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: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 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: 249
This union binding pocket(no: 1) in the query (biounit: 2qk4.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XJD STU 0.0004273 0.42164 0.869565
2 3HAV ATP 0.0002808 0.48805 1.00334
3 4NFN 2KC 0.0002098 0.44333 1.2945
4 5L6G XYP 0.01063 0.40583 1.32743
5 2B9W FAD 0.0477 0.41623 1.41509
6 3TY5 ADP 0.002497 0.41383 1.45278
7 3TY5 ATP 0.005232 0.40979 1.45278
8 4J75 TYM 0.02363 0.40959 1.46699
9 3DLS ADP 0.00002208 0.53921 1.49254
10 4H3P ANP 0.0009339 0.41148 1.65746
11 2B9F ADP 0.00122 0.40686 1.69972
12 3V8S 0HD 0.0006514 0.42554 1.70732
13 3OFM 4B0 0.000101 0.47363 1.71429
14 4D2S DYK 0.0006056 0.44429 1.76056
15 5KO1 6UY 0.002083 0.40352 1.76678
16 5LPZ ADP 0.001439 0.40394 1.80723
17 4KBA 1QM 0.0004079 0.46912 1.81269
18 2YAB AMP 0.0004429 0.48324 1.93906
19 4YMJ 4EJ 0.000149 0.50053 1.97368
20 3AWJ COA 0.009195 0.41804 1.99005
21 5DZT AMP 0.00000314 0.5855 1.99115
22 5VLQ ANP 0.000005924 0.45656 1.99115
23 5NCY 8TK 0.00001637 0.40844 1.99115
24 3C0G 3AM 0.0004427 0.44816 1.9943
25 5T8O 76Z 0.0007444 0.40132 2.00573
26 5LPB ADP 0.001001 0.4415 2.02703
27 2RIO ADP 0.002771 0.40182 2.07373
28 4BHN BH9 0.000583 0.40992 2.09581
29 3DRW AMP 0.009625 0.40637 2.1097
30 5A6N U7E 0.00007178 0.5223 2.12014
31 3VPC ADP 0.00002396 0.44865 2.12766
32 3VPB ADP 0.000003152 0.44606 2.12766
33 1PK8 ATP 0.0001825 0.40089 2.1327
34 2OFV 242 0.002933 0.46423 2.16606
35 3PN1 IVH 0.000268 0.47077 2.20126
36 3KN5 ANP 0.0002095 0.48898 2.21239
37 3TPV ADE 0.0005301 0.4114 2.27273
38 4IX4 ADP 0.00002252 0.54971 2.28571
39 5C1P ADP 0.000002888 0.53915 2.28758
40 5C1P DAL DAL 0.000008078 0.43228 2.28758
41 5I35 ANP 0.0001469 0.44487 2.29008
42 4UWH JXM 0.001463 0.4187 2.32945
43 2HGS ADP 0.00001876 0.43989 2.43363
44 3VSV XYS 0.01346 0.40698 2.43363
45 4LH7 1X8 0.0002062 0.49808 2.47678
46 2F2U M77 0.001139 0.44 2.48756
47 3LXN MI1 0.001116 0.40073 2.51572
48 4WOV 3SM 0.003018 0.41146 2.52366
49 3AQV TAK 0.0002116 0.43723 2.53623
50 4FG8 ATP 0.0001365 0.42879 2.53968
51 1I7E IBS 0.01092 0.40835 2.64151
52 4OAV ACP 0.001287 0.41313 2.65487
53 4O1P ANP 0.001548 0.4036 2.65487
54 1K3A ACP 0.0002737 0.48338 2.67559
55 4IZY 1J2 0.0001531 0.43062 2.71003
56 3E7O 35F 0.0009646 0.48408 2.77778
57 4CC6 L5Y 0.0002274 0.48117 2.83019
58 3TXO 07U 0.0002503 0.45017 2.83286
59 3HZT J60 0.0001567 0.47756 2.87611
60 5DXT 5H5 0.001229 0.40727 2.87611
61 1BYG STU 0.0004221 0.44122 2.8777
62 5X8I SQZ 0.001641 0.40508 2.89017
63 1AUX AGS 0.0000993 0.44984 2.89389
64 3TII ANP 0.0003077 0.46576 2.89474
65 5M06 ADP 0.002584 0.40729 2.89855
66 4I94 ANP 0.0006746 0.42526 3
67 5EXK 5AD 0.01011 0.41046 3.02115
68 2IF8 ADP 0.0001622 0.4952 3.0303
69 5CKW ANP 0.0003586 0.46292 3.10421
70 4DFU QUE 0.0000678 0.5137 3.10559
71 4CS9 AMP 0.001714 0.44916 3.1746
72 1EHI ADP 0.000004507 0.48306 3.18302
73 4JR7 GNP 0.0001944 0.4339 3.20856
74 2PZI AXX 0.0001771 0.46546 3.23054
75 3ZRM ZRM 0.0003615 0.43011 3.2345
76 1XDN ATP 0.003535 0.40221 3.2491
77 5IQD GNP 0.004298 0.45669 3.27869
78 5IQD RIO 0.004516 0.45669 3.27869
79 1ZY5 ANP 0.0007601 0.42368 3.30033
80 3X01 AMP 0.0001773 0.49729 3.30789
81 4DC2 ADE 0.0001631 0.49569 3.31858
82 4F9C 0SX 0.003002 0.40092 3.3241
83 2ZV2 609 0.0005719 0.45435 3.3557
84 2Z7R STU 0.0003377 0.41086 3.42679
85 1O9U ADZ 0.0001541 0.48156 3.42857
86 3F7Z 34O 0.0002175 0.43701 3.42857
87 3HMO STU 0.0005939 0.42799 3.50877
88 5KJW 53C 0.01513 0.40052 3.51288
89 4U98 ACP 0.0001265 0.45435 3.53982
90 3CY2 MB9 0.0002219 0.40939 3.53982
91 5DMZ ADP 0.001831 0.40239 3.56164
92 1IA9 ANP 0.0003571 0.41781 3.57143
93 5HES 032 0.001123 0.46733 3.58306
94 4OH4 ANP 0.001365 0.40768 3.6036
95 4IJP 1EH 0.001154 0.46476 3.63128
96 5DBX ANP 0.002898 0.41363 3.65854
97 4JGP PYR 0.009841 0.41029 3.68664
98 1RE8 BD2 0.0004552 0.51737 3.71429
99 4AU8 Z3R 0.001325 0.43648 3.71622
100 5FU3 BGC BGC BGC 0.01579 0.40075 3.77358
101 4D52 GIV 0.0138 0.40449 3.80952
102 1V0O INR 0.001476 0.40479 3.81944
103 4WNP 3RJ 0.000181 0.46519 3.83275
104 3I0O ADP 0.0002549 0.46841 3.83481
105 1ZTH ADP 0.00476 0.41191 3.87597
106 1I0B PEL 0.02019 0.40082 3.91566
107 1OBD ATP 0.0006809 0.43963 3.92157
108 5VZ0 ADP 0.0001225 0.4574 3.93357
109 4USF 6UI 0.00263 0.41347 3.94737
110 3SRV S19 0.001569 0.41061 3.97112
111 2CFM AMP 0.0002815 0.46613 3.9823
112 3GC8 B45 0.0001722 0.4125 3.9823
113 3GGF GVD 0.0003953 0.44348 3.98671
114 2A19 ANP 0.001659 0.43295 4
115 1U5R ATP 0.002434 0.40188 4.02299
116 2F57 23D 0.00124 0.42515 4.10095
117 4XLI 1N1 0.0007929 0.42175 4.10448
118 4WVW SLT 0.01545 0.40541 4.16667
119 2WQN ADP 0.0006378 0.44127 4.19355
120 3UDZ ADP 0.0004383 0.41602 4.20354
121 4R78 AMP 0.0008849 0.45315 4.20712
122 4I6H 1C8 0.001282 0.40456 4.22078
123 3RE4 TO1 0.0004194 0.4591 4.26357
124 1Q8Y ADE 0.0006707 0.45886 4.28954
125 5C4L 4XR 0.00032 0.50884 4.36137
126 5C4L SIS 0.0142 0.42359 4.36137
127 3IWD M2T 0.007053 0.41718 4.41176
128 4RDL FUC GAL NDG FUC 0.001235 0.45611 4.54545
129 5AWM ANP 0.0007331 0.44798 4.56853
130 1UYY BGC BGC 0.001638 0.44616 4.58015
131 1M0W ANP 0.00002173 0.53954 4.64602
132 3KMW ATP 0.0003925 0.43133 4.65116
133 3M2W L8I 0.0004165 0.44973 4.68227
134 4XH0 ADP 0.00001622 0.54891 4.71464
135 4UAL 3FV 0.0002596 0.49235 4.77327
136 4WW7 AMP 0.00005203 0.42726 4.81283
137 4U44 3D9 0.0006428 0.41902 4.81928
138 5H2U 1N1 0.004357 0.40061 4.86891
139 5DA3 58V 0.002706 0.42308 4.90566
140 5MJA 7O3 0.002123 0.41076 4.91803
141 2HY0 306 0.0015 0.42673 4.96894
142 5MW8 ATP 0.0001576 0.41086 5.0885
143 2IO8 ADP 0.0001261 0.40581 5.0885
144 4X7Q 3YR 0.0008672 0.41402 5.12821
145 1U59 STU 0.000317 0.4322 5.22648
146 4YZN 4K5 0.0003473 0.40698 5.22648
147 5C03 AGS 0.0002125 0.43132 5.26316
148 1UNH IXM 0.0009265 0.45785 5.28846
149 5COU ATP 0.00003737 0.53099 5.29412
150 5CEO 50D 0.003029 0.43989 5.33333
151 1EXF GLY 0.000557 0.45682 5.3719
152 5JZJ AN2 0.002243 0.40765 5.38721
153 2WEL K88 0.0004029 0.47887 5.50459
154 4AUA 4AU 0.0007983 0.42067 5.53746
155 5H9P TD2 0.004334 0.4255 5.6962
156 5HVJ ANP 0.0002505 0.48897 5.71429
157 4G17 0VN 0.0004084 0.4413 5.75758
158 3GC0 AMP 0.00008954 0.47577 5.77508
159 2PUL ACP 0.0002239 0.44305 5.79345
160 4Y0X ADP 0.00004097 0.48059 5.86667
161 2PYW ADP 0.0000343 0.44537 5.95238
162 2VN9 GVD 0.0000746 0.50416 5.98007
163 1GSA ADP 0.0001057 0.4212 6.01266
164 1S68 AMP 0.0002868 0.46991 6.0241
165 1TQP ATP 0.000169 0.40315 6.02837
166 4GYI ADP 0.00002545 0.50116 6.04534
167 5FUI APY 0.0001978 0.50008 6.06061
168 1CKN GTP 0.002741 0.42981 6.06061
169 1CKM GTP 0.0005024 0.41181 6.06061
170 2R5T ANP 0.00008332 0.42655 6.16622
171 2PVF ACP 0.00142 0.41161 6.28743
172 3H9R TAK 0.006243 0.4128 6.42202
173 4OUC 5ID 0.003957 0.40289 6.44258
174 3WVR AMP 0.00002136 0.49156 6.4877
175 3KRL KRL 0.0003777 0.40704 6.56716
176 4L3L 5FI 0.0001656 0.522 6.57895
177 1UWZ THU 0.006592 0.42119 6.61765
178 5UOX 8GY 0.0004365 0.40561 6.64207
179 3O0G 3O0 0.0005636 0.47342 6.71141
180 4OTH DRN 0.0002805 0.41235 6.74487
181 2V7O DRN 0.00003013 0.52286 6.84524
182 3PTG 932 0.0007534 0.45647 6.88705
183 3LQV ADE 0.003631 0.40857 6.95652
184 4C2W ANP 0.0009288 0.44355 7.16846
185 4BFM ANP 0.0003665 0.41618 7.18563
186 3MTX PGT 0.02944 0.40821 7.28477
187 4BTK DTQ 0.0001758 0.43704 7.4184
188 5EOB 5QQ 0.04378 0.41564 7.52351
189 5K2M ADP 0.0001357 0.40708 7.54717
190 2FB3 GTP 0.01539 0.42052 7.64706
191 3ETH ATP 0.0000016 0.47685 7.74336
192 4GLW 0XT 0.003312 0.4259 7.86885
193 5LI1 ANP 0.0007275 0.40187 7.9096
194 3DAK ANP 0.00211 0.41358 7.93103
195 5LI9 ACP 0.0006425 0.41157 8
196 3NZ1 3NY 0.007796 0.42337 8.04598
197 4B1L FRU 0.006835 0.41983 8.48485
198 5NBW 8SK 0.005123 0.40046 8.8785
199 3V4S ATP 0.000001315 0.47771 9.04393
200 4Y8D 49J 0.0004899 0.42608 9.11765
201 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.002988 0.40187 9.14286
202 2VPQ ANP 0.0004518 0.4057 9.31264
203 5L8L ADP 0.001944 0.42963 9.47368
204 4OCV ANP 0.000181 0.43161 9.49868
205 5LXM ADP 0.002118 0.40676 9.54064
206 1JPA ANP 0.0003248 0.4821 9.61539
207 4NST ADP 0.001614 0.45334 9.70149
208 5EFQ ADP 0.0009974 0.4082 9.70149
209 1I7L ATP 0.0003265 0.4025 9.70874
210 4AZT LY2 0.0007207 0.4492 9.73451
211 4AZW ATP 0.00004813 0.44659 9.73451
212 3AKK ADP 0.003038 0.44188 9.84615
213 4NS0 PIO 0.01406 0.40641 10.5263
214 4DSU BZI 0.01041 0.41044 10.582
215 4LRJ ANP 0.002493 0.40381 10.6509
216 3VOT ADP 0.0000009913 0.57573 10.8235
217 5LXT ACP 0.0002267 0.413 11.1888
218 4CFU 2WC 0.0005664 0.43528 11.2211
219 1TZD ADP 0.000142 0.50982 11.2727
220 4BCM T7Z 0.0002974 0.46848 11.2957
221 4BCQ TJF 0.0005532 0.45257 11.2957
222 4BCN T9N 0.0003123 0.45539 11.3333
223 3PLS ANP 0.002316 0.40223 11.4094
224 4ME6 ADP 0.000001322 0.60286 11.658
225 1W2D ADP 0.0003586 0.46165 11.6981
226 2XG5 EC5 0.003881 0.43314 11.9266
227 2XG5 EC2 0.003881 0.43314 11.9266
228 3ORQ ADP 0.0003954 0.4118 11.9363
229 2Q7D ANP 0.00004905 0.40484 12.1387
230 2VQD AP2 0.0004826 0.40575 12.3894
231 2B9H ADP 0.001606 0.45558 12.4646
232 2B9J ADP 0.001553 0.41009 12.4646
233 4K39 SAM 0.008174 0.41865 13.2432
234 5TDF ADP 0.00005279 0.44196 14.5062
235 2VZ6 FEF 0.0008556 0.43422 14.6965
236 4XYM A12 0.000002409 0.49728 15.2174
237 2BKK ADP 0.0001387 0.49762 15.3846
238 1E4E ADP 0.0000123 0.46805 15.4519
239 4K55 H6P 0.009601 0.40661 16.129
240 1IOW PHY 0.0000313 0.56596 16.3399
241 5LXC 7AA 0.00009853 0.50768 16.4216
242 3WG3 A2G GAL NAG FUC 0.008834 0.41309 16.8539
243 3VPD ANP 0.00001266 0.44921 17.0819
244 4PZ6 GMP 0.001222 0.42159 19.0476
245 4WOE ADP 0.01435 0.40382 19.2478
246 3K5I ADP 0.00004615 0.44747 20.5955
247 4Q5H ANP 0.001173 0.41161 22.3684
248 3BU5 ATP 0.0009308 0.41047 26.6667
249 5LVP ATP 0.000562 0.44465 40
Pocket No.: 2; Query (leader) PDB : 2QK4; Ligand: ATP; Similar sites found: 7
This union binding pocket(no: 2) in the query (biounit: 2qk4.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1M15 ADP 0.04155 0.40247 2.2409
2 1M15 ARG 0.04155 0.40247 2.2409
3 5TT6 ATP 0.0004547 0.4075 2.28426
4 1PS9 FAD 0.04322 0.40906 4.20354
5 1XK5 TPG 0.006588 0.41773 4.41176
6 1VKF CIT 0.01665 0.40138 5.85106
7 2G30 ALA ALA PHE 0.01385 0.40719 14.7287
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