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Receptor
PDB id Resolution Class Description Source Keywords
2QQE 1.9 Å EC: 2.7.1.21 THYMIDINE KINASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH THYMIDINE THERMOTOGA MARITIMA TMTK IN COMPLEX WITH THYMIDINE CLOSE CONFORMATION ATP- BINDING CYTOPLASM DNA SYNTHESIS KINASE NUCLEOTIDE- BINDING TRANSFERASE
Ref.: QUATERNARY STRUCTURE CHANGE AS A MECHANISM FOR THE REGULATION OF THYMIDINE KINASE 1-LIKE ENZYMES. STRUCTURE V. 15 1555 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
THM A:501;
B:502;
Valid;
Valid;
none;
none;
submit data
242.229 C10 H14 N2 O5 CC1=C...
ZN A:400;
B:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QQ0 1.5 Å EC: 2.7.1.21 THYMIDINE KINASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH THYMIDINE + APPNHP THERMOTOGA MARITIMA THYMIDINE KINASE TMTK APPNHP OPEN-CONFORMATION ATP- BINDING CYTOPLASM DNA SYNTHESIS NUCLEOTIDE-BINDING TRANSFERASE
Ref.: QUATERNARY STRUCTURE CHANGE AS A MECHANISM FOR THE REGULATION OF THYMIDINE KINASE 1-LIKE ENZYMES. STRUCTURE V. 15 1555 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2ORW - 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
2 2QQ0 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 2QQE - THM C10 H14 N2 O5 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 8 families.
1 2ORW - 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
2 2QQ0 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 2QQE - THM C10 H14 N2 O5 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: THM; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 THM 1 1
2 LLT 1 1
3 0DN 0.777778 0.923077
4 TXS 0.704918 0.869565
5 TMP 0.693548 0.859155
6 T3S 0.68254 0.869565
7 TYD 0.641791 0.873239
8 ID2 0.637931 0.910448
9 T3P 0.629032 0.84507
10 TBD 0.623188 0.837838
11 AZZ 0.609375 0.857143
12 TTP 0.605634 0.873239
13 BVD 0.587302 0.953846
14 BTD 0.550725 0.873239
15 3DT 0.540984 0.953846
16 NYM 0.536232 0.835616
17 FDM 0.536232 0.8
18 THP 0.528571 0.84507
19 WMJ 0.525 0.78481
20 DAU 0.52381 0.863014
21 TLO 0.518519 0.849315
22 DT DT DT 0.518519 0.847222
23 ATM 0.513514 0.779221
24 DUR 0.508197 0.952381
25 0TT 0.506494 0.926471
26 3YN 0.5 0.837838
27 1JB 0.494118 0.837838
28 TDX 0.494118 0.849315
29 3R2 0.494118 0.826667
30 TRH 0.494118 0.837838
31 18T 0.494118 0.837838
32 MCY 0.492308 0.925373
33 74W 0.488636 0.775
34 74X 0.488636 0.775
35 DT DT DT DT DT 0.488372 0.824324
36 ATY 0.487179 0.824324
37 DWN 0.482759 0.815789
38 T3Q 0.482759 0.815789
39 T3F 0.482759 0.815789
40 5HU 0.478873 0.873239
41 DT DT PST 0.477273 0.802632
42 T46 0.477273 0.837838
43 0N2 0.477273 0.805195
44 AZD 0.475 0.792208
45 MMF 0.47191 0.815789
46 0FX 0.47191 0.815789
47 UFP 0.464789 0.786667
48 2DT 0.463768 0.833333
49 QDM 0.461538 0.805195
50 BRU 0.458333 0.786667
51 FNF 0.456522 0.826667
52 AKM 0.456522 0.775
53 1YF 0.456522 0.826667
54 JHZ 0.456522 0.794872
55 5IU 0.452055 0.786667
56 4TG 0.451613 0.826667
57 BVP 0.435897 0.821918
58 T5A 0.431373 0.756098
59 TMC 0.426471 0.882353
60 ABT 0.425287 0.772152
61 DCZ 0.424242 0.880597
62 LDC 0.424242 0.880597
63 QUH 0.42 0.815789
64 FUH 0.42 0.815789
65 4TA 0.419048 0.743902
66 D3T 0.417722 0.847222
67 DT ME6 DT 0.415842 0.802632
68 5MD 0.411765 0.953125
69 DPB 0.407407 0.783784
70 TPE 0.406593 0.802632
71 5BT 0.405797 0.84507
72 B86 0.405797 0.84507
73 ADS THS THS THS 0.40367 0.738095
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QQ0; Ligand: TMP; Similar sites found with APoc: 589
This union binding pocket(no: 1) in the query (biounit: 2qq0.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 3Q72 GNP None
2 2CJW GDP None
3 1BO4 COA None
4 3LN9 FLC None
5 2C3H GLC GLC None
6 5IRR GSP None
7 2WKQ GTP None
8 2ZFZ ARG None
9 3Q85 GNP 1.18343
10 4B47 GDP 1.63043
11 5EXT ADP 1.63043
12 4KVA GTP 1.63043
13 2ZPA ADP 1.63043
14 3RWO GDP 1.63043
15 3PN1 IVH 1.63043
16 1E96 GTP 1.63043
17 1EK0 GNP 1.76471
18 1F2U ATP 2.02703
19 4LPS GDP 2.17391
20 2FNA ADP 2.17391
21 1KMQ GNP 2.17391
22 2ZX2 RAM 2.17391
23 4BQS ADP 2.27273
24 5XC5 GTP 2.27273
25 1Z08 GNP 2.35294
26 5OQW A4E 2.3622
27 1HTW ADP 2.53165
28 1F9V ADP 2.71739
29 1SKQ GDP 2.71739
30 4YDS ATP 2.71739
31 4QOS ADP 2.71739
32 5HCN GCP 2.71739
33 4WEI GLC GAL 2.71739
34 2J0V GDP 2.71739
35 5BQ5 ADP BEF 2.71739
36 1RYH GNP 2.71739
37 4M9Q GNP 2.71739
38 2W2X GSP 2.71739
39 3OBT SLB 2.71739
40 2OM2 GDP 2.71739
41 1Y3A GDP 2.71739
42 3Q9L ATP 2.71739
43 1G4U GDP 2.71739
44 5NM7 GLY 2.71739
45 1GP2 GDP 2.71739
46 1FQJ GDP 2.71739
47 1FQK GDP 2.71739
48 2VWT PYR 2.71739
49 3ITJ CIT 2.71739
50 1CT9 GLN 2.71739
51 1FQK ALF 2.71739
52 1FQJ ALF 2.71739
53 3SBD GNP 2.71739
54 4NE2 SH2 2.71739
55 4NE2 ADP 2.71739
56 4BFW ZVW 2.71739
57 1HE1 GDP 2.84091
58 1HE1 AF3 2.84091
59 3F9W SAH 3.01205
60 5XKR BZE 3.14465
61 4MA6 28E 3.18471
62 4Q1A UDP 3.21429
63 4Q1A 2XZ 3.21429
64 3DC4 ADP 3.26087
65 4NON GDP 3.26087
66 2X77 GDP 3.26087
67 1V8K ANP 3.26087
68 1SQ5 ADP 3.26087
69 2QZ4 ADP 3.26087
70 4D81 ADP 3.26087
71 2XTN GTP 3.26087
72 6B4K ANP 3.26087
73 4H1V GNP 3.26087
74 1M7B GTP 3.26087
75 1GWN GTP 3.26087
76 2BCG GDP 3.26087
77 2JAQ DCP 3.26087
78 4HUT ATP 3.26087
79 5G1N PAL 3.26087
80 3FIU POP 3.26087
81 3H86 AP5 3.26087
82 1KO8 6PG 3.42857
83 4QM7 GTP 3.50877
84 4V0K GDP 3.5503
85 3A4M ADP 3.80435
86 1I4D GDP 3.80435
87 5Y6N ADP 3.80435
88 2IS6 ADP 3.80435
89 1G7S GDP 3.80435
90 5IRN ADP 3.80435
91 5KSP GDP 3.80435
92 5KSZ GCP 3.80435
93 4P4T GDP 3.80435
94 1G3Q ADP 3.80435
95 4KBF AMP 3.80435
96 4JLV ADP 3.80435
97 1NY5 ADP 3.80435
98 1OTH PAO 3.80435
99 5AK0 8V1 3.80435
100 6DEF GCP 3.80435
101 5HGZ MLA 3.80435
102 1Z06 GNP 3.80435
103 5WJ6 B4A 3.80435
104 4A8H PUW 3.80435
105 3T34 GDP 3.80435
106 4USI AKG 3.8961
107 1S8F GDP 3.9548
108 1TLG GAL 4
109 4KAX GTP 4.14201
110 2W83 GTP 4.24242
111 1OXV ANP 4.34783
112 1M7G AV2 4.34783
113 3BOS CDP 4.34783
114 1SVI GDP 4.34783
115 3DEF GDP 4.34783
116 2WIC GNP 4.34783
117 1G6O ADP 4.34783
118 3A1S GDP 4.34783
119 5L3V GDP 4.34783
120 5H7K GDP 4.34783
121 4E03 ADP 4.34783
122 5H7J GCP 4.34783
123 4R43 GDP 4.34783
124 5HR5 ADP 4.34783
125 2D7D ADP 4.34783
126 4HI0 GDP 4.34783
127 4ZI2 GNP 4.34783
128 4GOJ GNP 4.34783
129 1DUV PSQ 4.34783
130 5I0H ADP BEF 4.34783
131 5C9P FUC 4.34783
132 3HQP FDP 4.34783
133 1M7G ADP 4.34783
134 2EW1 GNP 4.34783
135 4KCT FDP 4.34783
136 1M7G ADX 4.34783
137 3VPB GLU 4.34783
138 5HV7 RBL 4.34783
139 3TKL GTP 4.34783
140 3KC1 2T6 4.34783
141 3IUY AMP 4.34783
142 4XOI GTP 4.34783
143 2QG6 NMN 4.34783
144 1ML4 PAL 4.34783
145 1FZQ GDP 4.41989
146 4OIT MAN 4.42478
147 3IIJ ADP 4.44444
148 5O74 GDP 4.44444
149 3NKV GNP 4.57143
150 2GJ8 ALF GDP 4.65116
151 3RAB GNP 4.73373
152 2ZTS ADP 4.78088
153 1JJV ATP 4.8913
154 5M04 GDP 4.8913
155 1Y63 ADP 4.8913
156 1U0J ADP 4.8913
157 4IHQ ADP 4.8913
158 1F6B GDP 4.8913
159 2CE7 ADP 4.8913
160 3T1O GDP 4.8913
161 4HSE ADP 4.8913
162 3TBK ANP 4.8913
163 2FH5 GTP 4.8913
164 5VGR GDP 4.8913
165 2FAH GDP 4.8913
166 1Z6T ADP 4.8913
167 3EZ2 ADP 4.8913
168 3T12 GDP ALF 4.8913
169 4NCN GTP 4.8913
170 4TMZ GSP 4.8913
171 2ZE7 AMP 4.8913
172 4IDN GNP 4.8913
173 2ZE7 DST 4.8913
174 4OHY ANP 4.8913
175 1D2N ANP 4.8913
176 1QXA GLY GLY GLY 4.8913
177 4OI4 ATP 4.8913
178 5K5Z ANP 4.8913
179 1KY3 GDP 4.94506
180 5JCZ GDP 5.02793
181 1NRJ GTP 5.06329
182 4JLS 3ZE 5.26316
183 5KAX RHQ 5.42169
184 1VJE MSE 5.42169
185 2AWN ADP 5.43478
186 2Y65 ADP 5.43478
187 2OG2 MLI 5.43478
188 3B5J 12D 5.43478
189 3B9Q MLI 5.43478
190 1D2E GDP 5.43478
191 1MKY GDP 5.43478
192 4DKX GDP 5.43478
193 3GJ0 GDP 5.43478
194 3AQ4 GDP 5.43478
195 3GJ4 GDP 5.43478
196 2WJG GDP 5.43478
197 1ZJ6 G3D 5.43478
198 3GJ8 GDP 5.43478
199 3GJ5 GDP 5.43478
200 5BXQ GDP 5.43478
201 1VG1 GDP 5.43478
202 1VG9 GDP 5.43478
203 4PX9 ADP 5.43478
204 1VG0 GDP 5.43478
205 4A4Z ANP 5.43478
206 3REF GDP 5.43478
207 5LLB 6YZ 5.43478
208 1DNP MHF 5.43478
209 5UWH GNP 5.43478
210 5DIF GNP 5.43478
211 5UWQ GNP 5.43478
212 6CIT GNP 5.43478
213 1IBR GNP 5.43478
214 5UWU GNP 5.43478
215 5UWI GNP 5.43478
216 5UWT GNP 5.43478
217 5UWR GNP 5.43478
218 5UWW GNP 5.43478
219 5UWJ GNP 5.43478
220 1EKX PAL 5.43478
221 5L3R GCP 5.43478
222 5LEF GTP 5.43478
223 6AR9 3L4 5.43478
224 5E5U MLI 5.43478
225 1VG8 GNP 5.43478
226 4HEQ FMN 5.47945
227 1KJ1 MAN 5.50459
228 1YZG GDP 5.58659
229 2Y8E GNP 5.58659
230 4D0G GTP 5.71429
231 2A5F GTP 5.71429
232 1Z0A GDP 5.74713
233 4LHW GNP 5.74713
234 4YLG GDP 5.78035
235 5NUL FMN 5.7971
236 1YZQ GNP 5.88235
237 1Z2A GDP 5.95238
238 4U00 ADP 5.97826
239 1BG2 ADP 5.97826
240 3W5J GDP 5.97826
241 3COB ADP 5.97826
242 2HCJ GDP 5.97826
243 4J0Q GDP 5.97826
244 4P3Y GDP 5.97826
245 3U6B GDP 5.97826
246 3TK1 GDP 5.97826
247 1YRB GDP 5.97826
248 1D8T GDP 5.97826
249 5JBQ GDP 5.97826
250 4G5G GDP 5.97826
251 5W7Q GDP 5.97826
252 1DAR GDP 5.97826
253 3U6K GDP 5.97826
254 2D2F ADP 5.97826
255 4IEE AGS 5.97826
256 5WC2 ADP 5.97826
257 5KUT GDP 5.97826
258 5FHD ADP ALF 5.97826
259 5FTB ANP 5.97826
260 2A5J GDP 5.97826
261 2BVN GNP 5.97826
262 4PC3 GDP 5.97826
263 5N69 ADP 5.97826
264 5L3W GDP 5.97826
265 1L2T ATP 5.97826
266 6C90 ADP 5.97826
267 4BAS GNP 5.97826
268 2A9K GDP 5.97826
269 6CRK GDP 5.97826
270 3MBI HSX 5.97826
271 3B8I OXL 5.97826
272 5L3S G 5.97826
273 1F5N GNP 5.97826
274 5L3S GNP 5.97826
275 1WOG 16D 5.97826
276 4ZG4 VO4 ADP 5.97826
277 2BME GNP 5.97826
278 2OFW ADX 5.97826
279 4TL6 ANP 5.97826
280 2WJH GDP 6.0241
281 2WJH FLC 6.0241
282 1MR3 G3D 6.07735
283 1RE0 GDP 6.09756
284 3N5C GDP 6.17284
285 1D5C GDP 6.17284
286 3PCR GTP 6.17284
287 3KTA AP5 6.35838
288 1Z0K GTP 6.39535
289 1XEX ATP 6.39535
290 3E70 GDP 6.40244
291 1G16 GDP 6.47059
292 3WVC FEG 6.47059
293 1G6H ADP 6.52174
294 2CBZ ATP 6.52174
295 2PZE ATP 6.52174
296 4WZ6 ATP 6.52174
297 2WHX ADP 6.52174
298 5TSH ADP 6.52174
299 5GVR LMR 6.52174
300 3CNL GNP 6.52174
301 5TSH ANP 6.52174
302 5UIV ADP 6.52174
303 1S9D GDP 6.52174
304 2V7Q ATP 6.52174
305 2CK3 ANP 6.52174
306 1W0J ADP 6.52174
307 4TTQ ATP 6.52174
308 2JLR ANP 6.52174
309 5Z69 AGS 6.52174
310 3EC1 GDP 6.52174
311 5MZN ADP 6.52174
312 5TB5 GDP 6.52174
313 2V7Q ADP 6.52174
314 4XGU ADP 6.52174
315 5X40 ACP 6.52174
316 3AB3 GDP 6.52174
317 5TAR GDP 6.52174
318 2CHG ANP 6.52174
319 1NJF AGS 6.52174
320 1CR1 TTP 6.52174
321 1W0J ADP BEF 6.52174
322 1NJF ADP 6.52174
323 1SVM ATP 6.52174
324 2VB6 ADP BEF 6.52174
325 2CK3 ADP 6.52174
326 1W5T ANP 6.52174
327 1RYO OXL 6.52174
328 3K5I AIR 6.52174
329 5H4S RAM 6.52174
330 3TMK T5A 6.52174
331 5UQW GDP 6.52174
332 1ZCB GDP 6.52174
333 1OIX GDP 6.52174
334 1W5T ADP 6.52174
335 1U8Z GDP 6.54762
336 1GXU 2HP 6.59341
337 2HV8 GTP 6.97674
338 4PPF FLC 7.06522
339 1T5C ADP 7.06522
340 4KFU ACP 7.06522
341 4YMU ATP 7.06522
342 1JI0 ATP 7.06522
343 2ZR9 DTP 7.06522
344 1XMV ADP 7.06522
345 4ZNL BEF ADP 7.06522
346 3PQC GDP 7.06522
347 3MD0 GDP 7.06522
348 2RCN GDP 7.06522
349 4D0N GDP 7.06522
350 1R0X ATP 7.06522
351 2PL3 ADP 7.06522
352 3ZFD ANP 7.06522
353 5LB3 ADP 7.06522
354 1ZD9 GDP 7.06522
355 2GCO GNP 7.06522
356 3DZD ADP 7.06522
357 4R2I ANP 7.06522
358 5HPY GDP 7.06522
359 1OW3 GDP 7.06522
360 5G3Y ADP 7.06522
361 5IRC GDP 7.06522
362 2GCN GDP 7.06522
363 6BCB GSP 7.06522
364 6BCA GSP 7.06522
365 2BIF SIN 7.06522
366 2QTV GNP 7.06522
367 2F5X ASP 7.06522
368 2YOH WMJ 7.06522
369 4XDZ 40E 7.06522
370 4XVU ATP 7.06522
371 4K81 GTP 7.06522
372 1CXZ GSP 7.14286
373 5E95 GDP 7.2165
374 5WLB GNP 7.22892
375 2PEZ DAT 7.26257
376 4XSH GSP 7.26257
377 5MVR ADP 7.40741
378 5H67 ATP 7.5
379 3KMT SAH 7.56302
380 3NHB ADP 7.6087
381 1XP8 AGS 7.6087
382 4LC1 GDP 7.6087
383 2DPY ADP 7.6087
384 2OBM ADP 7.6087
385 3LXR GDP 7.6087
386 6B8B ADP 7.6087
387 1VHT BA3 7.6087
388 3HU3 AGS 7.6087
389 1UJ2 C5P 7.6087
390 3R7F CP 7.6087
391 1VKJ A3P 7.6087
392 2I6U CP 7.6087
393 1UJ2 ADP 7.6087
394 1QO0 BMD 7.6087
395 2O0J ADP 7.6087
396 2XTZ GSP 7.6087
397 2X7I CIT 7.6087
398 2UZI GTP 7.89474
399 2KIN ADP 8
400 6BC0 GSP 8
401 2HT6 GDP 8.04598
402 4XTR ADP 8.10811
403 4XTR ATP 8.10811
404 1RRC ADP 8.15217
405 1LVG ADP 8.15217
406 2GDJ ANP 8.15217
407 2ZFI ADP 8.15217
408 5VHC BEF ADP 8.15217
409 2G77 GDP 8.15217
410 1ION ADP 8.15217
411 2B8W ALF 5GP 8.15217
412 3SFV GDP 8.15217
413 4LJ9 ACP 8.15217
414 3QKT ANP 8.15217
415 2V5K OXM 8.15217
416 4B5W PYR 8.15217
417 4RZ3 ADP 8.15217
418 4P86 5GP 8.19672
419 3P4X ADP 8.23245
420 2EFE GNH 8.28729
421 6A20 ADP 8.69565
422 5W75 GDP 8.69565
423 6C0B MLI 8.69565
424 1R6B ADP 8.69565
425 5ZBR ANP 8.69565
426 5JCP GDP ALF 8.69565
427 4V03 ADP 8.69565
428 5VJN IR8 8.69565
429 1K6M AGS 8.69565
430 1X6V ADP 8.69565
431 2F9L GDP 8.69565
432 5E13 5J9 8.69565
433 3WXM GTP 8.72483
434 5DI3 GNP 8.74525
435 4P83 U5P 8.79121
436 1TU3 GNP 8.86076
437 3VMF GTP 8.86364
438 1OIV GDP 8.90052
439 1KAO GDP 8.98204
440 1OFH ADP 9.1954
441 1GOJ ADP 9.23913
442 1B0U ATP 9.23913
443 3UIE ANP 9.23913
444 2CDN ADP 9.23913
445 2QEN ADP 9.23913
446 3B7G ANP 9.23913
447 1H65 GDP 9.23913
448 3CPJ GDP 9.23913
449 1W7J ADP BEF 9.23913
450 1IN4 ADP 9.23913
451 5KOD IAC 9.23913
452 5KDO GDP 9.45946
453 1XPJ TLA 9.52381
454 1GOT GDP 9.58904
455 1YQT ADP 9.78261
456 1G41 ADP 9.78261
457 2C77 GNP 9.78261
458 2GK6 ADP 9.78261
459 2C78 GNP 9.78261
460 4PJ3 ANP 9.78261
461 2OZE AGS 9.78261
462 3EWA ANP 9.93789
463 4CVN ADP 10.219
464 5U32 GDP 10.3261
465 2GKS ADP 10.3261
466 5CK5 GDP 10.3261
467 5W76 GDP 10.3261
468 4DCT GDP 10.3261
469 2NGR GDP 10.3261
470 4DID GDP 10.3261
471 5XDR ADP 10.3261
472 1TQ4 GDP 10.3261
473 2WMO GTP 10.3261
474 1A4R GNH 10.3261
475 1A4R GDP 10.3261
476 1GRN GDP 10.3261
477 4ITR GDP 10.3261
478 1NN5 2DT 10.3261
479 1NN5 ANP 10.3261
480 6FHQ DE5 10.3448
481 4YC7 GNP 10.4972
482 2W58 ADP 10.8696
483 2XT3 ADP 10.8696
484 1PUJ GNP 10.8696
485 2FJU GSP 10.8696
486 3FYH ADP 10.8696
487 5M7P ADP 10.8696
488 4F9U PBD 10.8696
489 3BER AMP 10.8696
490 3KUD GDP 11.1111
491 4KVG GTP 11.3095
492 5FG3 GDP 11.413
493 4FCW ADP 11.413
494 4J8O SAH 11.413
495 1DS6 GDP 11.6667
496 3WYA GDP 11.9565
497 5LTJ ADP 11.9565
498 1XKV ATP 11.9565
499 5LTJ BEF 11.9565
500 3RLF ANP 11.9565
501 1FP6 ADP 11.9565
502 1NST A3P 11.9565
503 1M2O GNP 11.9565
504 3GFS FMN 12.069
505 3LRE ADP 12.5
506 5YT0 GDP 12.5
507 2IYL GDP 12.5
508 4LYA ATP 12.5
509 4YJ1 ADP 12.5
510 2XAU ADP 12.5
511 6FAA ADP 12.5
512 2IXE ATP 12.5
513 2FSH ANP 12.5
514 3A8H TAY 12.5
515 3GJX GTP 12.5
516 5YW5 ADE 12.8492
517 1KK1 GNP 13.0435
518 4R98 GNH 13.0435
519 3RC3 ANP 13.0435
520 2J5V PCA 13.0435
521 3FVQ ATP 13.0435
522 5ZB0 ADP 13.0435
523 5ZB0 TYD 13.0435
524 3M1I GTP 13.0435
525 1Z0F GDP 13.4078
526 3H4S ADP 13.587
527 4FRZ ADP 13.587
528 3BFV ADP 13.587
529 1YTM ATP 13.587
530 3FKQ ATP 13.587
531 1OE0 TTP 13.587
532 5OEC GDP 13.6612
533 3T5G GDP 13.8122
534 6BSX GDP 14.0449
535 5J1S ATP 14.1304
536 3GJ7 GDP 14.2857
537 4AG5 ADP 14.6739
538 2C9O ADP 14.6739
539 3KJI ADP 14.6739
540 1YVD GNP 14.7929
541 5UWO GNP 15
542 5YV5 ADP 15.2174
543 5LX9 OLB 15.2174
544 4U5X GNP 15.7303
545 5DHF GNP 15.7895
546 1O3Y GTP 16.2651
547 2J59 GTP 16.2651
548 1J2J GTP 16.2651
549 2NCD ADP 16.3043
550 5BN3 ADP 16.3043
551 1QHH ATP 16.3043
552 5GOE GDP 16.8478
553 1WDT GTP 16.8478
554 1G7C 5GP 16.8478
555 3DKP ADP 17.3913
556 5Z2M GTP 17.3913
557 1UPT GTP 17.5439
558 5EE5 GTP 17.5439
559 5ZXD ATP 17.9348
560 5IFS ADP 17.9348
561 1FNN ADP 17.9348
562 3QF7 ANP 18
563 3P13 RIP 18.0556
564 1R4A GNP 18.1818
565 1KSH GDP 19.0217
566 3DOE GTP 19.0217
567 6G14 G4P 19.5652
568 1B7T ADP 19.5652
569 1KK8 BEF ADP 19.5652
570 1WF3 GNP 19.5652
571 3FWY ADP 19.5652
572 1Z0N BCD 19.7917
573 1IHU ADP 20.1087
574 3ZIA ATP 20.6349
575 3ZIA ADP 20.6349
576 4QRH 0O2 20.6522
577 1QHG ATP 21.1957
578 2VVG ADP 21.7391
579 3IO3 ADP 21.7391
580 1NF3 GNP 21.7391
581 5UPK GNP 21.7391
582 3WY9 GDP 21.875
583 3MJH GTP 23.5294
584 1JJ7 ADP 25
585 4RD0 GDP 25
586 2QN6 GDP 25.5435
587 3CH5 GDP 26.9231
588 3BC1 GNP 32.0652
589 3GJ3 GDP 36.3636
Pocket No.: 2; Query (leader) PDB : 2QQ0; Ligand: TMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2qq0.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2QQ0; Ligand: ADP; Similar sites found with APoc: 589
This union binding pocket(no: 3) in the query (biounit: 2qq0.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 3Q72 GNP None
2 2CJW GDP None
3 1BO4 COA None
4 3LN9 FLC None
5 2C3H GLC GLC None
6 5IRR GSP None
7 2WKQ GTP None
8 2ZFZ ARG None
9 3Q85 GNP 1.18343
10 4B47 GDP 1.63043
11 5EXT ADP 1.63043
12 4KVA GTP 1.63043
13 2ZPA ADP 1.63043
14 3RWO GDP 1.63043
15 3PN1 IVH 1.63043
16 1E96 GTP 1.63043
17 1EK0 GNP 1.76471
18 1F2U ATP 2.02703
19 4LPS GDP 2.17391
20 2FNA ADP 2.17391
21 1KMQ GNP 2.17391
22 2ZX2 RAM 2.17391
23 4BQS ADP 2.27273
24 5XC5 GTP 2.27273
25 1Z08 GNP 2.35294
26 5OQW A4E 2.3622
27 1HTW ADP 2.53165
28 1F9V ADP 2.71739
29 1SKQ GDP 2.71739
30 4YDS ATP 2.71739
31 4QOS ADP 2.71739
32 5HCN GCP 2.71739
33 4WEI GLC GAL 2.71739
34 2J0V GDP 2.71739
35 5BQ5 ADP BEF 2.71739
36 1RYH GNP 2.71739
37 4M9Q GNP 2.71739
38 2W2X GSP 2.71739
39 3OBT SLB 2.71739
40 2OM2 GDP 2.71739
41 1Y3A GDP 2.71739
42 3Q9L ATP 2.71739
43 1G4U GDP 2.71739
44 5NM7 GLY 2.71739
45 1GP2 GDP 2.71739
46 1FQJ GDP 2.71739
47 1FQK GDP 2.71739
48 2VWT PYR 2.71739
49 3ITJ CIT 2.71739
50 1CT9 GLN 2.71739
51 1FQK ALF 2.71739
52 1FQJ ALF 2.71739
53 3SBD GNP 2.71739
54 4NE2 SH2 2.71739
55 4NE2 ADP 2.71739
56 4BFW ZVW 2.71739
57 1HE1 GDP 2.84091
58 1HE1 AF3 2.84091
59 3F9W SAH 3.01205
60 5XKR BZE 3.14465
61 4MA6 28E 3.18471
62 4Q1A UDP 3.21429
63 4Q1A 2XZ 3.21429
64 3DC4 ADP 3.26087
65 4NON GDP 3.26087
66 2X77 GDP 3.26087
67 1V8K ANP 3.26087
68 1SQ5 ADP 3.26087
69 2QZ4 ADP 3.26087
70 4D81 ADP 3.26087
71 2XTN GTP 3.26087
72 6B4K ANP 3.26087
73 4H1V GNP 3.26087
74 1M7B GTP 3.26087
75 1GWN GTP 3.26087
76 2BCG GDP 3.26087
77 2JAQ DCP 3.26087
78 4HUT ATP 3.26087
79 5G1N PAL 3.26087
80 3FIU POP 3.26087
81 3H86 AP5 3.26087
82 1KO8 6PG 3.42857
83 4QM7 GTP 3.50877
84 4V0K GDP 3.5503
85 3A4M ADP 3.80435
86 1I4D GDP 3.80435
87 5Y6N ADP 3.80435
88 2IS6 ADP 3.80435
89 1G7S GDP 3.80435
90 5IRN ADP 3.80435
91 5KSP GDP 3.80435
92 5KSZ GCP 3.80435
93 4P4T GDP 3.80435
94 1G3Q ADP 3.80435
95 4KBF AMP 3.80435
96 4JLV ADP 3.80435
97 1NY5 ADP 3.80435
98 1OTH PAO 3.80435
99 5AK0 8V1 3.80435
100 6DEF GCP 3.80435
101 5HGZ MLA 3.80435
102 1Z06 GNP 3.80435
103 5WJ6 B4A 3.80435
104 4A8H PUW 3.80435
105 3T34 GDP 3.80435
106 4USI AKG 3.8961
107 1S8F GDP 3.9548
108 1TLG GAL 4
109 4KAX GTP 4.14201
110 2W83 GTP 4.24242
111 1OXV ANP 4.34783
112 1M7G AV2 4.34783
113 3BOS CDP 4.34783
114 1SVI GDP 4.34783
115 3DEF GDP 4.34783
116 2WIC GNP 4.34783
117 1G6O ADP 4.34783
118 3A1S GDP 4.34783
119 5L3V GDP 4.34783
120 5H7K GDP 4.34783
121 4E03 ADP 4.34783
122 5H7J GCP 4.34783
123 4R43 GDP 4.34783
124 5HR5 ADP 4.34783
125 2D7D ADP 4.34783
126 4HI0 GDP 4.34783
127 4ZI2 GNP 4.34783
128 4GOJ GNP 4.34783
129 1DUV PSQ 4.34783
130 5I0H ADP BEF 4.34783
131 5C9P FUC 4.34783
132 3HQP FDP 4.34783
133 1M7G ADP 4.34783
134 2EW1 GNP 4.34783
135 4KCT FDP 4.34783
136 1M7G ADX 4.34783
137 3VPB GLU 4.34783
138 5HV7 RBL 4.34783
139 3TKL GTP 4.34783
140 3KC1 2T6 4.34783
141 3IUY AMP 4.34783
142 4XOI GTP 4.34783
143 2QG6 NMN 4.34783
144 1ML4 PAL 4.34783
145 1FZQ GDP 4.41989
146 4OIT MAN 4.42478
147 3IIJ ADP 4.44444
148 5O74 GDP 4.44444
149 3NKV GNP 4.57143
150 2GJ8 ALF GDP 4.65116
151 3RAB GNP 4.73373
152 2ZTS ADP 4.78088
153 1JJV ATP 4.8913
154 5M04 GDP 4.8913
155 1Y63 ADP 4.8913
156 1U0J ADP 4.8913
157 4IHQ ADP 4.8913
158 1F6B GDP 4.8913
159 2CE7 ADP 4.8913
160 3T1O GDP 4.8913
161 4HSE ADP 4.8913
162 3TBK ANP 4.8913
163 2FH5 GTP 4.8913
164 5VGR GDP 4.8913
165 2FAH GDP 4.8913
166 1Z6T ADP 4.8913
167 3EZ2 ADP 4.8913
168 3T12 GDP ALF 4.8913
169 4NCN GTP 4.8913
170 4TMZ GSP 4.8913
171 2ZE7 AMP 4.8913
172 4IDN GNP 4.8913
173 2ZE7 DST 4.8913
174 4OHY ANP 4.8913
175 1D2N ANP 4.8913
176 1QXA GLY GLY GLY 4.8913
177 4OI4 ATP 4.8913
178 5K5Z ANP 4.8913
179 1KY3 GDP 4.94506
180 5JCZ GDP 5.02793
181 1NRJ GTP 5.06329
182 4JLS 3ZE 5.26316
183 5KAX RHQ 5.42169
184 1VJE MSE 5.42169
185 2AWN ADP 5.43478
186 2Y65 ADP 5.43478
187 2OG2 MLI 5.43478
188 3B5J 12D 5.43478
189 3B9Q MLI 5.43478
190 1D2E GDP 5.43478
191 1MKY GDP 5.43478
192 4DKX GDP 5.43478
193 3GJ0 GDP 5.43478
194 3AQ4 GDP 5.43478
195 3GJ4 GDP 5.43478
196 2WJG GDP 5.43478
197 1ZJ6 G3D 5.43478
198 3GJ8 GDP 5.43478
199 3GJ5 GDP 5.43478
200 5BXQ GDP 5.43478
201 1VG1 GDP 5.43478
202 1VG9 GDP 5.43478
203 4PX9 ADP 5.43478
204 1VG0 GDP 5.43478
205 4A4Z ANP 5.43478
206 3REF GDP 5.43478
207 5LLB 6YZ 5.43478
208 1DNP MHF 5.43478
209 5UWH GNP 5.43478
210 5DIF GNP 5.43478
211 5UWQ GNP 5.43478
212 6CIT GNP 5.43478
213 1IBR GNP 5.43478
214 5UWU GNP 5.43478
215 5UWI GNP 5.43478
216 5UWT GNP 5.43478
217 5UWR GNP 5.43478
218 5UWW GNP 5.43478
219 5UWJ GNP 5.43478
220 1EKX PAL 5.43478
221 5L3R GCP 5.43478
222 5LEF GTP 5.43478
223 6AR9 3L4 5.43478
224 5E5U MLI 5.43478
225 1VG8 GNP 5.43478
226 4HEQ FMN 5.47945
227 1KJ1 MAN 5.50459
228 1YZG GDP 5.58659
229 2Y8E GNP 5.58659
230 4D0G GTP 5.71429
231 2A5F GTP 5.71429
232 1Z0A GDP 5.74713
233 4LHW GNP 5.74713
234 4YLG GDP 5.78035
235 5NUL FMN 5.7971
236 1YZQ GNP 5.88235
237 1Z2A GDP 5.95238
238 4U00 ADP 5.97826
239 1BG2 ADP 5.97826
240 3W5J GDP 5.97826
241 3COB ADP 5.97826
242 2HCJ GDP 5.97826
243 4J0Q GDP 5.97826
244 4P3Y GDP 5.97826
245 3U6B GDP 5.97826
246 3TK1 GDP 5.97826
247 1YRB GDP 5.97826
248 1D8T GDP 5.97826
249 5JBQ GDP 5.97826
250 4G5G GDP 5.97826
251 5W7Q GDP 5.97826
252 1DAR GDP 5.97826
253 3U6K GDP 5.97826
254 2D2F ADP 5.97826
255 4IEE AGS 5.97826
256 5WC2 ADP 5.97826
257 5KUT GDP 5.97826
258 5FHD ADP ALF 5.97826
259 5FTB ANP 5.97826
260 2A5J GDP 5.97826
261 2BVN GNP 5.97826
262 4PC3 GDP 5.97826
263 5N69 ADP 5.97826
264 5L3W GDP 5.97826
265 1L2T ATP 5.97826
266 6C90 ADP 5.97826
267 4BAS GNP 5.97826
268 2A9K GDP 5.97826
269 6CRK GDP 5.97826
270 3MBI HSX 5.97826
271 3B8I OXL 5.97826
272 5L3S G 5.97826
273 1F5N GNP 5.97826
274 5L3S GNP 5.97826
275 1WOG 16D 5.97826
276 4ZG4 VO4 ADP 5.97826
277 2BME GNP 5.97826
278 2OFW ADX 5.97826
279 4TL6 ANP 5.97826
280 2WJH GDP 6.0241
281 2WJH FLC 6.0241
282 1MR3 G3D 6.07735
283 1RE0 GDP 6.09756
284 3N5C GDP 6.17284
285 1D5C GDP 6.17284
286 3PCR GTP 6.17284
287 3KTA AP5 6.35838
288 1Z0K GTP 6.39535
289 1XEX ATP 6.39535
290 3E70 GDP 6.40244
291 1G16 GDP 6.47059
292 3WVC FEG 6.47059
293 1G6H ADP 6.52174
294 2CBZ ATP 6.52174
295 2PZE ATP 6.52174
296 4WZ6 ATP 6.52174
297 2WHX ADP 6.52174
298 5TSH ADP 6.52174
299 5GVR LMR 6.52174
300 3CNL GNP 6.52174
301 5TSH ANP 6.52174
302 5UIV ADP 6.52174
303 1S9D GDP 6.52174
304 2V7Q ATP 6.52174
305 2CK3 ANP 6.52174
306 1W0J ADP 6.52174
307 4TTQ ATP 6.52174
308 2JLR ANP 6.52174
309 5Z69 AGS 6.52174
310 3EC1 GDP 6.52174
311 5MZN ADP 6.52174
312 5TB5 GDP 6.52174
313 2V7Q ADP 6.52174
314 4XGU ADP 6.52174
315 5X40 ACP 6.52174
316 3AB3 GDP 6.52174
317 5TAR GDP 6.52174
318 2CHG ANP 6.52174
319 1NJF AGS 6.52174
320 1CR1 TTP 6.52174
321 1W0J ADP BEF 6.52174
322 1NJF ADP 6.52174
323 1SVM ATP 6.52174
324 2VB6 ADP BEF 6.52174
325 2CK3 ADP 6.52174
326 1W5T ANP 6.52174
327 1RYO OXL 6.52174
328 3K5I AIR 6.52174
329 5H4S RAM 6.52174
330 3TMK T5A 6.52174
331 5UQW GDP 6.52174
332 1ZCB GDP 6.52174
333 1OIX GDP 6.52174
334 1W5T ADP 6.52174
335 1U8Z GDP 6.54762
336 1GXU 2HP 6.59341
337 2HV8 GTP 6.97674
338 4PPF FLC 7.06522
339 1T5C ADP 7.06522
340 4KFU ACP 7.06522
341 4YMU ATP 7.06522
342 1JI0 ATP 7.06522
343 2ZR9 DTP 7.06522
344 1XMV ADP 7.06522
345 4ZNL BEF ADP 7.06522
346 3PQC GDP 7.06522
347 3MD0 GDP 7.06522
348 2RCN GDP 7.06522
349 4D0N GDP 7.06522
350 1R0X ATP 7.06522
351 2PL3 ADP 7.06522
352 3ZFD ANP 7.06522
353 5LB3 ADP 7.06522
354 1ZD9 GDP 7.06522
355 2GCO GNP 7.06522
356 3DZD ADP 7.06522
357 4R2I ANP 7.06522
358 5HPY GDP 7.06522
359 1OW3 GDP 7.06522
360 5G3Y ADP 7.06522
361 5IRC GDP 7.06522
362 2GCN GDP 7.06522
363 6BCB GSP 7.06522
364 6BCA GSP 7.06522
365 2BIF SIN 7.06522
366 2QTV GNP 7.06522
367 2F5X ASP 7.06522
368 2YOH WMJ 7.06522
369 4XDZ 40E 7.06522
370 4XVU ATP 7.06522
371 4K81 GTP 7.06522
372 1CXZ GSP 7.14286
373 5E95 GDP 7.2165
374 5WLB GNP 7.22892
375 2PEZ DAT 7.26257
376 4XSH GSP 7.26257
377 5MVR ADP 7.40741
378 5H67 ATP 7.5
379 3KMT SAH 7.56302
380 3NHB ADP 7.6087
381 1XP8 AGS 7.6087
382 4LC1 GDP 7.6087
383 2DPY ADP 7.6087
384 2OBM ADP 7.6087
385 3LXR GDP 7.6087
386 6B8B ADP 7.6087
387 1VHT BA3 7.6087
388 3HU3 AGS 7.6087
389 1UJ2 C5P 7.6087
390 3R7F CP 7.6087
391 1VKJ A3P 7.6087
392 2I6U CP 7.6087
393 1UJ2 ADP 7.6087
394 1QO0 BMD 7.6087
395 2O0J ADP 7.6087
396 2XTZ GSP 7.6087
397 2X7I CIT 7.6087
398 2UZI GTP 7.89474
399 2KIN ADP 8
400 6BC0 GSP 8
401 2HT6 GDP 8.04598
402 4XTR ADP 8.10811
403 4XTR ATP 8.10811
404 1RRC ADP 8.15217
405 1LVG ADP 8.15217
406 2GDJ ANP 8.15217
407 2ZFI ADP 8.15217
408 5VHC BEF ADP 8.15217
409 2G77 GDP 8.15217
410 1ION ADP 8.15217
411 2B8W ALF 5GP 8.15217
412 3SFV GDP 8.15217
413 4LJ9 ACP 8.15217
414 3QKT ANP 8.15217
415 2V5K OXM 8.15217
416 4B5W PYR 8.15217
417 4RZ3 ADP 8.15217
418 4P86 5GP 8.19672
419 3P4X ADP 8.23245
420 2EFE GNH 8.28729
421 6A20 ADP 8.69565
422 5W75 GDP 8.69565
423 6C0B MLI 8.69565
424 1R6B ADP 8.69565
425 5ZBR ANP 8.69565
426 5JCP GDP ALF 8.69565
427 4V03 ADP 8.69565
428 5VJN IR8 8.69565
429 1K6M AGS 8.69565
430 1X6V ADP 8.69565
431 2F9L GDP 8.69565
432 5E13 5J9 8.69565
433 3WXM GTP 8.72483
434 5DI3 GNP 8.74525
435 4P83 U5P 8.79121
436 1TU3 GNP 8.86076
437 3VMF GTP 8.86364
438 1OIV GDP 8.90052
439 1KAO GDP 8.98204
440 1OFH ADP 9.1954
441 1GOJ ADP 9.23913
442 1B0U ATP 9.23913
443 3UIE ANP 9.23913
444 2CDN ADP 9.23913
445 2QEN ADP 9.23913
446 3B7G ANP 9.23913
447 1H65 GDP 9.23913
448 3CPJ GDP 9.23913
449 1W7J ADP BEF 9.23913
450 1IN4 ADP 9.23913
451 5KOD IAC 9.23913
452 5KDO GDP 9.45946
453 1XPJ TLA 9.52381
454 1GOT GDP 9.58904
455 1YQT ADP 9.78261
456 1G41 ADP 9.78261
457 2C77 GNP 9.78261
458 2GK6 ADP 9.78261
459 2C78 GNP 9.78261
460 4PJ3 ANP 9.78261
461 2OZE AGS 9.78261
462 3EWA ANP 9.93789
463 4CVN ADP 10.219
464 5U32 GDP 10.3261
465 2GKS ADP 10.3261
466 5CK5 GDP 10.3261
467 5W76 GDP 10.3261
468 4DCT GDP 10.3261
469 2NGR GDP 10.3261
470 4DID GDP 10.3261
471 5XDR ADP 10.3261
472 1TQ4 GDP 10.3261
473 2WMO GTP 10.3261
474 1A4R GNH 10.3261
475 1A4R GDP 10.3261
476