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Receptor
PDB id Resolution Class Description Source Keywords
2QK4 2.45 Å EC: 6.3.4.13 HUMAN GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE HOMO SAPIENS PURINE SYNTHESIS ENZYME PROTEIN-ATP COMPLEX STRUCTURAL GESTRUCTURAL GENOMICS CONSORTIUM SGC LIGASE
Ref.: STRUCTURAL STUDIES OF TRI-FUNCTIONAL HUMAN GART. NUCLEIC ACIDS RES. V. 38 7308 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
CL A:602;
B:601;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
GOL A:803;
A:804;
B:801;
B:802;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:701;
B:702;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QK4 2.45 Å EC: 6.3.4.13 HUMAN GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE HOMO SAPIENS PURINE SYNTHESIS ENZYME PROTEIN-ATP COMPLEX STRUCTURAL GESTRUCTURAL GENOMICS CONSORTIUM SGC LIGASE
Ref.: STRUCTURAL STUDIES OF TRI-FUNCTIONAL HUMAN GART. NUCLEIC ACIDS RES. V. 38 7308 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2QK4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2QK4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2YW2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2YS6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 2YRX - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 2QK4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 SAP 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 2CP 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QK4; Ligand: ATP; Similar sites found with APoc: 591
This union binding pocket(no: 1) in the query (biounit: 2qk4.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1O44 852 None
2 1XJD STU 0.869565
3 3HAV ATP 1.00334
4 5O3N 4LU 1.10619
5 4NFN 2KC 1.2945
6 5MY8 RXZ 1.30548
7 3VRY B43 1.32743
8 5L6G XYP 1.32743
9 4Y93 746 1.34529
10 2B9W FAD 1.41509
11 3BZ3 YAM 1.44928
12 2I6A 5I5 1.44928
13 3TY5 ADP 1.45278
14 3TY5 ATP 1.45278
15 4J75 TYM 1.46699
16 3DLS ADP 1.49254
17 1Y57 MPZ 1.54867
18 2H8H H8H 1.54867
19 3UG4 AHR 1.54867
20 2WET FAD 1.54867
21 1QM5 GLC GLC GLC PO4 SGC GLC 1.54867
22 2XK9 XK9 1.5528
23 4RIF 3R2 1.58311
24 2X2M X2M 1.59236
25 4QMN DB8 1.6129
26 4H3P ANP 1.65746
27 4H3Q ANP 1.65746
28 5BVE 4VG 1.66205
29 4G31 0WH 1.67224
30 2B9F ADP 1.69972
31 3V8S 0HD 1.70732
32 5DRB 5FJ 1.71821
33 6ALW BNV 1.73611
34 5KO1 6UY 1.76678
35 3WO0 ADP 1.76991
36 3WO0 ALA 1.76991
37 5YF9 NIO 1.76991
38 5OMY 9YE 1.79028
39 5LPZ ADP 1.80723
40 5W4W 9WG 1.81269
41 4KBA 1QM 1.81269
42 4K33 ACP 1.84615
43 5K4W NAI 1.86916
44 3Q60 ATP 1.88679
45 6ES0 BW8 1.89274
46 2OO8 RAJ 1.89274
47 5OKT 9XK 1.91083
48 3RI1 3RH 1.91693
49 5UR1 YY9 1.92926
50 5JKG 6LF 1.92926
51 2YAB AMP 1.93906
52 4IDT T28 1.96629
53 4YMJ 4EJ 1.97368
54 3AWJ COA 1.99005
55 5DZT AMP 1.99115
56 5AE9 OKO 1.99115
57 6EZ6 C5Z 1.99115
58 5VLQ ANP 1.99115
59 5L2R MLA 1.99115
60 4Z87 GDP 1.99115
61 3C0G 3AM 1.9943
62 5T8O 76Z 2.00573
63 1PHK ATP 2.01342
64 5LPB ADP 2.02703
65 3GE7 AFQ 2.07254
66 2RIO ADP 2.07373
67 3PE2 E1B 2.07715
68 4BHN BH9 2.09581
69 3DRW AMP 2.1097
70 5HCY 60D 2.1148
71 5A6N U7E 2.12014
72 3VPB ADP 2.12766
73 3VPC ADP 2.12766
74 1PK8 ATP 2.1327
75 1Z2P ACP 2.16049
76 1Z2P I3S 2.16049
77 2OFV 242 2.16606
78 3PN1 IVH 2.20126
79 3KN5 ANP 2.21239
80 5UKL SIX 2.21239
81 5FBN 5WF 2.21402
82 6GWR FEW 2.22222
83 5TA6 79D 2.23464
84 4EN4 GT1 2.24359
85 4EN4 ATP 2.24359
86 4EN4 GT0 2.24359
87 3RWP ABQ 2.2508
88 2PVN P63 2.27273
89 3DNT ATP 2.27273
90 3TPV ADE 2.27273
91 5TT6 ATP 2.28426
92 4IX4 ADP 2.28571
93 5C1P ADP 2.28758
94 5C1P DAL DAL 2.28758
95 5I35 ANP 2.29008
96 2XOC ADP 2.29885
97 4UWH JXM 2.32945
98 5EYP LOC 2.36686
99 4E93 GUI 2.38727
100 4ZGP ADP 2.38908
101 5VC5 96M 2.42215
102 1OPK P16 2.42424
103 2HGS ADP 2.43363
104 4X3R 686 2.43363
105 5EH0 5NW 2.43363
106 3RFA SAM 2.43363
107 3VSV XYS 2.43363
108 4LH7 1X8 2.47678
109 2F2U M77 2.48756
110 6F9G PUT 2.49221
111 3LXN MI1 2.51572
112 4WOV 3SM 2.52366
113 3AQV TAK 2.53623
114 4FG8 ATP 2.53968
115 6C0T EE4 2.59366
116 3NW7 LGV 2.60586
117 4ZS4 ATP 2.60586
118 5ZM4 AKG 2.61438
119 3E8N VRA 2.6393
120 3E8N ATP 2.6393
121 1I7E IBS 2.64151
122 4GJ3 0XP 2.64901
123 4ONA UW1 2.65487
124 4PNI KQQ 2.65487
125 4OAV ACP 2.65487
126 4O1P ANP 2.65487
127 4L9I 8PR 2.65487
128 4UX9 ANP 2.65487
129 4PU5 ANP 2.65487
130 2GC0 PAN 2.65957
131 1K3A ACP 2.67559
132 3FC2 IBI 2.68657
133 3PVW QRX 2.7027
134 4IZY 1J2 2.71003
135 4E1Z 0MX 2.74914
136 3E7O 35F 2.77778
137 4NW6 2NS 2.78638
138 4UXL 5P8 2.79503
139 3G5D 1N1 2.7972
140 4CC6 L5Y 2.83019
141 3TXO 07U 2.83286
142 3KH5 ADP 2.85714
143 4R38 RBF 2.85714
144 3KH5 AMP 2.85714
145 1QFT HSM 2.85714
146 2WQP WQP 2.86533
147 5OES ADP 2.87611
148 3ILR IXD 2.87611
149 3ILR SGN 2.87611
150 3HZT J60 2.87611
151 5DXT 5H5 2.87611
152 1BYG STU 2.8777
153 5X8I SQZ 2.89017
154 1AUX AGS 2.89389
155 3TII ANP 2.89474
156 4QTB 38Z 2.89474
157 5M06 ADP 2.89855
158 3PDT ADP 2.90909
159 3EKK GS2 2.9316
160 1IR3 ANP 2.94118
161 6G33 5ID 2.94985
162 3SLS ANP 2.96053
163 2HK5 1BM 2.96296
164 2C29 DQH 2.96736
165 2C29 NAP 2.96736
166 5EQY 5RA 2.99252
167 4I94 ANP 3
168 5EXK 5AD 3.02115
169 2IF8 ADP 3.0303
170 2YI0 YI0 3.05677
171 6GG9 FMN 3.08642
172 3G5N PB2 3.09735
173 4WTV ATP 3.09735
174 5X1M DHB 3.09735
175 1R6T TYM 3.09735
176 5X1M THG 3.09735
177 5CKW ANP 3.10421
178 4DFU QUE 3.10559
179 6CMJ F6J 3.11526
180 4CS9 AMP 3.1746
181 5U6C 7YS 3.1746
182 1EHI ADP 3.18302
183 4CYI ATP 3.19635
184 5A89 ADP 3.20513
185 5A89 FMN 3.20513
186 4JR7 GNP 3.20856
187 4WB7 ATP 3.20988
188 4A4X JUP 3.22581
189 2PZI AXX 3.23054
190 3ZRM ZRM 3.2345
191 1XDN ATP 3.2491
192 4EWH T77 3.27273
193 6CGD GNP 3.27869
194 6CGD AKN 3.27869
195 5MW4 5JU 3.29341
196 1ZY5 ANP 3.30033
197 3X01 AMP 3.30789
198 4DC2 ADE 3.31858
199 4F9C 0SX 3.3241
200 1ELI PYC 3.3419
201 3VHE 42Q 3.34262
202 2ZV2 609 3.3557
203 3LXK MI1 3.36391
204 6CQF F97 3.367
205 4ASE AV9 3.39943
206 2Z7R STU 3.42679
207 3F7Z 34O 3.42857
208 1O9U ADZ 3.42857
209 4YZC STU 3.45679
210 3HMO STU 3.50877
211 5KJW 53C 3.51288
212 4U98 ACP 3.53982
213 3TTI KBI 3.53982
214 3CY2 MB9 3.53982
215 3PP0 03Q 3.5503
216 5NNS AKR 3.55556
217 5DMZ ADP 3.56164
218 3LOO B4P 3.56164
219 1IA9 ANP 3.57143
220 5HES 032 3.58306
221 4OH4 ANP 3.6036
222 4O4F ATP 3.62903
223 4O4F IHP 3.62903
224 4IJP 1EH 3.63128
225 5DBX ANP 3.65854
226 4JGP PYR 3.68664
227 5DEY 59T 3.7037
228 1RE8 BD2 3.71429
229 4WB6 ATP 3.71429
230 4AU8 Z3R 3.71622
231 4ITU NAI 3.71747
232 3IDB ANP 3.72671
233 2CSN CKI 3.76106
234 4EUU BX7 3.76176
235 5VSM MET 3.77358
236 5VSM 5AD 3.77358
237 5FU3 BGC BGC BGC 3.77358
238 5WNL STU 3.80117
239 4D52 GIV 3.80952
240 4D52 GXL 3.80952
241 1V0O INR 3.81944
242 1SDW IYT 3.82166
243 4WNP 3RJ 3.83275
244 3I0O ADP 3.83481
245 2GU8 796 3.85757
246 6FYV 3NG 3.85757
247 3FHR P4O 3.86905
248 1ZTH ADP 3.87597
249 1ZP9 ATP 3.87597
250 6BXI ANP 3.9039
251 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 3.91304
252 1I0B PEL 3.91566
253 1OBD ATP 3.92157
254 5VZ0 ADP 3.93357
255 6G9I CXX 3.93939
256 6F5U CQN 3.93939
257 4USF 6UI 3.94737
258 3SRV S19 3.97112
259 2CFM AMP 3.9823
260 3GC8 B45 3.9823
261 2Q4H AMP 3.9823
262 3ICR FAD 3.9823
263 4C5N PXL 3.98551
264 4C5N ACP 3.98551
265 3GGF GVD 3.98671
266 2A19 ANP 4
267 1U5R ATP 4.02299
268 4F4P 0SB 4.0293
269 4TWP AXI 4.05904
270 2F57 23D 4.10095
271 3SXS PP2 4.10448
272 3GNI ATP 4.10557
273 6E8I PTR 4.14201
274 4WVW SLT 4.16667
275 2WQN ADP 4.19355
276 6C1S EFV 4.20354
277 6FL8 TIY 4.20354
278 6FL8 ADP 4.20354
279 3UDZ ADP 4.20354
280 4WNK 453 4.20354
281 1VEM GLC GLC 4.20354
282 4R78 AMP 4.20712
283 4I6H 1C8 4.22078
284 3RE4 TO1 4.26357
285 4YGF AZM 4.2735
286 6GZD LCI 4.27807
287 1Q8Y ADE 4.28954
288 1Q8Y ADP 4.28954
289 2XVD AS6 4.30464
290 6GIN IR2 4.31894
291 5FI4 5XV 4.33437
292 5OM2 DXT 4.33604
293 4NJH SAM 4.34783
294 4NJH 2K8 4.34783
295 5C4L 4XR 4.36137
296 5C4L SIS 4.36137
297 4CSV STI 4.36364
298 2P1O NLA 4.375
299 2P1O IHP 4.375
300 3MVH WFE 4.38596
301 3IWD M2T 4.41176
302 3KAL ADP 4.42478
303 3Q9T FAY 4.42478
304 3E9I XAH 4.42478
305 2BMB PMM 4.42478
306 1S4M LUM 4.43686
307 6A1G 9OL 4.44444
308 4RDL FUC GAL NDG FUC 4.54545
309 5AWM ANP 4.56853
310 1GQG DCD 4.57143
311 1UYY BGC BGC 4.58015
312 2GQS ADP 4.64135
313 2GQR ADP 4.64135
314 1M0W ANP 4.64602
315 6D61 4AA 4.64602
316 3KMW ATP 4.65116
317 4CRL C1I 4.6798
318 3M2W L8I 4.68227
319 5U98 1KX 4.69314
320 4FE2 ADP 4.70588
321 2R7K ACP 4.70914
322 2R7K AMZ 4.70914
323 4XH0 ADP 4.71464
324 5QIN J2V 4.74684
325 4UAL 3FV 4.77327
326 1SQL GUN 4.79452
327 4WW7 AMP 4.81283
328 4U44 3D9 4.81928
329 3ORK AGS 4.82315
330 2C6Q NDP 4.8433
331 1FP6 ADP 4.84429
332 1F0X FAD 4.86726
333 1NAA ABL 4.86726
334 1NAA 6FA 4.86726
335 5H2U 1N1 4.86891
336 3W0O HY0 4.87106
337 3W0O ADP 4.87106
338 4N70 2HX 4.87805
339 3TAY MN0 4.90798
340 5MJA 7O3 4.91803
341 6CZ3 FLJ 4.92424
342 3TKI S25 4.95356
343 5WO4 B7V 4.96689
344 2HY0 306 4.96894
345 2IO8 ADP 5.0885
346 5MW8 ATP 5.0885
347 3IGO ANP 5.0885
348 4HA6 FAD 5.0885
349 4ITH RCM 5.10204
350 5XVG 8FX 5.11945
351 4X7Q 3YR 5.12821
352 4KS7 X4Z 5.13699
353 4YZN 4K5 5.22648
354 1U59 STU 5.22648
355 2JLD AG1 5.2381
356 6C7Y ADP 5.24476
357 5C03 AGS 5.26316
358 6BFN DL1 5.26316
359 1UNH IXM 5.28846
360 5COU ATP 5.29412
361 5CEO 50D 5.33333
362 5ZTN CUR 5.36131
363 1EXF GLY 5.3719
364 5JZJ AN2 5.38721
365 5DQ8 FLF 5.41667
366 4Y85 499 5.42169
367 3TWO NDP 5.45977
368 2WEL K88 5.50459
369 5AX9 4KT 5.51948
370 4WHZ 3NL 5.53097
371 4AUA 4AU 5.53746
372 3ZQ6 ADP ALF 5.55556
373 4NM5 ADP 5.57029
374 2WLG SOP 5.5814
375 3A06 NDP 5.58511
376 1SU2 ATP 5.66038
377 5H9P TD2 5.6962
378 3E85 BSU 5.6962
379 5HVJ ANP 5.71429
380 4BR5 ANP 5.75221
381 4G17 0VN 5.75758
382 4Q0P 0MK 5.76923
383 3GC0 AMP 5.77508
384 6GQM F8H 5.79268
385 2PUL ACP 5.79345
386 4RYV ZEA 5.80645
387 4XV1 904 5.82192
388 4Y0X ADP 5.86667
389 5UIU 8CG 5.88235
390 4NFE BEN 5.90717
391 1MH5 HAL 5.93607
392 6AC9 ANP 5.94595
393 5UPK ANP 5.94595
394 2PYW ADP 5.95238
395 4AT3 LTI 5.97345
396 1IHU AF3 5.97345
397 1IHU ADP 5.97345
398 2VN9 GVD 5.98007
399 1GSA ADP 6.01266
400 1S68 AMP 6.0241
401 1TQP ATP 6.02837
402 4U0I 0LI 6.03175
403 4GYI ADP 6.04534
404 5FUI APY 6.06061
405 1CKM GTP 6.06061
406 1CKN GTP 6.06061
407 6E2O S0L 6.1017
408 4CQE CQE 6.11511
409 2VL1 GLY GLY 6.11814
410 2R5T ANP 6.16622
411 1Q6D GLC GLC 6.19469
412 5NKB 8ZT 6.20915
413 2AQX ATP 6.22837
414 2YPO PHE 6.27706
415 2PVF ACP 6.28743
416 2WU6 DKI 6.29921
417 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 6.33484
418 4RFM 3P6 6.39098
419 3H9R TAK 6.42202
420 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 6.43275
421 2JDR L20 6.43275
422 6F3G CJN 6.44068
423 3GQI ACP 6.44172
424 6G34 5ID 6.44258
425 4OUC 5ID 6.44258
426 3WVR AMP 6.4877
427 1CM8 ANP 6.53951
428 5IH9 6BF 6.56716
429 3KRL KRL 6.56716
430 4L3L 5FI 6.57895
431 1UWZ THU 6.61765
432 5LIA 6XN 6.63717
433 3O0G 3O0 6.71141
434 1WUB OTP 6.74157
435 4OTH DRN 6.74487
436 3UIM ANP 6.74847
437 1S8F GDP 6.77966
438 2V7O DRN 6.84524
439 3PTG 932 6.88705
440 2QX0 PH2 6.91824
441 5KD6 6C7 6.92124
442 3LQV ADE 6.95652
443 4NZN 2OU 6.9697
444 4NZN ANP 6.9697
445 5JGA 6KC 6.98413
446 4C2V YJA 7.01754
447 6C8X BVR 7.07071
448 5L9G MO0 7.12251
449 6FYL 3NG 7.16253
450 4C2W ANP 7.16846
451 4BFM ANP 7.18563
452 5EYK 5U5 7.24638
453 5EKO N17 7.27763
454 2J7T 274 7.28477
455 3MTX PGT 7.28477
456 5VCV 1N1 7.3955
457 4BTK DTQ 7.4184
458 5EOB 5QQ 7.52351
459 5K2M ADP 7.54717
460 2NNQ T4B 7.63359
461 2E56 MYR 7.63889
462 2FB3 GTP 7.64706
463 3ETH ATP 7.74336
464 5YK1 ANP 7.74336
465 1N62 MCN 7.83133
466 4GLW 0XT 7.86885
467 5A5W GUO 7.90514
468 5LI1 ANP 7.9096
469 3DAK ANP 7.93103
470 5IH1 GDP 7.94702
471 5IH1 6BQ 7.94702
472 5ODY 9SK 7.97101
473 5LI9 ACP 8
474 2WEI VGG 8.01394
475 3NZ1 3NY 8.04598
476 4FL3 ANP 8.34646
477 4B1L FRU 8.48485
478 2GJ5 VD3 8.64198
479 4MNS 2AX 8.80503
480 5TT5 NAD 8.84956
481 5NBW 8SK 8.8785
482 3K56 IS3 9.02256
483 3V4S ATP 9.04393
484 3V4S ADP 9.04393
485 3NWQ 2NC 9.09091
486 5LXB 7A9 9.09091
487 4Y8D 49J 9.11765
488 2YAK OSV 9.12281
489 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 9.14286
490 4CLI 5P8 9.17431
491 1VJY 460 9.24092
492 2VPQ ANP 9.31264
493 5L8L ADP 9.47368
494 4OCV ANP 9.49868
495 5LXM ADP 9.54064
496 1JPA ANP 9.61539
497 2QCS ANP 9.62199
498 5EFQ ADP 9.70149
499 4NST ADP 9.70149
500 1I7L ATP 9.70874
501 4AZW ATP 9.73451
502 3KPB SAM 9.83607
503 3AKK ADP 9.84615
504 5D48 L96 9.86842
505 5Y80 IRE 9.90415
506 6GU6 1QK 9.93377
507 5HQ0 LZ9 9.93377
508 5EW9 5VC 9.9631
509 3E5A VX6 10.0746
510 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 10.1064
511 2Y6O 1N1 10.3093
512 4NS0 PIO 10.5263
513 5OCG 9R5 10.582
514 1T36 ADP 10.6195
515 4LRJ ANP 10.6509
516 4OCJ NDG 10.8179
517 3VOT ADP 10.8235
518 2QF7 AGS 10.8407
519 5DEP UD1 10.8527
520 5ODT ADP 10.8696
521 2BPM 529 11.0032
522 5LXT ACP 11.1888
523 4CFU 2WC 11.2211
524 6GUE FB8 11.2583
525 1TZD ADP 11.2727
526 4BCM T7Z 11.2957
527 4BCQ TJF 11.2957
528 1ZEI CRS 11.3208
529 4BCN T9N 11.3333
530 2XMY CDK 11.4094
531 3PLS ANP 11.4094
532 1W2D 4IP 11.6981
533 1W2D ADP 11.6981
534 2XG5 EC2 11.9266
535 2XG5 EC5 11.9266
536 3ORQ ADP 11.9363
537 3RUG DB6 12.1212
538 3QUZ QUV 12.1212
539 2Q7D ANP 12.1387
540 6FA4 D1W 12.1387
541 3TM0 B31 12.1673
542 3TM0 ANP 12.1673
543 1LNX URI 12.3457
544 2VQD AP2 12.3894
545 2B9H ADP 12.4646
546 2B9J ADP 12.4646
547 2B9I ADP 12.4646
548 5NIU 8YZ 12.5
549 4MV1 ADP 12.6106
550 5G1X ADP 12.6984
551 6MJ7 ARG 12.7273
552 4LOO SB4 13.0194
553 4K38 SAM 13.2432
554 4K39 SAM 13.2432
555 5USZ SKE 13.4948
556 3ALN ANP 14.0673
557 5TDF ADP 14.5062
558 5Y86 HRM 14.6018
559 2VZ6 FEF 14.6965
560 4XYM A12 15.2174
561 4XZ3 ACP 15.2174
562 2NU8 COA 15.2778
563 3L9R L9Q 15.3061
564 3L9R L9R 15.3061
565 2BKK ADP 15.3846
566 1E4E ADP 15.4519
567 4K55 H6P 16.129
568 1IOW ADP 16.3399
569 1IOW PHY 16.3399
570 3WG3 A2G GAL NAG FUC 16.8539
571 3VPD ANP 17.0819
572 2V58 LZJ 17.3719
573 3FHI ANP 18.1818
574 3CF6 SP1 18.5629
575 5KK4 44E 18.75
576 4PZ6 GMP 19.0476
577 4WOE ADP 19.2478
578 3K5I ADP 20.5955
579 3K5I AIR 20.5955
580 1KJ8 GAR 21.2276
581 1KJ8 ATP 21.2276
582 2V92 ATP 21.8391
583 2V92 AMP 21.8391
584 2Y8L ADP 21.8391
585 2Y8L AMP 21.8391
586 4Q5H ANP 22.3684
587 5ZCT ANP 22.8758
588 6E2B PT7 26.3158
589 3BU5 ATP 26.6667
590 1K7L 544 28.5714
591 5LVP ATP 40
Pocket No.: 2; Query (leader) PDB : 2QK4; Ligand: ATP; Similar sites found with APoc: 30
This union binding pocket(no: 2) in the query (biounit: 2qk4.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5JFS 6K0 1.62338
2 4B63 FAD 1.99115
3 4B63 NAP 1.99115
4 4B63 ORN 1.99115
5 1M15 ADP 2.2409
6 1M15 ARG 2.2409
7 3ILR SGN IXD 2.87611
8 6ARJ SAH 2.87611
9 4DOO DAO 2.92683
10 4CQB MLI 3.07329
11 4BG4 ADP 3.37079
12 3BP1 GUN 3.44828
13 4AG8 AXI 3.79747
14 5TO8 7FM 3.90071
15 1JYQ MAZ PTR PTM ASN 4.16667
16 1PS9 FAD 4.20354
17 1XK5 TPG 4.41176
18 2Z3U CRR 5.0885
19 1D6H COA 5.42636
20 2FR6 CTN 5.47945
21 2FR6 URI 5.47945
22 4P5Z Q7M 5.81717
23 1VKF CIT 5.85106
24 5N87 N66 9.90415
25 5HZ9 5M8 11.1111
26 4K37 SAM 13.2432
27 2G30 ALA ALA PHE 14.7287
28 6GNO XDI 14.8148
29 6GR0 F8W 25.2874
30 1JBU BEN 33.3333
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