Receptor
PDB id Resolution Class Description Source Keywords
3QUR 1.57 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FOSFOMYCIN RESISTANCE KINASE FOMA FROM STREPTOMYCES WEDMORENSIS COMPLEXED WITH MGADP AND FOSFOMYCIM ONOPHOSPHATE STREPTOMYCES WEDMORENSIS FOSFOMYCIN ANTIBIOTIC RESISTANCE PHOSPHORYL TRANSFER KINATRANSFERASE
Ref.: STRUCTURAL AND BIOCHEMICAL INSIGHTS INTO THE MECHAN FOSFOMYCIN PHOSPHORYLATION BY FOSFOMYCIN RESISTANCE FOMA. BIOCHEMISTRY V. 50 6909 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:1260;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
FM4 A:2000;
Valid;
none;
submit data
218.039 C3 H8 O7 P2 C[C@H...
MG A:3000;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QUR 1.57 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FOSFOMYCIN RESISTANCE KINASE FOMA FROM STREPTOMYCES WEDMORENSIS COMPLEXED WITH MGADP AND FOSFOMYCIM ONOPHOSPHATE STREPTOMYCES WEDMORENSIS FOSFOMYCIN ANTIBIOTIC RESISTANCE PHOSPHORYL TRANSFER KINATRANSFERASE
Ref.: STRUCTURAL AND BIOCHEMICAL INSIGHTS INTO THE MECHAN FOSFOMYCIN PHOSPHORYLATION BY FOSFOMYCIN RESISTANCE FOMA. BIOCHEMISTRY V. 50 6909 2011
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3QUR - FM4 C3 H8 O7 P2 C[C@H]1[C@....
2 3QUO - FCN C3 H7 O4 P C[C@H]1[C@....
3 3QUN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3D41 - FCN C3 H7 O4 P C[C@H]1[C@....
5 3QVF - FV1 C3 H8 O7 P V C[C@H]1[C@....
6 3QVH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3QUR - FM4 C3 H8 O7 P2 C[C@H]1[C@....
2 3QUO - FCN C3 H7 O4 P C[C@H]1[C@....
3 3QUN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3D41 - FCN C3 H7 O4 P C[C@H]1[C@....
5 3QVF - FV1 C3 H8 O7 P V C[C@H]1[C@....
6 3QVH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3QUR - FM4 C3 H8 O7 P2 C[C@H]1[C@....
2 3QUO - FCN C3 H7 O4 P C[C@H]1[C@....
3 3QUN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3D41 - FCN C3 H7 O4 P C[C@H]1[C@....
5 3QVF - FV1 C3 H8 O7 P V C[C@H]1[C@....
6 3QVH - 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: FM4; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 FM4 1 1
2 FCN 0.481481 0.903226
3 FV1 0.457143 0.939394
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QUR; Ligand: ADP; Similar sites found: 125
This union binding pocket(no: 1) in the query (biounit: 3qur.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.002918 0.49526 None
2 1ZJ6 G3D 0.004913 0.41696 1.06952
3 1Y42 TYR 0.01152 0.415 1.74825
4 4DYO SD4 0.01729 0.40288 1.74825
5 2BNF UTP 0.00005667 0.43456 2.07469
6 1O9U ADZ 0.004278 0.46694 2.0979
7 4LHM AZZ 0.004999 0.43637 2.0979
8 3QV9 QV7 0.005763 0.43357 2.0979
9 2PP3 LGT 0.002487 0.42428 2.0979
10 4DEM YS4 0.0063 0.40229 2.0979
11 3I0O SMI 0.00342 0.44384 2.44755
12 4KCT FDP 0.004561 0.41826 2.44755
13 1E19 ADP 0.0277 0.41802 2.44755
14 1H82 FAD 0.001094 0.41357 2.44755
15 3FC4 EDO 0.001265 0.40917 2.44755
16 1C0I BE2 0.00113 0.40434 2.44755
17 1C0I FAD 0.00113 0.40434 2.44755
18 3NFZ 3NF 0.01185 0.40161 2.44755
19 4MP8 NAD 0.000739 0.40112 2.44755
20 4MP8 MLI 0.000739 0.40112 2.44755
21 2J07 FAD 0.001887 0.40043 2.44755
22 2J07 HDF 0.001887 0.40043 2.44755
23 1RZM PEP 0.002394 0.44495 2.7972
24 2V6O FAD 0.0007232 0.42936 2.7972
25 1RZM E4P 0.01806 0.42149 2.7972
26 1T26 NAI 0.004194 0.41321 2.7972
27 1T26 GBD 0.004194 0.41321 2.7972
28 1ZK7 FAD 0.000871 0.40772 2.7972
29 3DGB MUC 0.009209 0.40601 2.7972
30 4JWX 1N4 0.01655 0.40807 2.85714
31 4PTZ FMN 0.005462 0.40329 3.14136
32 4M5P MLA 0.001977 0.49408 3.14685
33 4M5P 23W 0.002432 0.47141 3.14685
34 2Q8H TF4 0.005456 0.4614 3.14685
35 2Z9V PXM 0.008499 0.42081 3.14685
36 1U5R ATP 0.002443 0.42028 3.14685
37 1EXB NDP 0.002972 0.4083 3.14685
38 4E28 9MZ 0.03521 0.40231 3.14685
39 3F81 STT 0.008041 0.45256 3.27869
40 1ULE GLA GAL NAG 0.007827 0.44583 3.33333
41 2EB5 OXL 0.0001676 0.51123 3.37079
42 2QCX PF1 0.008607 0.42567 3.42205
43 2FR6 CTN 0.00407 0.40434 3.42466
44 1I0Z OXM 0.005952 0.45942 3.4965
45 1Z44 NPO 0.02899 0.43792 3.4965
46 2NCD ADP 0.004721 0.4375 3.4965
47 2QV7 ADP 0.001602 0.42722 3.4965
48 3K37 BCZ 0.002283 0.41562 3.4965
49 1SQ5 ADP 0.007315 0.41002 3.4965
50 1SAY PYR 0.009852 0.40859 3.4965
51 1K97 CIR 0.005108 0.40528 3.4965
52 1K97 ASP 0.005108 0.40528 3.4965
53 3M31 FAD 0.001627 0.40421 3.4965
54 1SQ5 PAU 0.02332 0.40148 3.4965
55 1ZK4 AC0 0.002613 0.4137 3.58566
56 1ZK4 NAP 0.002613 0.4137 3.58566
57 1Y9Q MED 0.02146 0.41251 3.64583
58 1NYT NAP 0.001266 0.40121 3.69004
59 1MXI SAH 0.003101 0.40859 3.75
60 1MZV AMP 0.004614 0.42255 3.82979
61 1XX4 BAM 0.008847 0.45038 3.83142
62 4KOA NDP 0.006127 0.40145 3.84615
63 4COQ SAN 0.00404 0.44659 4.04858
64 2Y7P SAL 0.005592 0.42879 4.12844
65 2RHW C0E 0.000371 0.4314 4.1958
66 1VDC FAD 0.00142 0.40326 4.1958
67 3MAG 3MA 0.001791 0.49642 4.23453
68 3MAG SAH 0.001819 0.41312 4.23453
69 1Q0H FOM 0.0002325 0.42486 4.54545
70 1QF5 RPL 0.0007062 0.4124 4.54545
71 1QF5 GDP 0.0007062 0.4124 4.54545
72 1YBH FAD 0.006691 0.40349 4.54545
73 2O2C G6Q 0.007029 0.40287 4.54545
74 3UEC ALA ARG TPO LYS 0.04342 0.40277 4.79452
75 2IZ1 ATR 0.002907 0.45328 4.8951
76 3BY8 MLT 0.02341 0.41598 4.92958
77 1EYE PMM 0.002211 0.43086 5
78 3A2Y TS5 0.004756 0.40551 5.07614
79 3S9K CIT 0.0005036 0.5415 5.08475
80 1C1L GAL BGC 0.02562 0.41406 5.10949
81 1G8S MET 0.005005 0.44223 5.21739
82 3P7I P7I 0.003379 0.43838 5.24476
83 1WDA BAG 0.003039 0.43504 5.24476
84 3SHR CMP 0.0003232 0.47014 5.59441
85 1T0S BML 0.001607 0.48047 5.81395
86 2WE5 ADP 0.00000001344 0.45375 5.94406
87 1N9L FMN 0.002417 0.41249 6.42202
88 4F4S EFO 0.001431 0.45473 6.57895
89 1V6A TRE 0.004599 0.43801 6.64336
90 3P3N AKG 0.01262 0.42338 6.64336
91 1CKM GTP 0.01279 0.40847 6.64336
92 4K30 NLG 0.004011 0.43512 6.875
93 2Q97 ATP 0.00005315 0.40307 6.97674
94 3QDT A2G GAL 0.004091 0.46004 6.99301
95 2XDQ MGX 0.007527 0.45407 6.99301
96 2Q1S NAI 0.001234 0.40123 7.34266
97 3WE0 FAD 0.0008968 0.40533 7.69231
98 3F8C HT1 0.02107 0.40797 7.93651
99 4CS4 ANP 0.0005633 0.40451 8.39416
100 1SS4 CIT 0.01586 0.46966 8.49673
101 1SS4 GSH 0.03476 0.43592 8.49673
102 3OIG NAD 0.002792 0.40243 9.02256
103 1Q11 TYE 0.008887 0.41995 9.09091
104 1A5Z OXM 0.03694 0.41163 9.09091
105 4CCO OGA 0.02059 0.40387 9.09091
106 1M5B BN1 0.002473 0.40258 9.12547
107 2QLX RM4 0.01099 0.43202 9.25926
108 2XVE FAD 0.000721 0.42234 9.79021
109 1BTN I3P 0.004517 0.49299 10.3774
110 4RJK PYR 0.008881 0.44306 10.4895
111 1TDF NAP 0.0003418 0.43848 10.4895
112 3LTW HLZ 0.007471 0.43407 10.8392
113 1PEA ACM 0.006064 0.45142 11.1888
114 2RDT 2RD 0.001275 0.41743 11.5385
115 3KJQ B94 0.008013 0.40843 11.5789
116 2PR5 FMN 0.001572 0.4192 12.8788
117 2F2U M77 0.006454 0.41653 13.2867
118 4F8L GAL 0.002467 0.49943 16.5517
119 2FYU FDN 0.004589 0.40247 19.3548
120 2V5E SCR 0.04152 0.42142 26.7327
121 3LL5 ATP 0.01145 0.43116 28.9157
122 3LL5 ADP 0.002349 0.42749 28.9157
123 3LL5 IPE 0.003327 0.42604 28.9157
124 1GS5 ANP 0.000000000009224 0.61833 32.9457
125 1GS5 NLG 0.000000000009224 0.61833 32.9457
Pocket No.: 2; Query (leader) PDB : 3QUR; Ligand: FM4; Similar sites found: 137
This union binding pocket(no: 2) in the query (biounit: 3qur.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.002918 0.49526 None
2 1ZJ6 G3D 0.004913 0.41696 1.06952
3 1Y42 TYR 0.01152 0.415 1.74825
4 4DYO SD4 0.01729 0.40288 1.74825
5 2BNF UTP 0.0004851 0.40664 2.07469
6 1O9U ADZ 0.004278 0.46694 2.0979
7 4LHM AZZ 0.004999 0.43637 2.0979
8 3QV9 QV7 0.005763 0.43357 2.0979
9 2PP3 LGT 0.002487 0.42428 2.0979
10 4DEM YS4 0.0063 0.40229 2.0979
11 1E19 ADP 0.0000009202 0.60019 2.44755
12 3I0O SMI 0.00342 0.44384 2.44755
13 4JZ8 CIT 0.02246 0.41926 2.44755
14 4KCT FDP 0.004561 0.41826 2.44755
15 1H82 FAD 0.001094 0.41357 2.44755
16 3FC4 EDO 0.001265 0.40917 2.44755
17 1C0I FAD 0.00113 0.40434 2.44755
18 1C0I BE2 0.00113 0.40434 2.44755
19 3NFZ 3NF 0.01185 0.40161 2.44755
20 4MP8 NAD 0.000739 0.40112 2.44755
21 4MP8 MLI 0.000739 0.40112 2.44755
22 2J07 HDF 0.001887 0.40043 2.44755
23 2J07 FAD 0.001887 0.40043 2.44755
24 1RZM PEP 0.002394 0.44495 2.7972
25 2J0W ADP 0.000007262 0.43643 2.7972
26 2V6O FAD 0.0007232 0.42936 2.7972
27 1RZM E4P 0.01806 0.42149 2.7972
28 1T26 NAI 0.004194 0.41321 2.7972
29 1T26 GBD 0.004194 0.41321 2.7972
30 1ZK7 FAD 0.000871 0.40772 2.7972
31 3DGB MUC 0.009209 0.40601 2.7972
32 4JWX 1N4 0.01655 0.40807 2.85714
33 4PTZ FMN 0.005462 0.40329 3.14136
34 4M5P MLA 0.001977 0.49408 3.14685
35 4M5P 23W 0.002432 0.47141 3.14685
36 2Q8H TF4 0.005456 0.4614 3.14685
37 2Z9V PXM 0.008499 0.42081 3.14685
38 1U5R ATP 0.002443 0.42028 3.14685
39 1EXB NDP 0.002972 0.4083 3.14685
40 4E28 9MZ 0.03521 0.40231 3.14685
41 3F81 STT 0.008041 0.45256 3.27869
42 1ULE GLA GAL NAG 0.007827 0.44583 3.33333
43 2EB5 OXL 0.0001676 0.51123 3.37079
44 2QCX PF1 0.008607 0.42567 3.42205
45 2FR6 CTN 0.00407 0.40434 3.42466
46 3C1M ANP 0.000001354 0.57252 3.4965
47 1I0Z OXM 0.005952 0.45942 3.4965
48 1Z44 NPO 0.02899 0.43792 3.4965
49 2NCD ADP 0.004721 0.4375 3.4965
50 2QV7 ADP 0.001602 0.42722 3.4965
51 3K37 BCZ 0.002283 0.41562 3.4965
52 1SQ5 ADP 0.007315 0.41002 3.4965
53 1SAY PYR 0.009852 0.40859 3.4965
54 1K97 CIR 0.005108 0.40528 3.4965
55 1K97 ASP 0.005108 0.40528 3.4965
56 3M31 FAD 0.001627 0.40421 3.4965
57 1SQ5 PAU 0.02332 0.40148 3.4965
58 1ZK4 NAP 0.002613 0.4137 3.58566
59 1ZK4 AC0 0.002613 0.4137 3.58566
60 1Y9Q MED 0.02146 0.41251 3.64583
61 1NYT NAP 0.001266 0.40121 3.69004
62 1MXI SAH 0.003101 0.40859 3.75
63 1MZV AMP 0.004614 0.42255 3.82979
64 1XX4 BAM 0.008847 0.45038 3.83142
65 4KOA NDP 0.006127 0.40145 3.84615
66 4COQ SAN 0.00404 0.44659 4.04858
67 2Y7P SAL 0.005592 0.42879 4.12844
68 2RHW C0E 0.000371 0.4314 4.1958
69 1VDC FAD 0.00142 0.40326 4.1958
70 3MAG 3MA 0.001791 0.49642 4.23453
71 3MAG SAH 0.001819 0.41312 4.23453
72 1Q0H FOM 0.0002325 0.42486 4.54545
73 1QF5 GDP 0.0007062 0.4124 4.54545
74 1QF5 RPL 0.0007062 0.4124 4.54545
75 1YBH FAD 0.006691 0.40349 4.54545
76 2O2C G6Q 0.007029 0.40287 4.54545
77 3UEC ALA ARG TPO LYS 0.04342 0.40277 4.79452
78 2IZ1 ATR 0.002907 0.45328 4.8951
79 1GPM CIT 0.03853 0.4083 4.8951
80 3BY8 MLT 0.02341 0.41598 4.92958
81 1EYE PMM 0.002211 0.43086 5
82 3A2Y TS5 0.004756 0.40551 5.07614
83 3S9K CIT 0.0005036 0.5415 5.08475
84 1C1L GAL BGC 0.02562 0.41406 5.10949
85 1G8S MET 0.005005 0.44223 5.21739
86 3P7I P7I 0.003379 0.43838 5.24476
87 1WDA BAG 0.003039 0.43504 5.24476
88 3SHR CMP 0.0003232 0.47014 5.59441
89 1T0S BML 0.001607 0.48047 5.81395
90 2WE5 ADP 0.000009764 0.42343 5.94406
91 1QD0 RR6 0.02961 0.40076 6.25
92 1N9L FMN 0.002417 0.41249 6.42202
93 4F4S EFO 0.001431 0.45473 6.57895
94 1V6A TRE 0.004599 0.43801 6.64336
95 3P3N AKG 0.01262 0.42338 6.64336
96 1CKM GTP 0.01279 0.40847 6.64336
97 4K30 NLG 0.004011 0.43512 6.875
98 2Q97 ATP 0.00005315 0.40307 6.97674
99 3QDT A2G GAL 0.004091 0.46004 6.99301
100 2XDQ MGX 0.007527 0.45407 6.99301
101 2Q1S NAI 0.001234 0.40123 7.34266
102 3WE0 FAD 0.0008968 0.40533 7.69231
103 3F8C HT1 0.02107 0.40797 7.93651
104 4CS4 ANP 0.0005633 0.40451 8.39416
105 1SS4 CIT 0.01586 0.46966 8.49673
106 1SS4 GSH 0.03476 0.43592 8.49673
107 3OIG NAD 0.002792 0.40243 9.02256
108 1Q11 TYE 0.008887 0.41995 9.09091
109 1A5Z OXM 0.03694 0.41163 9.09091
110 4CCO OGA 0.02059 0.40387 9.09091
111 1M5B BN1 0.002473 0.40258 9.12547
112 2QLX RM4 0.01099 0.43202 9.25926
113 1FQJ ALF 0.04806 0.40134 9.44056
114 2XVE FAD 0.000721 0.42234 9.79021
115 2AKO ADP 0.01106 0.41468 9.96016
116 1BTN I3P 0.004517 0.49299 10.3774
117 4RJK PYR 0.008881 0.44306 10.4895
118 1TDF NAP 0.0003418 0.43848 10.4895
119 3LTW HLZ 0.007471 0.43407 10.8392
120 1PEA ACM 0.006064 0.45142 11.1888
121 2RDT 2RD 0.001275 0.41743 11.5385
122 3KJQ B94 0.008013 0.40843 11.5789
123 4JOB TLA 0.03595 0.41474 12.2378
124 2PR5 FMN 0.001572 0.4192 12.8788
125 2F2U M77 0.006454 0.41653 13.2867
126 4F8L GAL 0.002467 0.49943 16.5517
127 2J5V RGP 0.02601 0.41582 19.2308
128 2FYU FDN 0.004589 0.40247 19.3548
129 2J4K U5P 0.000001513 0.49257 25.2212
130 2V5E SCR 0.04152 0.42142 26.7327
131 3LL5 ATP 0.000003071 0.56304 28.9157
132 3LL5 IPE 0.00000008489 0.56252 28.9157
133 3LL5 ADP 0.00000004474 0.55798 28.9157
134 3LL5 IP8 0.004592 0.45729 28.9157
135 1GS5 ANP 0.000000000009224 0.61833 32.9457
136 1GS5 NLG 0.0000000928 0.57288 32.9457
137 3LL9 ADP 0.000000808 0.61034 42.0074
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