Receptor
PDB id Resolution Class Description Source Keywords
2R7N 2.4 Å EC: 6.3.4.- CRYSTAL STRUCTURE OF FAICAR SYNTHETASE (PURP) FROM M. JANNASCHII COMPLEXED WITH ADP AND FAICAR METHANOCALDOCOCCUS JANNASCHII ATP-GRASP SUPERFAMILY ATP-BINDING LIGASE MAGNESIUM MANGANESE METAL-BINDING NUCLEOTIDE-BINDING
Ref.: CRYSTAL STRUCTURE AND FUNCTION OF 5-FORMAMINOIMIDAZOLE-4-CARBOXAMIDE RIBONUCLEOTIDE SYNTHETASE FROM METHANOCALDOCOCCUS JANNASCHII. BIOCHEMISTRY V. 47 205 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:400;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
CL A:602;
Invalid;
none;
submit data
35.453 Cl [Cl-]
FAI A:401;
Valid;
none;
submit data
366.221 C10 H15 N4 O9 P c1nc(...
SO4 A:500;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2R7K 2.1 Å EC: 6.3.4.- CRYSTAL STRUCTURE OF FAICAR SYNTHETASE (PURP) FROM M. JANNASCHII COMPLEXED WITH AMPPCP AND AICAR METHANOCALDOCOCCUS JANNASCHII ATP-GRASP SUPERFAMILY ATP-BINDING LIGASE MAGNESIUM MANGANESE METAL-BINDING NUCLEOTIDE-BINDING
Ref.: CRYSTAL STRUCTURE AND FUNCTION OF 5-FORMAMINOIMIDAZOLE-4-CARBOXAMIDE RIBONUCLEOTIDE SYNTHETASE FROM METHANOCALDOCOCCUS JANNASCHII. BIOCHEMISTRY V. 47 205 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2R7N - FAI C10 H15 N4 O9 P c1nc(c(n1[....
2 2R7L - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 2R7M - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 2R7K - AMZ C9 H15 N4 O8 P c1nc(c(n1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2R7N - FAI C10 H15 N4 O9 P c1nc(c(n1[....
2 2R7L - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 2R7M - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 2R7K - AMZ C9 H15 N4 O8 P c1nc(c(n1[....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2R87 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2R84 - AMZ C9 H15 N4 O8 P c1nc(c(n1[....
3 2R85 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 2R86 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 2R7N - FAI C10 H15 N4 O9 P c1nc(c(n1[....
6 2R7L - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 2R7M - AMP C10 H14 N5 O7 P c1nc(c2c(n....
8 2R7K - AMZ C9 H15 N4 O8 P c1nc(c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Ligand no: 2; Ligand: FAI; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 FAI 1 1
2 JLN 0.797101 0.971014
3 2ER 0.647727 0.931507
4 AMZ 0.638889 1
5 C2R 0.594595 0.985507
6 1PR 0.593407 0.918919
7 GUO 0.550562 0.971429
8 NIA 0.538462 0.868421
9 AIR 0.506667 0.955882
10 AAM 0.493976 0.888889
11 AMP 0.493827 0.888889
12 A 0.493827 0.888889
13 RBZ 0.487805 0.821918
14 RVP 0.487179 0.9
15 71V 0.482353 0.833333
16 7RP 0.481928 0.847222
17 7RA 0.47619 0.876712
18 1RB 0.47561 0.830986
19 G 0.465909 0.905405
20 5GP 0.465909 0.905405
21 RMB 0.458824 0.819444
22 P2P 0.458824 0.824324
23 IMO 0.458824 0.849315
24 CA0 0.449438 0.891892
25 PMO 0.448276 0.797297
26 2SA 0.446809 0.88
27 IMP 0.443182 0.90411
28 93A 0.438202 0.82716
29 PGS 0.433333 0.810127
30 6C6 0.430108 0.807692
31 ADP 0.426966 0.916667
32 6IA 0.425532 0.768293
33 A2D 0.425287 0.890411
34 5AL 0.421053 0.878378
35 BA3 0.41573 0.890411
36 IRN 0.415584 0.867647
37 MZP 0.414634 0.9
38 25A 0.414141 0.890411
39 ATP 0.413043 0.916667
40 50T 0.413043 0.878378
41 SRP 0.412371 0.855263
42 AP5 0.411111 0.890411
43 B4P 0.411111 0.890411
44 ACQ 0.410526 0.891892
45 ABM 0.409091 0.84
46 AQP 0.408602 0.916667
47 APC 0.408602 0.88
48 5FA 0.408602 0.916667
49 MZR 0.407895 0.8
50 PTJ 0.407767 0.846154
51 AN2 0.406593 0.90411
52 G7M 0.406593 0.87013
53 DLL 0.405941 0.878378
54 AGS 0.404255 0.868421
55 SAP 0.404255 0.868421
56 ADX 0.402174 0.802469
57 AU1 0.402174 0.891892
58 ITT 0.402174 0.863014
59 M33 0.402174 0.878378
60 8QN 0.4 0.878378
61 6K6 0.4 0.851351
62 OOB 0.4 0.878378
63 A12 0.4 0.88
64 AP2 0.4 0.88
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2R7K; Ligand: ACP; Similar sites found: 130
This union binding pocket(no: 1) in the query (biounit: 2r7k.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F4S EFO 0.01922 0.44276 None
2 4BPM GSH 0.007116 0.41795 1.1236
3 2Z9V PXM 0.02586 0.4363 1.66205
4 4KCT FDP 0.02629 0.4244 1.66205
5 3VOZ 04A 0.001795 0.46465 1.90476
6 4Q3S X7A 0.0017 0.43642 1.93906
7 2QV7 ADP 0.04258 0.40849 2.07715
8 2WLT ASP 0.001536 0.43372 2.10843
9 1XP8 AGS 0.0001747 0.42534 2.21607
10 1XX4 BAM 0.01266 0.45419 2.29885
11 2C2A ADP 0.01979 0.42005 2.32558
12 4HE2 AMP 0.0002158 0.45692 2.36686
13 1I0Z OXM 0.03742 0.45316 2.4024
14 3BHO B4P 0.02863 0.46695 2.40385
15 3QV9 QV7 0.02282 0.44352 2.49307
16 4P87 4NP 0.002096 0.43459 2.49307
17 3O2K DST 0.03418 0.43021 2.49307
18 4K30 NLG 0.003033 0.47227 2.5
19 1A5Z OXM 0.0004083 0.55761 2.50784
20 1A5Z FBP 0.0006587 0.47459 2.50784
21 2ZO9 MLI 0.02191 0.42989 2.55474
22 3MAG 3MA 0.002792 0.5283 2.60586
23 1E4E PHY 0.03831 0.41054 2.62391
24 1DXY NAD 0.00000004018 0.40983 2.7027
25 4HPP GLU 0.0001386 0.45117 2.77008
26 2GGH NLQ 0.002287 0.4131 2.77008
27 5DRN 5CT 0.00631 0.50254 2.7907
28 5A2J ALA PRO ASP THR ARG PRO 0.001925 0.52405 2.86885
29 1KTC NGA 0.03867 0.42751 3.04709
30 1JQN DCO 0.001343 0.42516 3.04709
31 3UXL CFI 0.001109 0.40966 3.04709
32 3VGL BGC 0.0002218 0.46296 3.11526
33 3VGL ANP 0.0005095 0.42849 3.11526
34 3DER ALA LYS 0.01489 0.41365 3.18841
35 1ONX ASP 0.005821 0.41854 3.3241
36 2Q1A 2KT 0.001061 0.45862 3.41297
37 1W31 SHO 0.000005692 0.44654 3.50877
38 3NOJ PYR 0.001683 0.49833 3.60111
39 1NVV GNP 0.0001796 0.40652 3.61446
40 1JH7 UVC 0.000287 0.43348 3.7037
41 4FUA PGH 0.01378 0.40497 3.72093
42 1E4I NFG 0.0004999 0.45709 3.87812
43 2Z5Y HRM 0.004176 0.41859 3.87812
44 1Z4V DAN 0.04022 0.41581 3.87812
45 5DTF 5CT 0.002404 0.51853 3.91304
46 2NZ2 ASP 0.006075 0.46767 4.11622
47 2NZ2 CIR 0.001235 0.4429 4.11622
48 3RO7 TDR 0.00000002157 0.41376 4.15094
49 3TI8 LNV 0.0007453 0.4189 4.15512
50 1P1M MET 0.02182 0.4071 4.15512
51 2WL9 MBD 0.0001243 0.48666 4.2623
52 1FX8 BOG 0.0005163 0.48773 4.27046
53 1XIU REA 0.03335 0.41027 4.34783
54 3AIQ HBO 0.00002639 0.44745 4.43213
55 2YP9 SIA CMO 0.01541 0.42635 4.43213
56 3DUR KDO 0.03351 0.43489 4.46429
57 5D6C 57S 0.03175 0.46068 4.54545
58 1ZZ7 S0H 0.01149 0.4539 4.54545
59 4M7J KDA KDO KDO 0.04004 0.44281 4.56621
60 2RHW C0E 0.00001362 0.41977 4.59364
61 1Y0L HAN 0.002808 0.52814 4.62963
62 1T0S BML 0.04352 0.44347 4.65116
63 1ULE GLA GAL NAG 0.04799 0.43113 4.66667
64 2ZWS PLM 0.005643 0.51949 4.70914
65 1BGV GLU 0.00006889 0.45189 4.70914
66 2NCD ADP 0.02632 0.44032 4.70914
67 4QCK ASD 0.01525 0.40569 4.70914
68 1V8K ANP 0.008169 0.40395 4.70914
69 4M7F BM3 0.01179 0.45335 4.86726
70 2J5S KTA 0.003856 0.44679 4.94297
71 3DGB MUC 0.000005267 0.41218 4.98615
72 2GJ3 FAD 0.00000001459 0.41191 5
73 4A8T PAO 0.00000009457 0.46591 5.01475
74 1Y75 NAG 0.02434 0.43347 5.08475
75 1WKL ADP 0.0001382 0.43523 5.10949
76 1WKL ATP 0.00007161 0.42211 5.10949
77 1I2L DCS 0.005176 0.43804 5.20446
78 5T63 ALA ALA ALA ALA 0.001822 0.44943 5.26316
79 1GXU 2HP 0.00004117 0.5138 5.49451
80 3V91 UPG 0.0001117 0.42377 5.49828
81 1MXI SAH 0.04202 0.4032 5.625
82 1K27 MTM 0.0014 0.4271 5.65371
83 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.01337 0.46068 5.66038
84 3EAU NDP 0.000001983 0.40845 5.8104
85 3EAU PDN 0.000001983 0.40845 5.8104
86 1F7K UMP 0.01004 0.40876 5.88235
87 1FNZ A2G 0.0001622 0.49052 5.90717
88 4QN6 LNV 0.0001136 0.44817 6.6482
89 1TV5 ORO 0.02321 0.41861 6.6482
90 1TV5 A26 0.0252 0.40463 6.6482
91 1TV5 N8E 0.04663 0.40127 6.6482
92 1TV5 FMN 0.002322 0.40058 6.6482
93 1CFV E3G 0.0157 0.40522 6.72269
94 2EB5 OXL 0.02736 0.44419 6.74157
95 4IEN GDP 0.01346 0.40418 6.74847
96 4IEN COA 0.008204 0.40175 6.74847
97 5DS8 GLY 5CT GLY ALA 0.006029 0.49203 6.75676
98 4PB2 5UD 0.0114 0.42709 6.92521
99 2C9O ADP 0.0000101 0.41058 7.20222
100 1A8S PPI 0.03402 0.42091 7.32601
101 3CH5 GDP 0.005123 0.40632 7.69231
102 3O9P MHI 0.00004194 0.40379 7.75623
103 1O9U ADZ 0.00005049 0.62029 8
104 3NKT 1HN 0.004103 0.42404 8.03324
105 4DN8 BMA 0.009845 0.46769 8.33333
106 1SJW NGV 0.0009296 0.42059 8.33333
107 1J2Z SOG 0.0003202 0.41825 8.51852
108 2GN2 C5P 0.0002009 0.50521 8.77193
109 2BMK PDD 0.04309 0.43599 8.84956
110 2PP3 LGT 0.02161 0.42485 8.86427
111 4EXO PYR 0.0376 0.4471 8.90411
112 3PHQ KDO 0.001961 0.56008 9.00901
113 1HV9 UD1 0.001216 0.42911 9.14127
114 3NGU ADP 0.03388 0.416 9.93377
115 1FWY UD1 0.008014 0.40209 9.96979
116 1RZM PEP 0.0424 0.42549 10.0592
117 1MH5 HAL 0.01416 0.45417 10.9589
118 1JQ5 NAD 0.0000003709 0.41258 11.0803
119 4QDF 30Q 0.01007 0.40871 11.3573
120 1L3I SAH 0.01375 0.405 11.4583
121 43CA NPO 0.03837 0.46985 11.5044
122 2ET1 GLV 0.0000004855 0.51582 12.4378
123 4TMK T5A 0.000000005947 0.43139 12.6761
124 2PR5 FMN 0.0357 0.40621 14.3939
125 3TKA CTN 0.03477 0.46379 15.2738
126 1B5E DCM 0.04234 0.42169 16.2602
127 2FR6 CTN 0.04866 0.40048 19.1781
128 3KPE TM3 0.0188 0.45284 20.5128
129 4PNO U5P 0.00001814 0.56244 36.1111
130 1UGX GAL MGC 0.003047 0.42336 40
Pocket No.: 2; Query (leader) PDB : 2R7K; Ligand: AMZ; Similar sites found: 253
This union binding pocket(no: 2) in the query (biounit: 2r7k.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F4S EFO 0.01922 0.44276 None
2 4BPM GSH 0.007116 0.41795 1.1236
3 1IA9 ANP 0.0007957 0.45543 1.42857
4 1Q8Y ADE 0.001345 0.47367 1.66205
5 3K5I ADP 0.0005071 0.45989 1.66205
6 2Z9V PXM 0.02586 0.4363 1.66205
7 4KCT FDP 0.02629 0.4244 1.66205
8 3K5I AIR 0.001775 0.40045 1.66205
9 4JDI ANP 0.008854 0.40531 1.7341
10 3LXN MI1 0.004442 0.4185 1.88679
11 3VOZ 04A 0.001795 0.46465 1.90476
12 2PZI AXX 0.0009692 0.47004 1.93906
13 2PUL ACP 0.002748 0.43917 1.93906
14 4Q3S X7A 0.0017 0.43642 1.93906
15 4UWH JXM 0.01148 0.41368 1.93906
16 1OBD ATP 0.001823 0.45662 1.96078
17 1ZY5 ANP 0.002993 0.43744 1.9802
18 3GGF GVD 0.001462 0.45652 1.99336
19 2QV7 ADP 0.04258 0.40849 2.07715
20 2WLT ASP 0.001536 0.43372 2.10843
21 4CS9 AMP 0.001212 0.47546 2.1164
22 1GSA ADP 0.00007418 0.48704 2.21519
23 1XP8 AGS 0.0001747 0.42534 2.21607
24 1I7E IBS 0.01852 0.41824 2.26415
25 4GLW 0XT 0.0005318 0.49434 2.29508
26 1XX4 BAM 0.01266 0.45419 2.29885
27 2Q7D ANP 0.0003252 0.4486 2.31214
28 2C2A ADP 0.01979 0.42005 2.32558
29 4HE2 AMP 0.0002158 0.45692 2.36686
30 2PVF ACP 0.01295 0.40763 2.39521
31 1I0Z OXM 0.03742 0.45316 2.4024
32 3BHO B4P 0.02863 0.46695 2.40385
33 1TQP ATP 0.001969 0.42363 2.48227
34 2Z7R STU 0.003112 0.42185 2.49221
35 3QV9 QV7 0.02282 0.44352 2.49307
36 4P87 4NP 0.002096 0.43459 2.49307
37 3O2K DST 0.03418 0.43021 2.49307
38 2H8H H8H 0.007702 0.41464 2.49307
39 4OAV ACP 0.01246 0.40841 2.49307
40 4H3P ANP 0.01148 0.40667 2.49307
41 4K30 NLG 0.003033 0.47227 2.5
42 1A5Z OXM 0.0004083 0.55761 2.50784
43 1A5Z FBP 0.0006587 0.47459 2.50784
44 2ZO9 MLI 0.02191 0.42989 2.55474
45 2WQN ADP 0.003857 0.4407 2.58065
46 3MAG 3MA 0.002792 0.5283 2.60586
47 1E4E ADP 0.002321 0.4346 2.62391
48 1E4E PHY 0.03831 0.41054 2.62391
49 4I94 ANP 0.003008 0.43734 2.66667
50 4OH4 ANP 0.007333 0.41562 2.7027
51 1DXY NAD 0.00000004018 0.40983 2.7027
52 4HPP GLU 0.0001386 0.45117 2.77008
53 2GGH NLQ 0.002287 0.4131 2.77008
54 3TII ANP 0.00003481 0.41238 2.77008
55 1U59 STU 0.002288 0.43879 2.78746
56 5DRN 5CT 0.00631 0.50254 2.7907
57 5A2J ALA PRO ASP THR ARG PRO 0.001925 0.52405 2.86885
58 3I0O ADP 0.000715 0.48195 2.94985
59 2V7O DRN 0.00003975 0.55211 2.97619
60 3E5A VX6 0.005146 0.40345 2.98507
61 1CKN GTP 0.01451 0.42054 3.0303
62 1CKM GTP 0.01663 0.41749 3.0303
63 2R5T ANP 0.001542 0.43498 3.04709
64 1KTC NGA 0.03867 0.42751 3.04709
65 1JQN DCO 0.001343 0.42516 3.04709
66 3UXL CFI 0.001109 0.40966 3.04709
67 3UIM ANP 0.009575 0.4103 3.06748
68 4IDT T28 0.01701 0.40205 3.08989
69 4DFU QUE 0.0004122 0.50653 3.10559
70 3IDB ANP 0.003466 0.41657 3.10559
71 3VGL BGC 0.0002218 0.46296 3.11526
72 3VGL ANP 0.0005095 0.42849 3.11526
73 2B9J ADP 0.009055 0.41492 3.11615
74 2B9F ADP 0.01257 0.40486 3.11615
75 2B9I ADP 0.01391 0.40283 3.11615
76 3W0O ADP 0.0007083 0.42364 3.15186
77 2F57 23D 0.006419 0.42579 3.15457
78 4FG8 ATP 0.007112 0.4095 3.1746
79 2QLU ADE 0.02449 0.40811 3.18471
80 3DER ALA LYS 0.01489 0.41365 3.18841
81 2VZ6 FEF 0.002952 0.44639 3.19489
82 4GYI ADP 0.0009018 0.47157 3.3241
83 1ONX ASP 0.005821 0.41854 3.3241
84 3ALN ANP 0.01994 0.40942 3.36391
85 4AU8 Z3R 0.003821 0.44549 3.37838
86 2Q1A 2KT 0.001061 0.45862 3.41297
87 4KS7 X4Z 0.007541 0.40229 3.42466
88 1W31 SHO 0.000005692 0.44654 3.50877
89 3NOJ PYR 0.001683 0.49833 3.60111
90 1PK8 ATP 0.0003705 0.44994 3.60111
91 1NVV GNP 0.0001796 0.40652 3.61446
92 2ZV2 609 0.002957 0.45107 3.69128
93 1JH7 UVC 0.000287 0.43348 3.7037
94 3CQL NDG 0.03294 0.40374 3.7037
95 4LH7 1X8 0.0002313 0.5267 3.71517
96 4FUA PGH 0.01378 0.40497 3.72093
97 3FHR P4O 0.01303 0.40096 3.86905
98 2IF8 ADP 0.0001929 0.52388 3.87812
99 4ME6 ADP 0.0003391 0.5142 3.87812
100 3HZT J60 0.0004575 0.49165 3.87812
101 1E4I NFG 0.0004999 0.45709 3.87812
102 2VQD AP2 0.003578 0.42263 3.87812
103 2Z5Y HRM 0.004176 0.41859 3.87812
104 1Z4V DAN 0.04022 0.41581 3.87812
105 5DTF 5CT 0.002404 0.51853 3.91304
106 3M2W L8I 0.001678 0.45838 4.01338
107 2NZ2 ASP 0.006075 0.46767 4.11622
108 2NZ2 CIR 0.001235 0.4429 4.11622
109 3RO7 TDR 0.00000002157 0.41376 4.15094
110 1EHI ADP 0.002042 0.43709 4.15512
111 3VOT ADP 0.000005007 0.43154 4.15512
112 3TI8 LNV 0.0007453 0.4189 4.15512
113 1KJ8 ATP 0.000197 0.41771 4.15512
114 1KJ8 GAR 0.0002129 0.41269 4.15512
115 1P1M MET 0.02182 0.4071 4.15512
116 1AUX AGS 0.00003316 0.52288 4.18006
117 1I7L ATP 0.0003393 0.45525 4.20712
118 3ETH ATP 0.0001496 0.47857 4.22535
119 1IOW PHY 0.0008748 0.43235 4.24837
120 2WL9 MBD 0.0001243 0.48666 4.2623
121 1FX8 BOG 0.0005163 0.48773 4.27046
122 1XIU REA 0.03335 0.41027 4.34783
123 3AIQ HBO 0.00002639 0.44745 4.43213
124 2YP9 SIA CMO 0.01541 0.42635 4.43213
125 3TPV ADE 0.01193 0.40269 4.43213
126 3DUR KDO 0.03351 0.43489 4.46429
127 5D6C 57S 0.03175 0.46068 4.54545
128 1ZZ7 S0H 0.01149 0.4539 4.54545
129 4I6H 1C8 0.01431 0.40227 4.54545
130 4M7J KDA KDO KDO 0.04004 0.44281 4.56621
131 2RHW C0E 0.00001362 0.41977 4.59364
132 4CFU 2WC 0.005078 0.43066 4.62046
133 1Y0L HAN 0.002808 0.52814 4.62963
134 1T0S BML 0.04352 0.44347 4.65116
135 4BCQ TJF 0.006998 0.43231 4.65116
136 4BCN T9N 0.003667 0.44178 4.66667
137 1ULE GLA GAL NAG 0.04799 0.43113 4.66667
138 2ZWS PLM 0.005643 0.51949 4.70914
139 1BGV GLU 0.00006889 0.45189 4.70914
140 2NCD ADP 0.02632 0.44032 4.70914
141 4QCK ASD 0.01525 0.40569 4.70914
142 1V8K ANP 0.008169 0.40395 4.70914
143 4PU5 ANP 0.008202 0.40075 4.70914
144 2QCS ANP 0.005126 0.40075 4.811
145 4F9C 0SX 0.008944 0.41517 4.86111
146 4M7F BM3 0.01179 0.45335 4.86726
147 2J5S KTA 0.003856 0.44679 4.94297
148 3DGB MUC 0.000005267 0.41218 4.98615
149 2GJ3 FAD 0.00000001459 0.41191 5
150 4A8T PAO 0.00000009457 0.46591 5.01475
151 1Y75 NAG 0.02434 0.43347 5.08475
152 1WKL ADP 0.0001382 0.43523 5.10949
153 1WKL ATP 0.00007161 0.42211 5.10949
154 1I2L DCS 0.005176 0.43804 5.20446
155 2F2U M77 0.002275 0.45677 5.26316
156 5T63 ALA ALA ALA ALA 0.001822 0.44943 5.26316
157 3V8S 0HD 0.002618 0.44016 5.26316
158 3RE4 TO1 0.0005475 0.48775 5.42636
159 1ZTH ADP 0.001147 0.47166 5.42636
160 1ZP9 ATP 0.002347 0.4467 5.42636
161 1GXU 2HP 0.00004117 0.5138 5.49451
162 3V91 UPG 0.0001117 0.42377 5.49828
163 3WO0 ALA 0.00004533 0.4324 5.54017
164 1MXI SAH 0.04202 0.4032 5.625
165 3FW3 GLC 0.04057 0.42302 5.6391
166 1K27 MTM 0.0014 0.4271 5.65371
167 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.01337 0.46068 5.66038
168 3EAU NDP 0.000001983 0.40845 5.8104
169 3EAU PDN 0.000001983 0.40845 5.8104
170 3WVR AMP 0.0002978 0.48953 5.81717
171 4AZT LY2 0.003802 0.4456 5.81717
172 4AZW ATP 0.0001865 0.4161 5.81717
173 4NFN 2KC 0.002927 0.43789 5.82524
174 1F7K UMP 0.01004 0.40876 5.88235
175 1FNZ A2G 0.0001622 0.49052 5.90717
176 1CM8 ANP 0.0141 0.40589 6.09418
177 2CFM AMP 0.01858 0.41097 6.37119
178 3V4S ATP 0.00004552 0.50079 6.6482
179 3ORQ ADP 0.0002872 0.47072 6.6482
180 4QN6 LNV 0.0001136 0.44817 6.6482
181 3V4S ADP 0.0001139 0.43089 6.6482
182 1TV5 ORO 0.02321 0.41861 6.6482
183 1TV5 A26 0.0252 0.40463 6.6482
184 1Y57 MPZ 0.007878 0.40149 6.6482
185 1TV5 N8E 0.04663 0.40127 6.6482
186 1TV5 FMN 0.002322 0.40058 6.6482
187 1G41 ADP 0.000326 0.40046 6.6482
188 2VPQ ANP 0.001182 0.40403 6.65188
189 1CFV E3G 0.0157 0.40522 6.72269
190 2EB5 OXL 0.02736 0.44419 6.74157
191 4IEN GDP 0.01346 0.40418 6.74847
192 4IEN COA 0.008204 0.40175 6.74847
193 5DS8 GLY 5CT GLY ALA 0.006029 0.49203 6.75676
194 3VPD ANP 0.0005152 0.40974 6.76157
195 1U5R ATP 0.007469 0.41884 6.89655
196 1TZD ADP 0.0003071 0.52407 6.90909
197 2YRX AMP 0.00005872 0.5555 6.92521
198 4PB2 5UD 0.0114 0.42709 6.92521
199 2VN9 GVD 0.0005752 0.49259 6.97674
200 4LRJ ANP 0.01472 0.40501 7.10059
201 2C9O ADP 0.0000101 0.41058 7.20222
202 1A8S PPI 0.03402 0.42091 7.32601
203 2A19 ANP 0.001585 0.46465 7.42857
204 4BFM ANP 0.004536 0.4181 7.48503
205 1W2D ADP 0.0004593 0.49157 7.54717
206 1W2D 4IP 0.004233 0.40408 7.54717
207 1V0O INR 0.01106 0.40417 7.63889
208 3CH5 GDP 0.005123 0.40632 7.69231
209 2PYW ADP 0.0007437 0.45259 7.75623
210 3ZRM ZRM 0.002163 0.43991 7.75623
211 3O9P MHI 0.00004194 0.40379 7.75623
212 1O9U ADZ 0.0004004 0.5099 8
213 3NKT 1HN 0.004103 0.42404 8.03324
214 2YW2 ATP 0.0002947 0.47023 8.31025
215 4DN8 BMA 0.009845 0.46769 8.33333
216 1SJW NGV 0.0009296 0.42059 8.33333
217 1J2Z SOG 0.0003202 0.41825 8.51852
218 2GN2 C5P 0.0002009 0.50521 8.77193
219 2BMK PDD 0.04309 0.43599 8.84956
220 2PP3 LGT 0.02161 0.42485 8.86427
221 4CFT M48 0.04108 0.40221 8.86427
222 4EXO PYR 0.0376 0.4471 8.90411
223 3PHQ KDO 0.001961 0.56008 9.00901
224 3PDT ADP 0.01171 0.41327 9.09091
225 1HV9 UD1 0.001216 0.42911 9.14127
226 4OCV ANP 0.002853 0.43059 9.69529
227 3NGU ADP 0.03388 0.416 9.93377
228 3KMW ATP 0.00209 0.44474 9.9631
229 1FWY UD1 0.008014 0.40209 9.96979
230 1RZM PEP 0.0424 0.42549 10.0592
231 1MH5 HAL 0.01416 0.45417 10.9589
232 3H9R TAK 0.02012 0.4132 11.0092
233 1JQ5 NAD 0.0000003709 0.41258 11.0803
234 1Z2P I3S 0.0001289 0.42074 11.1111
235 4QDF 30Q 0.01007 0.40871 11.3573
236 1L3I SAH 0.01375 0.405 11.4583
237 4Q5H ANP 0.008919 0.41171 11.4943
238 43CA NPO 0.03837 0.46985 11.5044
239 2ET1 GLV 0.0000004855 0.51582 12.4378
240 4TMK T5A 0.000000005947 0.43139 12.6761
241 3KAL ADP 0.000602 0.41184 13.5734
242 2GQS ADP 0.007841 0.41785 14.346
243 2PR5 FMN 0.0357 0.40621 14.3939
244 3VPB ADP 0.0001888 0.46184 14.539
245 3VPC ADP 0.002378 0.42688 14.539
246 3TKA CTN 0.03477 0.46379 15.2738
247 1B5E DCM 0.04234 0.42169 16.2602
248 3DAK ANP 0.01456 0.40871 18.6207
249 2FR6 CTN 0.04866 0.40048 19.1781
250 3KPE TM3 0.0188 0.45284 20.5128
251 3BU5 ATP 0.007755 0.4145 33.3333
252 4PNO U5P 0.00001814 0.56244 36.1111
253 1UGX GAL MGC 0.003047 0.42336 40
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