Receptor
PDB id Resolution Class Description Source Keywords
4GCZ 2.3 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF A BLUE-LIGHT PHOTORECEPTOR BACILLUS SUBTILIS, BRADYRHIZOBIUM JAPOORGANISM_TAXID: 224308, 224911 PHOTORECEPTOR SIGNAL TRANSDUCTION TWO-COMPONENT SYSTEM LIOXYGEN-VOLTAGE PER-ARNT-SIM DHP SENSOR HISTIDINE KINASESIGNALING PROTEIN DE NOVO PROTEIN
Ref.: FULL-LENGTH STRUCTURE OF A SENSOR HISTIDINE KINASE COAXIAL COILED COILS AS SIGNAL TRANSDUCERS AND MODU STRUCTURE V. 21 1127 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:405;
B:402;
B:404;
A:406;
B:406;
B:403;
B:407;
A:404;
A:403;
B:405;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ADP A:402;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
FMN B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GCZ 2.3 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF A BLUE-LIGHT PHOTORECEPTOR BACILLUS SUBTILIS, BRADYRHIZOBIUM JAPOORGANISM_TAXID: 224308, 224911 PHOTORECEPTOR SIGNAL TRANSDUCTION TWO-COMPONENT SYSTEM LIOXYGEN-VOLTAGE PER-ARNT-SIM DHP SENSOR HISTIDINE KINASESIGNALING PROTEIN DE NOVO PROTEIN
Ref.: FULL-LENGTH STRUCTURE OF A SENSOR HISTIDINE KINASE COAXIAL COILED COILS AS SIGNAL TRANSDUCERS AND MODU STRUCTURE V. 21 1127 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 4GCZ - ADP C10 H15 N5 O10 P2 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 196 families.
1 4GCZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 4GCZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
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: FMN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAS 0.543307 0.876543
5 FAD 0.543307 0.876543
6 FAE 0.539062 0.865854
7 DAL FAD PER 0.5 0.833333
8 LFN 0.475 0.643836
9 C3F 0.473684 0.74359
10 CF4 0.463918 0.734177
11 FAY 0.446043 0.864198
12 FNR 0.444444 0.909091
13 RFL 0.442857 0.845238
14 4LS 0.411215 0.875
15 1VY 0.406593 0.769231
16 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GCZ; Ligand: ADP; Similar sites found: 61
This union binding pocket(no: 1) in the query (biounit: 4gcz.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4L8F MTX 0.01662 0.41376 1.2987
2 3H4L ANP 0.000001599 0.56892 1.63488
3 1P9B IMO 0.02112 0.41627 1.81818
4 1MAI I3P 0.01381 0.42047 2.29008
5 5LIA 6XN 0.03724 0.41088 2.33766
6 4HY1 19X 0.003197 0.42906 2.5974
7 2AJH MET 0.01073 0.41851 3.06122
8 5F5R ANP 0.000002624 0.50825 3.36134
9 4BAE RWX 0.0004222 0.42768 3.41463
10 4B6C B5U 0.0005683 0.4408 3.57143
11 1S14 NOV 0.01643 0.40803 3.60825
12 4ZVI 4S4 0.0001779 0.46347 3.97878
13 2J5V PCA 0.00793 0.42227 4.35967
14 4WGF HX2 0.01128 0.41609 4.39024
15 2O1V ADP 0.0000002979 0.55013 4.67532
16 1ZXM ANP 0.00000008422 0.52641 4.93506
17 4GDX GLU 0.01638 0.40683 5.19481
18 1QY8 RDI 0.0001204 0.47192 5.20446
19 4EMV 0R9 0.002303 0.4161 5.30973
20 1S16 ANP 0.0000006786 0.52837 5.45455
21 2HKJ RDC 0.00001995 0.44342 5.45455
22 3EHH ADP 0.0004638 0.4246 5.9633
23 1B63 ANP 0.000000003901 0.61927 6.60661
24 5BUK FAD 0.01882 0.41332 6.75325
25 2IOR ADP 0.00001493 0.56174 7.23404
26 2GFD RDA 0.0002095 0.43106 7.62712
27 1P0Z FLC 0.01097 0.42162 7.63359
28 5Y3N 8MF 0.0006161 0.46802 7.79221
29 4URL XAM 0.0004193 0.40838 7.88177
30 2XCM ADP 0.00004928 0.50734 8.41121
31 2BOS GLA GAL GLC 0.008648 0.42501 8.82353
32 2BOS GLA GAL GLC NBU 0.01302 0.42292 8.82353
33 2DT9 THR 0.01092 0.41244 8.98204
34 2ZFZ ARG 0.03415 0.42687 10.1266
35 2ZKJ ADP 0.000000004221 0.48925 10.1299
36 1Y8O ADP 0.0000002596 0.62968 10.1562
37 3EHG ATP 0.0008566 0.45581 10.1562
38 1QZR CDX 0.000001801 0.62688 10.5263
39 1QZR ANP 0.0000001382 0.62688 10.5263
40 2PKA BEN 0.02483 0.40058 11.1842
41 4XCL AGS 0.000003493 0.52453 11.583
42 1GKZ ADP 0.000000005413 0.67171 11.9481
43 1KZN CBN 0.002691 0.42185 12.6829
44 1YC4 43P 0.0001296 0.45498 13.6364
45 1BGQ RDC 0.0001883 0.41838 13.7778
46 4URN NOV 0.006012 0.43019 14.2222
47 3K60 ADP 0.0000283 0.54772 15.2466
48 4GGL CJC 0.002234 0.43176 15.3488
49 3NMQ 7PP 0.0006617 0.45588 15.4812
50 4B7P 9UN 0.00004879 0.53828 15.6522
51 4BIX ADP 0.000003439 0.49855 17.4497
52 2BOI MFU 0.01325 0.41278 19.469
53 1TID ATP 0.000003928 0.54338 22.7941
54 1ID0 ANP 0.000001459 0.53439 30.2632
55 1TH8 ADP 0.00003772 0.47564 31.7241
56 1I58 ADP 0.000008824 0.51062 35.4497
57 1I58 ACP 0.00004703 0.50374 35.4497
58 4PL9 ADP 0.0000004212 0.5577 36.0656
59 2C2A ADP 0.0000002291 0.59715 39.1473
60 3D36 ADP 0.00000000001248 0.76098 41.3934
61 5IDM ANP 0.0000000001862 0.73181 43.0168
Pocket No.: 2; Query (leader) PDB : 4GCZ; Ligand: FMN; Similar sites found: 198
This union binding pocket(no: 2) in the query (biounit: 4gcz.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QKQ MAN 0.0006009 0.44849 None
2 5E89 TD2 0.008379 0.40371 None
3 4IAW LIZ 0.009019 0.41404 1.06383
4 2G30 ALA ALA PHE 0.00004245 0.5522 1.16279
5 4N14 WR7 0.002097 0.44741 1.27389
6 3EW2 BTN 0.01315 0.4061 1.48148
7 3TKI S25 0.0205 0.41244 1.54799
8 2PYW SR1 0.01455 0.41391 1.55844
9 3B50 SLB 0.008247 0.41172 1.6129
10 4WAS COO 0.01748 0.4044 1.64835
11 5BVE 4VG 0.03256 0.40743 1.66205
12 5HCY 60D 0.00494 0.43507 1.81269
13 3LXI CAM 0.02553 0.40202 1.81818
14 1TZD ADP 0.01969 0.40069 1.81818
15 3I27 SID 0.005238 0.43521 1.82292
16 4TWP AXI 0.02543 0.40234 1.84502
17 4D4U FUC NDG GAL FUC 0.02577 0.40046 1.90476
18 2FCU AKG 0.02234 0.40457 1.91693
19 2GC0 PAN 0.00138 0.43459 2.12766
20 5EOB 5QQ 0.02492 0.40905 2.19436
21 2B9I ADP 0.003183 0.41864 2.26629
22 2B9J ADP 0.006051 0.41007 2.26629
23 2B9H ADP 0.005587 0.40437 2.26629
24 5BYZ 4WE 0.009456 0.40985 2.29885
25 4D1J DGJ 0.008924 0.42342 2.33766
26 4YZC STU 0.01388 0.40802 2.33766
27 2HI4 BHF 0.007765 0.40162 2.33766
28 2XMY CDK 0.02095 0.41879 2.34899
29 3GD9 GLC BGC BGC BGC 0.007553 0.41352 2.45232
30 3JQ3 ADP 0.01085 0.41016 2.45902
31 4NFN 2KC 0.009796 0.40065 2.589
32 4KYS VIB 0.008679 0.42404 2.5974
33 1PS9 FAD 0.00885 0.42315 2.5974
34 5IR4 ZPE 0.01102 0.41866 2.5974
35 2C9O ADP 0.002852 0.41168 2.5974
36 3K4Z CBI 0.01696 0.41101 2.5974
37 5IKI A9H 0.01607 0.406 2.5974
38 4OCT AKG 0.01258 0.40704 2.7027
39 3KRR DQX 0.02704 0.41268 2.71186
40 4L4J NAG NAG BMA MAN NAG 0.006896 0.44618 2.71493
41 2Q4X HMH 0.01861 0.40825 2.71493
42 2F2G HMH 0.0187 0.40361 2.71493
43 1Z6K OAA 0.01699 0.40929 2.73038
44 2OG7 SIN 0.02175 0.4003 2.80112
45 1GQG DCD 0.0003858 0.46056 2.85714
46 3F70 MLZ 0.00263 0.42189 2.85714
47 1UWK NAD 0.01185 0.4207 2.85714
48 2ADA HPR 0.004909 0.41038 2.85714
49 2A4W BLM 0.01011 0.40591 2.89855
50 2C4I BTN 0.003676 0.40324 2.95203
51 4RW3 PLM 0.03634 0.40282 2.98013
52 2VDJ HSE 0.008541 0.41977 2.99003
53 2ARC ARA 0.002501 0.44606 3.04878
54 2GJ5 VD3 0.006666 0.42385 3.08642
55 3A6T 8OG 0.005709 0.41121 3.10078
56 5MBC FMN 0.0003822 0.4448 3.11615
57 2OVW CBI 0.002734 0.44957 3.11688
58 4DSU BZI 0.003701 0.44764 3.1746
59 5C3R HMU 0.008317 0.4003 3.207
60 5C3R AKG 0.008317 0.4003 3.207
61 4K55 H6P 0.0001297 0.5174 3.22581
62 5FLJ QUE 0.007227 0.4049 3.22581
63 3KP6 SAL 0.01616 0.42299 3.31126
64 2W5P CL8 0.0182 0.41117 3.3557
65 4BG4 ADP 0.001158 0.43793 3.37079
66 3PUR 2HG 0.0002949 0.50311 3.37662
67 4L6H HCS 0.0108 0.41968 3.37662
68 1Y42 TYR 0.01425 0.41304 3.37662
69 3ACL 3F1 0.008363 0.40374 3.37838
70 2R0D 4IP 0.01728 0.40441 3.45821
71 4JNJ BTN 0.004581 0.41952 3.47826
72 3G5D 1N1 0.01077 0.42745 3.4965
73 3D91 REM 0.03522 0.40637 3.51906
74 2Z77 HE7 0.002425 0.41348 3.59712
75 3DOO SKM 0.01221 0.41799 3.61011
76 1VBH PEP 0.02361 0.40361 3.63636
77 4CS4 AXZ 0.01488 0.41427 3.64964
78 4CS4 ANP 0.01817 0.40463 3.64964
79 5JNN 6LM 0.008569 0.40327 3.68421
80 2X4Z X4Z 0.003682 0.43225 3.71622
81 1SLT NDG GAL 0.01107 0.41389 3.73134
82 1W6P NDG GAL 0.008481 0.40848 3.73134
83 4MNS 2AX 0.02364 0.40715 3.77358
84 2BCG GER 0.01971 0.40157 3.8835
85 4QCK ASD 0.002378 0.43261 3.8961
86 3B6R ADP 0.003765 0.41934 3.8961
87 2CHG ANP 0.001895 0.41236 3.9823
88 3KU0 ADE 0.01288 0.42332 3.98406
89 1QY1 PRZ 0.0008024 0.44472 4.02299
90 2GU8 796 0.03713 0.40131 4.1543
91 5W4W 9WG 0.01412 0.40193 4.15584
92 1X8X TYR 0.01672 0.40104 4.34783
93 2BYC FMN 0.0002758 0.47557 4.37956
94 4YNU LGC 0.03018 0.40355 4.41558
95 4MA6 28E 0.0006228 0.4822 4.4586
96 1N5S ADL 0.009906 0.40043 4.46429
97 3FW9 SLX 0.00528 0.40542 4.67532
98 4TW7 37K 0.01109 0.40132 4.6875
99 5EYP LOC 0.004354 0.41454 4.73373
100 3WYJ H78 0.01162 0.43207 4.74308
101 4XV1 904 0.01194 0.40766 4.79452
102 4WVW SLT 0.001295 0.45966 4.86111
103 4G4P GLN 0.01287 0.41531 4.91803
104 4EKV BTN 0.009047 0.40983 5.03145
105 4CQE CQE 0.01452 0.40816 5.03597
106 4Z3E GAL NGA GLA BGC GAL 0.004792 0.43876 5.05051
107 2YKL NLD 0.01228 0.40356 5.09259
108 4B9K TG0 0.02075 0.40469 5.26316
109 3H0L ADP 0.01401 0.40895 5.31915
110 3BJE URA 0.01521 0.40938 5.44413
111 2WA4 069 0.009622 0.40856 5.44413
112 4BKS X6C 0.01749 0.40989 5.55556
113 4W9F 3JU 0.0203 0.40518 5.55556
114 5IF4 6AK 0.01358 0.40951 5.66038
115 5FU3 BGC BGC BGC 0.02776 0.40001 5.66038
116 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.01246 0.40724 5.71429
117 3T2W BTN 0.009142 0.41376 5.7377
118 2HZQ STR 0.01025 0.42283 5.74713
119 4BVA T3 0.001151 0.46147 5.97015
120 4Z28 BTN 0.008978 0.41414 5.97015
121 4MRP GSH 0.02958 0.41328 5.97403
122 4B0T ADP 0.009673 0.40249 5.97403
123 3W68 VIV 0.001694 0.4092 6.01504
124 1MDC PLM 0.00176 0.43175 6.06061
125 4GGZ BTN 0.01226 0.40358 6.08696
126 5JFS 6K0 0.01833 0.40543 6.16883
127 1OCU PIB 0.003409 0.4608 6.17284
128 5X8I SQZ 0.008495 0.40717 6.35838
129 2J8R MSL 0.02211 0.40539 6.39535
130 3ZKN WZV 0.0165 0.4098 6.42202
131 4XBT FLC 0.002783 0.42121 6.45161
132 4XBT 3ZQ 0.00356 0.41651 6.45161
133 4KQP GLN 0.009393 0.42431 6.46552
134 4UAL 3FV 0.003009 0.41197 6.49351
135 3SHZ 5CO 0.0109 0.41005 6.62824
136 1BHX ASP PHE GLU GLU ILE 0.00581 0.42328 6.66667
137 3RV5 DXC 0.004104 0.49233 6.74157
138 3G9E RO7 0.004437 0.42854 7.01107
139 2JFZ DGL 0.03517 0.40577 7.05882
140 3EXS 5RP 0.01533 0.40287 7.23982
141 1C1L GAL BGC 0.01677 0.40875 7.29927
142 4DQ2 BTX 0.006354 0.41635 7.31707
143 1ECM TSA 0.01836 0.40311 7.33945
144 1YRX FMN 0.0003105 0.46797 7.43802
145 3WH2 FLC 0.01557 0.41412 7.48299
146 4LED XXR 0.01701 0.40333 7.53247
147 4M26 AKG 0.02161 0.40466 7.69231
148 4H07 IPH 0.009377 0.40872 7.79221
149 4POS NAG SIA GAL 0.01084 0.41017 7.91367
150 1ULE GLA GAL NAG 0.004472 0.43725 8
151 4I94 ANP 0.004825 0.41449 8
152 1T0S BML 0.01181 0.40086 8.05195
153 1OGX EQU 0.007985 0.40841 8.39695
154 1VR0 3SL 0.01252 0.41138 8.50202
155 2HFK E4H 0.01424 0.41306 8.57143
156 5DEY 59T 0.01339 0.42138 8.75421
157 1VJY 460 0.007232 0.4164 8.91089
158 3VV5 SLZ 0.007813 0.41706 9.23077
159 1Y75 NAG 0.02119 0.4 9.32203
160 2Q8H TF4 0.004324 0.44646 9.35065
161 5FXD H7Y 0.004703 0.40031 9.61039
162 3PGU OLA 0.004484 0.42871 9.83607
163 5IH9 6BF 0.01048 0.41255 9.85075
164 2ZSC BTN 0.01108 0.40185 9.92908
165 5MRH Q9Z 0.0159 0.40621 10.1299
166 3SAO DBH 0.006344 0.43673 10.625
167 3SAO NKN 0.004427 0.4202 10.625
168 1WUB OTP 0.008512 0.42395 10.6742
169 5U98 1KX 0.02036 0.41682 11.1111
170 1X0P FAD 0.0002313 0.44682 11.1888
171 5L2J 70E 0.02317 0.41843 11.2245
172 5L2J 6UL 0.02192 0.41843 11.2245
173 4XT2 43L 0.0004968 0.43181 11.5702
174 3WG3 A2G GAL NAG FUC 0.00555 0.42892 11.7978
175 5A5W GUO 0.008789 0.42136 11.8577
176 4FFG LBS 0.007103 0.42726 12.2078
177 3T4L ZEA 0.0006017 0.4504 12.2222
178 5HV0 AKG 0.001801 0.4106 12.9032
179 3KDU NKS 0.03228 0.40062 12.9964
180 5EYK 5U5 0.0105 0.40381 13.5593
181 4JH6 FCN 0.003274 0.44028 13.7681
182 1KGI T4A 0.004793 0.41439 14.1732
183 4QXB OGA 0.001079 0.40102 16.1765
184 4WN5 MVC 0.002613 0.42424 20
185 2WKQ FMN 0.00000000000000544 0.91978 21.6867
186 5IXG OTP 0.01065 0.42205 22.4852
187 1KJ1 MAN 0.009912 0.4087 22.9358
188 3LQV ADE 0.0123 0.41892 25.641
189 3P7N FMN 0.0000000000008923 0.82483 25.969
190 3EWK FAD 0.00002417 0.50587 34.3612
191 3D72 FAD 0.00000000000002409 0.69558 39.5973
192 5SVV FMN 0.000000000000002331 0.90697 40.146
193 4HIA FMN 0.000000000001191 0.60884 40.3409
194 4WUJ FMN 0.00000000000006084 0.8749 42.1769
195 3IS2 FAD 0.00000000000001887 0.72873 42.8571
196 5DJT FMN 0.000000000000008549 0.91149 48.2759
197 5EFW FMN 0.00000000000001099 0.90686 48.2759
198 5DJU FMN 0.00000000000003797 0.85852 48.2759
199 2V0U FMN 0.00000000000001765 0.89791 50
Pocket No.: 3; Query (leader) PDB : 4GCZ; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4gcz.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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