2WJG GDP None
5 2WJH GDP None
6 1GXU 2HP None
7 3AQ4 GDP None
8 2WJH FLC None
9 2ZTS ADP None
10 1TL2 NDG None
11 4YLG GDP None
12 5HGZ MLA None
13 5C2N NAG None
14 4OWK NGA None
15 3KJI ADP None
16 3P13 RIP None
17 1DAK ADP None
18 1DAK DPU None
19 1W9W BGC BGC BGC GLC BGC BGC None
20 1G16 GDP None
21 3A1S GDP 1.02564
22 3P4X ADP 1.02564
23 2X2T GAL NGA 1.30719
24 4JLS 3ZE 1.31579
25 3TK1 GDP 1.53846
26 1SVI GDP 1.53846
27 3PQC GDP 1.53846
28 4LPS GDP 1.53846
29 5L3W GDP 1.53846
30 4BAS GNP 1.53846
31 1WOG 16D 1.53846
32 5JCZ GDP 1.53846
33 1NST A3P 1.53846
34 5ZCT ANP 1.53846
35 6CIB ADP 1.53846
36 4LAX FK5 1.53846
37 1TLG GAL 1.6
38 2A9K GDP 1.60428
39 3IIJ ADP 1.66667
40 4LO2 GAL BGC 2.04082
41 3UIE ANP 2.05128
42 4AG5 ADP 2.05128
43 4R43 GDP 2.05128
44 5EXT ADP 2.05128
45 5HR5 ADP 2.05128
46 3KU0 ADE 2.05128
47 3FKQ ATP 2.05128
48 1H65 GDP 2.05128
49 5LXB 7A9 2.05128
50 3H55 GLA 2.05128
51 2OFW ADX 2.05128
52 5E95 GDP 2.06186
53 1BO4 COA 2.38095
54 1GOJ ADP 2.5641
55 1F9V ADP 2.5641
56 4TTQ ATP 2.5641
57 2X7I CIT 2.5641
58 4KVA GTP 2.5641
59 3HU3 AGS 2.5641
60 6CB2 OLC 2.5641
61 3FWY ADP 2.5641
62 5IRR GSP 2.5641
63 1K6M AGS 2.5641
64 2VB6 ADP BEF 2.5641
65 1D8C GLV 2.5641
66 1YTM ATP 2.5641
67 2B8W ALF 5GP 2.5641
68 1PIE GLA 2.5641
69 4USI AKG 2.5974
70 3H86 AP5 2.60417
71 1ZUI SKM 2.97619
72 2W58 ADP 3.07692
73 1JJV ATP 3.07692
74 1RRC ADP 3.07692
75 1M7G AV2 3.07692
76 4LC1 GDP 3.07692
77 3GJ0 GDP 3.07692
78 3DKP ADP 3.07692
79 3GJ3 GDP 3.07692
80 3GJ5 GDP 3.07692
81 5BXQ GDP 3.07692
82 1RYH GNP 3.07692
83 2QZ4 ADP 3.07692
84 1M7G ADP 3.07692
85 2JAQ DCP 3.07692
86 1US2 XYP XYP XYP XYP 3.07692
87 1G3Q ADP 3.07692
88 1ZIN AP5 3.07692
89 1PVS 7HP 3.07692
90 1M7G ADX 3.07692
91 1ION ADP 3.07692
92 4N2R AHR 3.07692
93 2FAH GDP 3.07692
94 1MRH FMC 3.07692
95 3QXQ CE5 3.07692
96 5XK9 GST 3.07692
97 5MVR ADP 3.08642
98 5KSP GDP 3.15789
99 2BME GNP 3.22581
100 2ZHZ ATP 3.27869
101 1MR3 G3D 3.31492
102 1N13 AG2 3.53982
103 4WOP CTP 3.55556
104 2QQC AG2 3.57143
105 4KFU ACP 3.58974
106 2WIC GNP 3.58974
107 2DPY ADP 3.58974
108 5LB3 ADP 3.58974
109 3GJ7 GDP 3.58974
110 1VHT BA3 3.58974
111 3EC1 GDP 3.58974
112 4DID GDP 3.58974
113 6C90 ADP 3.58974
114 2CE7 ADP 3.58974
115 1XKV ATP 3.58974
116 2G77 GDP 3.58974
117 2O0J ADP 3.58974
118 2C77 GNP 3.58974
119 3HNA SAH 3.58974
120 2RFI SAH 3.58974
121 2G77 AF3 3.58974
122 3FB4 AP5 3.58974
123 5JCP GDP ALF 3.58974
124 3SWC SAH 3.58974
125 5Z3I ADE 3.58974
126 1NJF AGS 3.58974
127 5LLB 6YZ 3.58974
128 2ZX2 RAM 3.58974
129 2C78 GNP 3.58974
130 4U60 SIA 3.58974
131 1S3G AP5 3.58974
132 1NJF ADP 3.58974
133 1IHU ADP 3.58974
134 4U60 SIA GAL NGA 3.58974
135 2OZE AGS 3.58974
136 2GCN GDP 3.58974
137 4RDN 6MD 3.59281
138 5BQ5 ADP BEF 3.7037
139 5HPY GDP 3.78378
140 1B0U ATP 3.81679
141 2ZFI ADP 3.82514
142 6BSX GDP 3.93258
143 2KIN ADP 4
144 1KO8 6PG 4
145 3W5J GDP 4.10256
146 1BG2 ADP 4.10256
147 3LRE ADP 4.10256
148 3COB ADP 4.10256
149 5CK5 GDP 4.10256
150 3BOS CDP 4.10256
151 1D2E GDP 4.10256
152 5L3V GDP 4.10256
153 5GOE GDP 4.10256
154 4HSE ADP 4.10256
155 4E03 ADP 4.10256
156 5H7J GCP 4.10256
157 4H1V GNP 4.10256
158 5NM7 GLY 4.10256
159 1R6B ADP 4.10256
160 4MKG AP5 4.10256
161 4MKF AP5 4.10256
162 3EF0 ALF 4.10256
163 1SVM ATP 4.10256
164 5H4S RAM 4.10256
165 4TMK T5A 4.10256
166 5OPJ AHR 4.10256
167 2PEZ DAT 4.10256
168 2PEZ GGZ 4.10256
169 5K5Z ANP 4.10256
170 2Q2Y ADP 4.10256
171 2Q2Y MKR 4.10256
172 5L3S GNP 4.10256
173 3IX1 NFM 4.10256
174 1KAO GDP 4.19162
175 5WLB GNP 4.21687
176 4J0Q GDP 4.38799
177 2O66 FLC 4.44444
178 1Z0F GDP 4.46927
179 4D0G GTP 4.57143
180 1NRJ GTP 4.58716
181 5ZXD ATP 4.61538
182 5GVR LMR 4.61538
183 2WHX ADP 4.61538
184 1T5C ADP 4.61538
185 1OXV ANP 4.61538
186 5TSH ADP 4.61538
187 5TSH ANP 4.61538
188 4QOS ADP 4.61538
189 5M04 GDP 4.61538
190 2IS6 ADP 4.61538
191 5W75 GDP 4.61538
192 2JLR ANP 4.61538
193 4LYA ATP 4.61538
194 3T1O GDP 4.61538
195 4R2I ANP 4.61538
196 5H7K GDP 4.61538
197 4A4Z ANP 4.61538
198 5IFS ADP 4.61538
199 2GK6 ADP 4.61538
200 3RC3 ANP 4.61538
201 4P4T GDP 4.61538
202 2ZE7 AMP 4.61538
203 3IUY AMP 4.61538
204 2ZE7 DST 4.61538
205 4M9Q GNP 4.61538
206 4X8O AP5 4.61538
207 4XSH GSP 4.61538
208 2WW2 SWA 4.61538
209 1QHG ATP 4.61538
210 3VM7 GLC 4.61538
211 3BMN AX3 4.61538
212 4YJ1 ADP 4.61538
213 2FJU GSP 4.61538
214 3BMQ AX5 4.61538
215 4CM4 4NR 4.61538
216 3BMO AX4 4.61538
217 5I0H ADP BEF 4.61538
218 3JQG AX6 4.61538
219 3JQB DX6 4.61538
220 3LXR GDP 4.6875
221 2V57 PRL 4.73684
222 5DI3 GNP 4.86486
223 1M7B GTP 4.8913
224 4U5X GNP 5.05618
225 3A4M ADP 5.12821
226 5W76 GDP 5.12821
227 1MKY GDP 5.12821
228 5BN3 ADP 5.12821
229 1I4D GDP 5.12821
230 4WEI GLC GAL 5.12821
231 5XDR ADP 5.12821
232 2BIF SIN 5.12821
233 3ITJ CIT 5.12821
234 1D2N ANP 5.12821
235 2W2X GSP 5.12821
236 4QRH 0O2 5.12821
237 1UJ2 C5P 5.12821
238 1UJ2 ADP 5.12821
239 1X6V ADP 5.12821
240 3AB3 GDP 5.12821
241 1QF5 RPL 5.12821
242 1QF5 GDP 5.12821
243 4OI4 ATP 5.12821
244 2BIF ANP 5.12821
245 5XGX DAS DLY 5.12821
246 4FCW ADP 5.12821
247 3WXM GTP 5.12821
248 2JHK NAG 5.12821
249 5WXU FLC 5.12821
250 2F9L GDP 5.12821
251 3KTA AP5 5.20231
252 2CJW GDP 5.20833
253 1A4R GNH 5.2356
254 1A4R GDP 5.2356
255 4ITR GDP 5.2356
256 1GRN GDP 5.2356
257 2WMO GTP 5.26316
258 4ZI2 GNP 5.26316
259 4GOJ GNP 5.29101
260 2CHG ANP 5.30973
261 3Q85 GNP 5.32544
262 3F9W SAH 5.42169
263 1FZQ GDP 5.52486
264 1DS6 GDP 5.55556
265 1YZG GDP 5.58659
266 2AWN ADP 5.64103
267 2CBZ ATP 5.64103
268 1YQT ADP 5.64103
269 1LVG ADP 5.64103
270 1SKQ GDP 5.64103
271 5Y6N ADP 5.64103
272 4XGU ADP 5.64103
273 1FP6 ADP 5.64103
274 2RGX AP5 5.64103
275 5X40 ACP 5.64103
276 5LX9 OLB 5.64103
277 3G5N PB2 5.64103
278 1VKJ A3P 5.64103
279 4ZG4 VO4 ADP 5.64103
280 3FVQ ATP 5.64103
281 3QF7 ANP 6
282 4MA7 P2Z 6.14035
283 1JJ7 ADP 6.15385
284 3DC4 ADP 6.15385
285 1SQ5 ADP 6.15385
286 5KSZ GCP 6.15385
287 5VGR GDP 6.15385
288 3THR C2F 6.15385
289 4PJ3 ANP 6.15385
290 6B8B ADP 6.15385
291 1W7J ADP BEF 6.15385
292 4XJ7 ADE 6.15385
293 2IXE ATP 6.15385
294 2HW1 FRU 6.15385
295 1NHX FTB 6.15385
296 1NHX PEP 6.15385
297 1R37 ETX 6.15385
298 2YOH WMJ 6.15385
299 4Q0A 4OA 6.15385
300 1L2T ATP 6.15385
301 4YS0 ADP 6.15385
302 4OHY ANP 6.15385
303 6E1Q CFA 6.15385
304 3REF GDP 6.18557
305 4KBF AMP 6.30137
306 2HT6 GDP 6.32184
307 1Z08 GNP 6.47059
308 4V0K GDP 6.50888
309 4V03 ADP 6.61479
310 3T12 GDP ALF 6.61765
311 1JI0 ATP 6.66667
312 6A20 ADP 6.66667
313 4ZNL BEF ADP 6.66667
314 5UIV ADP 6.66667
315 5MZN ADP 6.66667
316 2OBM ADP 6.66667
317 2IYL GDP 6.66667
318 2D2F ADP 6.66667
319 6C0B MLI 6.66667
320 1LVK MNT BEF 6.66667
321 5IRN ADP 6.66667
322 3TMK T5A 6.66667
323 5ZBR ANP 6.66667
324 5C9P FUC 6.66667
325 1Z83 AP5 6.66667
326 1AKY AP5 6.66667
327 5M7P ADP 6.66667
328 1FNN ADP 6.66667
329 1R4A GNP 6.66667
330 5L2R MLA 6.66667
331 3ZDS OMD 6.66667
332 3AQT RCO 6.66667
333 3WY9 GDP 6.68203
334 3WYA GDP 6.68203
335 1GWN GTP 6.82927
336 1Y3A GDP 6.99088
337 2OM2 GDP 7.07692
338 1G6H ADP 7.17949
339 5YV5 ADP 7.17949
340 2VVG ADP 7.17949
341 2GDJ ANP 7.17949
342 2RCN GDP 7.17949
343 4IEE AGS 7.17949
344 3ZFD ANP 7.17949
345 3B8I OXL 7.17949
346 3DEF GDP 7.17949
347 5VHC BEF ADP 7.17949
348 1CR1 TTP 7.17949
349 3GXO MQA 7.17949
350 3FYH ADP 7.17949
351 5G3Y ADP 7.17949
352 5Z69 AGS 7.17949
353 3Q9L ATP 7.17949
354 1ZPD CIT 7.17949
355 1UPT GTP 7.60234
356 5EE5 GTP 7.60234
357 1DAR GDP 7.69231
358 3TBK ANP 7.69231
359 4R98 GNH 7.69231
360 1CT9 GLN 7.69231
361 5N69 ADP 7.69231
362 6B4K ANP 7.69231
363 4NU0 AP5 7.69231
364 3FIU POP 7.69231
365 1QF9 ALF 7.73196
366 1QF9 ADP 7.73196
367 1QF9 C5P 7.73196
368 1Z2A GDP 7.7381
369 4D81 ADP 7.77385
370 4JLV ADP 7.80669
371 1Z0A GDP 8.04598
372 2XT3 ADP 8.20513
373 3ZIA ATP 8.20513
374 4IHQ ADP 8.20513
375 1G6O ADP 8.20513
376 1V8K ANP 8.20513
377 3ZIA ADP 8.20513
378 1G41 ADP 8.20513
379 1OFH ADP 8.20513
380 3SXN COA 8.20513
381 1KY3 GDP 8.24176
382 2X77 GDP 8.46561
383 1Z06 GNP 8.46561
384 1VG1 GDP 8.64865
385 3CNL GNP 8.71795
386 5U32 GDP 8.71795
387 3EWA ANP 8.71795
388 1VG9 GDP 8.71795
389 1G7S GDP 8.71795
390 1VG0 GDP 8.71795
391 1IWE IMP 8.71795
392 3RLF ANP 8.71795
393 4WZA ACP 8.71795
394 2ZJ5 ADP 8.71795
395 4WZA ADP 8.71795
396 5HCN GCP 9.23077
397 5W7Q GDP 9.23077
398 2D7D ADP 9.23077
399 1Z6T ADP 9.23077
400 1KKR 2AS 9.23077
401 5AK0 8V1 9.23077
402 2XAU ADP 9.23077
403 4HI0 GDP 9.23077
404 6FAA ADP 9.23077
405 4Q1A UDP 9.23077
406 4Q1A 2XZ 9.23077
407 1Y63 ADP 9.23913
408 1CXZ GSP 9.30233
409 5KDO GDP 9.45946
410 1ZD9 GDP 9.57447
411 3Q72 GNP 9.63855
412 2J59 GTP 9.63855
413 1J2J GTP 9.63855
414 1O3Y GTP 9.63855
415 4BQS K2Q 9.65909
416 4BQS ADP 9.65909
417 3DOE GTP 9.69697
418 4DKX GDP 9.74359
419 1W0J ADP 9.74359
420 3E70 GDP 9.74359
421 1U0J ADP 9.74359
422 1R0X ATP 9.74359
423 2FSH ANP 9.74359
424 5E5U MLI 9.74359
425 1W0J ADP BEF 9.74359
426 3EZ2 ADP 9.74359
427 4TMZ GSP 9.74359
428 4NCN GTP 9.74359
429 1RE0 GDP 9.7561
430 1S9D GDP 9.7561
431 1EYQ NAR 9.90991
432 1Z0K GTP 10.1449
433 4YMU ATP 10.2564
434 3NHB ADP 10.2564
435 5YT0 GDP 10.2564
436 5FG3 GDP 10.2564
437 6G14 G4P 10.2564
438 5FTB ANP 10.2564
439 1PUJ GNP 10.2564
440 5FHD ADP ALF 10.2564
441 2QEN ADP 10.2564
442 1GQ2 OXL 10.2564
443 3HQP FDP 10.2564
444 1JAY F42 10.2564
445 1GG6 APL 10.3093
446 1UKZ ADP 10.3448
447 2EFE GNH 10.4972
448 2OG2 MLI 10.7692
449 3B9Q MLI 10.7692
450 4QM7 GTP 10.7692
451 1KK1 GNP 10.7692
452 5WC2 ADP 10.7692
453 3B7G ANP 10.7692
454 3BFV ADP 10.7692
455 5L3R GCP 10.7692
456 1NN5 ANP 10.7692
457 1NN5 2DT 10.7692
458 6AIC AMP 11.2821
459 4KCT FDP 11.2821
460 1HTW ADP 11.3924
461 5O74 GDP 11.6667
462 1G7C 5GP 11.7021
463 1QXA GLY GLY GLY 11.7949
464 4XVU ATP 11.7949
465 3NKV GNP 12
466 5GGN LEC 12.1951
467 3B5J 12D 12.3077
468 2GKS ADP 12.3077
469 4YDS ATP 12.3077
470 4PX9 ADP 12.3077
471 2J0V GDP 12.3077
472 3DZD ADP 12.3077
473 1TQ4 GDP 12.3077
474 6AC9 ANP 12.3077
475 3PCR GTP 12.3457
476 4B47 GDP 12.3967
477 1S8F GDP 12.4294
478 2FH5 GTP 12.4324
479 2A5F GTP 12.5714
480 4U00 ADP 12.8205
481 2PZE ATP 12.8205
482 1NY5 ADP 12.8205
483 2J5V PCA 12.8205
484 1B7T ADP 12.8205
485 1Q3P GLU ALA GLN THR ARG LEU 12.844
486 4KAX GTP 13.0178
487 3GJ8 GDP 13.0435
488 5OEC GDP 13.198
489 4D0N GDP 13.3333
490 5G41 AP5 13.3333
491 2W83 GTP 13.3333
492 4XTR ADP 13.5135
493 4XTR ATP 13.5135
494 3N5C GDP 13.5802
495 1G4U GDP 13.587
496 4CVN ADP 13.8686
497 3RWO GDP 14.0541
498 4WZ6 ATP 14.359
499 1KK8 BEF ADP 14.3885
500 2A5J GDP 14.6597
501 5KUT GDP 14.8148
502 3MD0 GDP 14.8718
503 4BFW ZVW 14.8718
504 1WDT GTP 14.8718
505 5TVM PUT 14.8718
506 1D5C GDP 14.8718
507 1DUV PSQ 14.8718
508 2CDN ADP 14.9254
509 3T5G GDP 15.1316
510 1KSH GDP 15.1316
511 5TB5 GDP 15.3333
512 3CH5 GDP 15.3846
513 5ZB0 ADP 15.3846
514 5ZB0 TYD 15.3846
515 5TAR GDP 15.5405
516 4P3Y GDP 15.8974
517 2HCJ GDP 15.8974
518 4NON GDP 15.8974
519 3U6B GDP 15.8974
520 1D8T GDP 15.8974
521 5JBQ GDP 15.8974
522 4G5G GDP 15.8974
523 3U6K GDP 15.8974
524 2BVN GNP 15.8974
525 4PC3 GDP 15.8974
526 2C9O ADP 15.8974
527 2GCO GNP 15.9204
528 1OIV GDP 16.2304
529 2NCD ADP 16.4103
530 1ZJ6 G3D 16.5775
531 6EBQ FMN 16.875
532 2QN6 GDP 16.9231
533 1YRB GDP 16.9231
534 4DCT GDP 16.9231
535 1F6B GDP 16.9231
536 4RD0 GDP 16.9231
537 5OSW DIU 16.9231
538 1QHH ATP 17.1598
539 1H6H PIB 17.4825
540 3IO3 ADP 17.5287
541 2ZR9 DTP 17.9487
542 1XP8 AGS 17.9487
543 4NE2 SH2 17.9487
544 4NE2 ADP 17.9487
545 2NGR GDP 17.9487
546 5LTJ BEF 18.9744
547 5LTJ ADP 18.9744
548 3R7F CP 18.9744
549 3BER AMP 19.4872
550 4PPF FLC 21.0256
551 1XMV ADP 21.0256
552 1H70 CIR 22.0513
553 2V7Q ATP 22.6027
554 2CK3 ANP 22.6027
555 2V7Q ADP 22.6027
556 2CK3 ADP 22.6027
557 2PL3 ADP 24.1026
558 3CPJ GDP 25.641
559 2BCG GDP 25.641
560 3GJ4 GDP 36.3636
Pocket No.: 2; Query (leader) PDB : 1W4R; Ligand: TTP; Similar sites found with APoc: 19
This union binding pocket(no: 2) in the query (biounit: 1w4r.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5JIY SAM 1.02564
2 2PAR TMP 2.05128
3 4FGC PQ0 3.0303
4 4GKY MAN 3.07692
5 2HIM ASN 3.07692
6 5A7V MAN 4.10256
7 5JCJ 6JM 4.61538
8 5JDI 6JO 4.61538
9 3K5I ADP 5.95534
10 5WHU SIA 6.04027
11 5WHU SIA GAL GLC 6.04027
12 2AJH MET 6.15385
13 2GMV PEP 6.15385
14 5G1N PAL 6.66667
15 1G1T SIA GAL MAG FUC 9.74359
16 3QTP 2PG 11.2821
17 5U5G 7VD 17.4359
18 2GJ3 FAD 17.5
19 3K0T BGC 18.9744
Pocket No.: 3; Query (leader) PDB : 1W4R; Ligand: TTP; Similar sites found with APoc: 22
This union binding pocket(no: 3) in the query (biounit: 1w4r.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 2CHT TSA None
3 5T0K SAM 1.02564
4 2ZPA ADP 3.07692
5 1J6X MET 3.07692
6 3N71 SFG 3.07692
7 3PPQ CHT 3.07692
8 1S9A BEZ 3.58974
9 3QVV A3P 3.58974
10 1OW3 GDP 3.62694
11 2ZQO NGA 3.84615
12 5TZO 7V7 4.25532
13 2OZ5 7XY 4.72973
14 4LH7 NMN 5.64103
15 2QES ADE 5.64103
16 1JT1 MCO 6.15385
17 1IN4 ADP 7.69231
18 6F1J EDG 8.20513
19 1OE0 TTP 11.2821
20 1KJ1 MAN 11.9266
21 4ZDJ UTP 12.3077
22 2GGH NLQ 16.4103
Pocket No.: 4; Query (leader) PDB : 1W4R; Ligand: TTP; Similar sites found with APoc: 14
This union binding pocket(no: 4) in the query (biounit: 1w4r.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2CJP VPR 3.07692
2 4M8D 23J 3.07692
3 3JQQ A2P 4.10256
4 5TPV TYD 4.57516
5 4NAE 1GP 4.61538
6 1LK7 DER 4.61538
7 1WQ1 AF3 5.12821
8 2FNA ADP 5.64103
9 2BHZ MAL 5.64103
10 5E9G GLV 6.15385
11 3SQG COM 6.15385
12 3LN9 FLC 6.47482
13 5KTQ DCP 8.20513
14 3IHB GLU 10.7692
Pocket No.: 5; Query (leader) PDB : 1W4R; Ligand: TTP; Similar sites found with APoc: 41
This union binding pocket(no: 5) in the query (biounit: 1w4r.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 3KIF GDL None
2 4JGP PYR 1.53846
3 2YPI PGA 1.61943
4 1U8Z GDP 1.78571
5 5HV7 RBL 2.5641
6 3URB DPF 3.07692
7 6GKV F2W 3.07692
8 5JLB SAH 3.07692
9 5XC5 GTP 3.40909
10 1ORR CDP 3.58974
11 1NE7 16G 3.58974
12 2Y6P CTP 4.10256
13 3DER ALA LYS 4.10256
14 2BOY BHO 4.61538
15 1OS7 TAU 4.61538
16 1OTH PAO 5.12821
17 6BC0 GSP 5.33333
18 4YC7 GNP 5.52486
19 5IRC GDP 5.64103
20 5T96 79J 6.66667
21 1ML4 PAL 6.66667
22 5JXZ ISJ 6.66667
23 5JXZ ISC 6.66667
24 2EW1 GNP 6.96517
25 2CI5 HCS 7.17949
26 5IKI A9H 7.69231
27 4LHW GNP 8.04598
28 1QB7 ADE 8.20513
29 4Y9T PA1 8.20513
30 6CRK GDP 8.20513
31 3K1X DBX 8.46154
32 2XTN GTP 8.71795
33 5Z2M GTP 9.09091
34 2I6U CP 9.23077
35 3X01 AMP 9.74359
36 1EQ2 ADQ 10.2564
37 5Z54 0HZ 10.2564
38 5UQW GDP 11.1111
39 3SFV GDP 11.6022
40 1FQJ GDP 12.2449
41 2I4I AMP 12.3077
Pocket No.: 6; Query (leader) PDB : 1W4R; Ligand: TTP; Similar sites found with APoc: 10
This union binding pocket(no: 6) in the query (biounit: 1w4r.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2QG6 NMN None
2 1UCD U5P 3.68421
3 4U8P UDP 4.10256
4 4U8P FDA 4.10256
5 1LPD ADE 4.61538
6 1VHZ APR 6.06061
7 2DC1 CIT 6.15385
8 4WN0 G3P 9.23077
9 4OEE GNX IDY 10.3226
10 1LTT GAL BGC 14.5631
Pocket No.: 7; Query (leader) PDB : 1W4R; Ligand: TTP; Similar sites found with APoc: 12
This union binding pocket(no: 7) in the query (biounit: 1w4r.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 5F1V 3VN 1.53846
2 5HV0 AKG 2.5641
3 6A5K SAM 2.5641
4 5E9H MLI 3.07692
5 6GI2 8SW 3.58974
6 2QJN KDG 3.58974
7 6BMN PAP 3.72881
8 5CZY SAM 4.10256
9 5CX8 3DO 4.61538
10 5ZYN SIN 5.64103
11 3KDM TES 6.66667
12 5C1M CLR 12.8
Pocket No.: 8; Query (leader) PDB : 1W4R; Ligand: TTP; Similar sites found with APoc: 5
This union binding pocket(no: 8) in the query (biounit: 1w4r.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2EAE LBT 2.5641
2 2QQD AG2 3.57143
3 5YW5 ADE 6.70391
4 2C3H GLC GLC 7.14286
5 6BGC BGC 11.2821
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