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Receptor
PDB id Resolution Class Description Source Keywords
4B1V 1.75 Å NON-ENZYME: MOBILE STRUCTURE OF THE PHACTR1 RPEL-N DOMAIN BOUND TO G-ACTIN ORYCTOLAGUS CUNICULUS STRUCTURAL PROTEIN NUCLEOTIDE-BINDING TRANSCRIPTION REGULATRANSCRIPTION MUSCLE PROTEIN ATP-BINDING CYTOSKELETON
Ref.: STRUCTURES OF THE PHACTR1 RPEL DOMAIN AND RPEL MOTI COMPLEXES WITH G-ACTIN REVEAL THE MOLECULAR BASIS F BINDING COOPERATIVITY. STRUCTURE V. 20 1960 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP B:1377;
A:1377;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG A:1378;
B:1378;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
EDO A:1501;
B:1502;
B:1503;
B:1504;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GOL B:1501;
B:1506;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
LAB A:1500;
B:1500;
Valid;
Valid;
none;
none;
submit data
395.513 C20 H29 N O5 S C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B1V 1.75 Å NON-ENZYME: MOBILE STRUCTURE OF THE PHACTR1 RPEL-N DOMAIN BOUND TO G-ACTIN ORYCTOLAGUS CUNICULUS STRUCTURAL PROTEIN NUCLEOTIDE-BINDING TRANSCRIPTION REGULATRANSCRIPTION MUSCLE PROTEIN ATP-BINDING CYTOSKELETON
Ref.: STRUCTURES OF THE PHACTR1 RPEL DOMAIN AND RPEL MOTI COMPLEXES WITH G-ACTIN REVEAL THE MOLECULAR BASIS F BINDING COOPERATIVITY. STRUCTURE V. 20 1960 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 4B1V - LAB C20 H29 N O5 S C[C@H]1CC[....
2 4B1U - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 56 families.
1 4B1V - LAB C20 H29 N O5 S C[C@H]1CC[....
2 4B1U - ATP C10 H16 N5 O13 P3 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 39 families.
1 4B1V - LAB C20 H29 N O5 S C[C@H]1CC[....
2 4B1U - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 4B1X - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 4B1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 2V51 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 4B1Y - LAB C20 H29 N O5 S C[C@H]1CC[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 SAP 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 2CP 0.4 0.795455
Ligand no: 2; Ligand: LAB; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 LAB 1 1
2 LAR 0.806818 0.983333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4B1V; Ligand: LAB; Similar sites found with APoc: 160
This union binding pocket(no: 1) in the query (biounit: 4b1v.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 3WQM B29 1.3289
2 3HP9 CF1 1.32979
3 3R9V DXC 1.3986
4 4L8V NAP 1.48368
5 2RHO GDP 1.53846
6 6B3V ANP 1.59574
7 6B3V 7DQ 1.59574
8 4D1J DGJ 1.59574
9 5WS9 ATP 1.59574
10 3E7S AT2 1.8617
11 4UBS DIF 1.8617
12 2CIX CEJ 2.00669
13 3K4Z CBI 2.07612
14 6G3R ADP 2.12766
15 5AR0 GB8 2.12766
16 5JIC N7E 2.1978
17 5JIC ADP 2.1978
18 1NAA 6FA 2.39362
19 2WGH DTP 2.39362
20 2GCG DGY 2.42424
21 5KBE IPH 2.62009
22 1SAZ ACP 2.65957
23 5L2R MLA 2.65957
24 4MGA 27L 2.7451
25 1GVF PGH 2.7972
26 1HSR BHO 2.90698
27 4CP8 MLI 2.92553
28 2BOS GLA GAL 2.94118
29 3KC1 2T6 2.96736
30 5XJ7 87O 2.98507
31 2GWH PCI 3.02013
32 2IVN ANP 3.0303
33 3UZO PLP 3.07263
34 5JOG 6LT 3.11284
35 2CST MAE 3.19149
36 4URX FK1 3.24324
37 5EXW 7DT 3.25
38 3IP6 PRO 3.37079
39 4UCC ZKW 3.43348
40 6ASY ATP 3.45745
41 6EOF ADP 3.45745
42 5HJQ I3P 3.45745
43 1Q8O MAN MMA 3.57143
44 4RW3 TDA 3.64238
45 4RW3 PLM 3.64238
46 4RW3 SHV 3.64238
47 4BR5 ANP 3.7234
48 6APL C5P 3.74332
49 5V3Y 5V8 3.84615
50 2QXL ATP 3.98936
51 4A59 AMP 3.98936
52 1Z03 OCH 3.98936
53 3TW1 AHN 4.21941
54 1TL2 NDG 4.23729
55 2EB5 OXL 4.49438
56 4GNI ATP 4.52128
57 5IUY BOG 4.52128
58 3I9U DTU 4.56274
59 3B8Y ADA ADA ADA ADA 4.65116
60 5WKC TP9 4.78723
61 4XFR CIT 4.78723
62 6BJO DUY 4.8
63 3VSV XYS 5.05319
64 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.10204
65 6BR8 PGV 5.15873
66 1VAY AZA 5.22648
67 3G6N MET ALA SER 5.2356
68 3LM9 ADP 5.29801
69 3LM9 FRU 5.29801
70 2UYT LRH 5.31915
71 2UYT ADP 5.31915
72 2Q1A 2KT 5.46075
73 3ZQE DXC 5.57377
74 2D0O ADP 5.6
75 1PFK ADP 5.625
76 4CZG ADP 5.74713
77 4CZG QH3 5.74713
78 1LOB MMA 5.76923
79 2YCH ATP 5.85106
80 3W5N RAM 5.85106
81 4RZB NFQ 5.85106
82 2VWA PTY 5.94059
83 5C9J DAO 6.06061
84 3SQG COM 6.09319
85 4B9Q ATP 6.11702
86 5EOU ATP 6.1828
87 5L8N 6RQ 6.25
88 2BUP ADP 6.38298
89 2BUP ATP 6.38298
90 5FPE 3TR 6.38298
91 2BCG GER 6.79612
92 4MO4 ACP 7.00809
93 5LX9 OLB 7.04225
94 4JNE ATP 7.18085
95 4A62 ANP 7.1875
96 3LN9 FLC 7.19424
97 2B4B COA 7.60234
98 5ZI9 FLC 7.69231
99 3VET TOY 7.71277
100 2ATJ BHO 7.79221
101 3KO0 TFP 7.92079
102 3JQM GTP 8.28025
103 5DCH 1YO 8.33333
104 5HTX ADP 8.51064
105 1L7N ALF 8.53081
106 5XQL C2E 8.59107
107 3VGL ANP 8.72274
108 6CB2 OLC 8.87372
109 5F74 AMP 9.18367
110 1WDI CIT 9.27536
111 2V7Y ADP 9.375
112 1TV5 A26 9.375
113 2E2P ADP 9.699
114 3LDQ 3P1 10.5263
115 1UUY PPI 10.7784
116 5OCA 9QZ 10.9043
117 4YDU ADP 10.9705
118 5JSP DQY 11.4428
119 4YSX MLI 12.5
120 5OES ADP 12.5
121 1Y4Z PCI 12.5
122 5N53 8NB 12.5
123 5LWY OLB 13.4454
124 3QFU ADP 13.5638
125 5OBU ANP 13.8298
126 5OBY ANP 13.9037
127 5N26 73M 15.3846
128 1MT1 AG2 15.3846
129 2HHP FLC 15.625
130 3WXL ADP 15.625
131 2W41 ADP 18.617
132 5FPN KYD 18.75
133 4BGB ADP 18.75
134 5C2N NAG 18.75
135 3BF1 ADP 18.75
136 2W3L DRO 20.8333
137 2V5E SCR 21.5
138 5X2N ALA 21.875
139 6BE0 IHP 21.875
140 4JLV ADP 21.875
141 3WQT ANP 25
142 2QWO ADP 25
143 3MPB FRU 25
144 1TUU ADP 25
145 1TUU AMP 25
146 4EHU ANP 28.125
147 6AYU F6P 28.125
148 1T0S BML 28.125
149 5XJD 87L 28.125
150 4ZLU 4PW 31.25
151 4ZLU ADP 31.25
152 1H5R THM 34.375
153 1NU4 MLA 36.0825
154 4OGQ 7PH 37.931
155 4OGQ 1O2 37.931
156 4OE4 NAD 40.625
157 5OLK DTP 40.625
158 4A2A ATP 43.75
159 4A2B AGS 43.75
160 2WDQ TEO 46.875
Pocket No.: 2; Query (leader) PDB : 4B1V; Ligand: ATP; Similar sites found with APoc: 131
This union binding pocket(no: 2) in the query (biounit: 4b1v.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4L8V NAP 1.48368
2 6B3V ANP 1.59574
3 6B3V 7DQ 1.59574
4 5WS9 ATP 1.59574
5 4D1J DGJ 1.59574
6 3E7S AT2 1.8617
7 6G3R ADP 2.12766
8 5AR0 GB8 2.12766
9 5JIC N7E 2.1978
10 5JIC ADP 2.1978
11 2WGH DTP 2.39362
12 1SAZ ACP 2.65957
13 5L2R MLA 2.65957
14 5BQS 4VN 2.78638
15 1HSR BHO 2.90698
16 4M5P MLA 2.92553
17 4CP8 MLI 2.92553
18 3KC1 2T6 2.96736
19 5XJ7 87O 2.98507
20 2GWH PCI 3.02013
21 2IVN ANP 3.0303
22 3UZO PLP 3.07263
23 1RL4 BRR 3.19149
24 5EXW 7DT 3.25
25 3IP6 PRO 3.37079
26 6ASY ATP 3.45745
27 6EOF ADP 3.45745
28 1D6Z HY1 3.45745
29 5HJQ I3P 3.45745
30 2GMM MAN MAN 3.57143
31 4RW3 SHV 3.64238
32 4BR5 ANP 3.7234
33 6APL C5P 3.74332
34 1M2Z BOG 3.89105
35 2G2Y MLI 3.8961
36 2QXL ATP 3.98936
37 4A59 AMP 3.98936
38 3TW1 AHN 4.21941
39 1TL2 NDG 4.23729
40 2EB5 OXL 4.49438
41 4GNI ATP 4.52128
42 5IUY BOG 4.52128
43 4OUJ LBT 4.56026
44 3I9U DTU 4.56274
45 5WKC TP9 4.78723
46 4XFR CIT 4.78723
47 6BJO DUY 4.8
48 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.10204
49 6BR8 PGV 5.15873
50 1I4D GDP 5.20833
51 1VAY AZA 5.22648
52 3G6N MET ALA SER 5.2356
53 3LM9 ADP 5.29801
54 3LM9 FRU 5.29801
55 2UYT ADP 5.31915
56 2UYT LRH 5.31915
57 2Q1A 2KT 5.46075
58 2D0O ADP 5.6
59 1PFK ADP 5.625
60 4CZG ADP 5.74713
61 4CZG QH3 5.74713
62 1LOB MMA 5.76923
63 2YCH ATP 5.85106
64 5C9J DAO 6.06061
65 3SQG COM 6.09319
66 4B9Q ATP 6.11702
67 5EOU ATP 6.1828
68 5L8N 6RQ 6.25
69 2BUP ADP 6.38298
70 2BUP ATP 6.38298
71 5FPE 3TR 6.38298
72 4USI ATP 6.49351
73 2BCG GER 6.79612
74 4MO4 ACP 7.00809
75 4JNE ATP 7.18085
76 4A62 ANP 7.1875
77 2B4B COA 7.60234
78 5ZI9 FLC 7.69231
79 3VET TOY 7.71277
80 2ATJ BHO 7.79221
81 5X3R 7Y3 7.80488
82 3KO0 TFP 7.92079
83 5HTX ADP 8.51064
84 1L7N ALF 8.53081
85 3VGL ANP 8.72274
86 1WDI CIT 9.27536
87 3KIH GDL 9.27835
88 2V7Y ADP 9.375
89 1GPE FAD 9.375
90 3ETG GTP 9.375
91 2E2P ADP 9.699
92 4CSD MFU 9.92647
93 3LDQ 3P1 10.5263
94 1UUY PPI 10.7784
95 5OCA 9QZ 10.9043
96 4YDU ADP 10.9705
97 5JSP DQY 11.4428
98 4YSX MLI 12.5
99 1Y4Z PCI 12.5
100 6F7X MFU 13.3333
101 3QFU ADP 13.5638
102 5OBU ANP 13.8298
103 5OBY ANP 13.9037
104 5N26 73M 15.3846
105 3WXL ADP 15.625
106 5M45 AMP 15.625
107 3AQT RCO 17.1429
108 2W41 ADP 18.617
109 5FPN KYD 18.75
110 4BGB ADP 18.75
111 5C2N NAG 18.75
112 3BF1 ADP 18.75
113 2V5E SCR 21.5
114 5X2N ALA 21.875
115 4JLV ADP 21.875
116 3WQT ANP 25
117 2QWO ADP 25
118 1TUU ADP 25
119 1TUU AMP 25
120 3MPB FRU 25
121 4DHY GLC 25
122 4EHU ANP 28.125
123 6AYU F6P 28.125
124 4ZLU 4PW 31.25
125 4ZLU ADP 31.25
126 1H5R THM 34.375
127 4OGQ 7PH 37.931
128 4OE4 NAD 40.625
129 4A2A ATP 43.75
130 4A2B AGS 43.75
131 2WDQ TEO 46.875
Pocket No.: 3; Query (leader) PDB : 4B1V; Ligand: LAB; Similar sites found with APoc: 93
This union binding pocket(no: 3) in the query (biounit: 4b1v.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4Y30 49L 1.4245
2 4Y30 SAH 1.4245
3 4GBD MCF 1.59574
4 1SR7 MOF 1.9305
5 4OAR 2S0 1.93798
6 2HI4 BHF 2.12766
7 3V49 PK0 2.25564
8 4J4H NAI 2.3166
9 2AX9 BHM 2.34375
10 1NAA ABL 2.39362
11 1N9G NAP 2.39362
12 4WAS COO 2.47253
13 4WAS NAP 2.47253
14 4MG9 27K 2.7451
15 4TV1 36M 2.78884
16 5K4W THR 2.80374
17 2ZX7 ZX7 2.92553
18 1G8K MGD 3.00752
19 2HFP NSI 3.19149
20 3RY9 1CA 3.2
21 3C9U TPP 3.21637
22 3C9U ADP 3.21637
23 4O4K 2PK 3.27381
24 2HZL PYR 3.28767
25 3G9E RO7 3.32103
26 3FPF TNA 3.3557
27 3FPF MTA 3.3557
28 3U3U EAH 3.43348
29 2Q1H AS4 3.6
30 1SGJ OAA 3.87324
31 4P6X HCY 3.92157
32 1KDK DHT 3.9548
33 5FI4 5XV 3.98936
34 4E2J MOF 4
35 5UFS 1TA 4.03226
36 3PVT 3HC 4.18006
37 2YI0 YI0 4.36681
38 1SAY PYR 4.43213
39 1I7A FLC 4.5045
40 2HJR CIT 4.57317
41 3WGT QSC 4.61095
42 4OKZ 3E9 4.65753
43 5L7G 6QE 4.91803
44 5MWY YNU 4.91803
45 4OYA 1VE 5.05319
46 6FX0 E9T 5.05319
47 5HCV 60R 5.83658
48 2A3I C0R 5.92885
49 3KFC 61X 5.92885
50 3L0E G58 5.92885
51 4LAX FK5 5.94796
52 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 6
53 3HUJ AGH 6.06061
54 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 6.12245
55 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 6.18557
56 5G5G MCN 6.38298
57 3V66 D3A 7.05882
58 1V0C ACO 7.42574
59 3KMZ EQO 8.27068
60 3N7S 3N7 8.69565
61 1DKF BMS 9.3617
62 5Y1G AKB 9.375
63 1GZ4 ATP 9.375
64 3IPQ 965 9.375
65 3HLX PQQ 9.375
66 3C3N FMN 9.375
67 3KB9 BTM 9.375
68 2ZCQ B65 9.55631
69 5DXT 5H5 9.57447
70 4KBS PX2 9.76744
71 4EUU BX7 10.0313
72 3KJS DQ1 12.5
73 3WHB DCC 18.0412
74 3KXC PLM 18.3544
75 1P1M MET 18.75
76 4PFC 2QX 18.75
77 3ETH ATP 18.75
78 3GC8 B45 18.75
79 5U98 1KX 21.875
80 3WCA FPS 21.875
81 5IH9 6BF 21.875
82 2E2R 2OH 21.875
83 2I0G I0G 21.875
84 1RPN GDP 25
85 3EWC MCF 25
86 5OSW DIU 25
87 3R96 AMP 28.125
88 3R96 ACO 28.125
89 3KP6 SAL 28.125
90 1QIN GIP 28.125
91 1UO5 PIH 29.4118
92 2PV7 NAD 34.375
93 4EU7 COA 37.5
Pocket No.: 4; Query (leader) PDB : 4B1V; Ligand: ATP; Similar sites found with APoc: 63
This union binding pocket(no: 4) in the query (biounit: 4b1v.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2RHO GDP 1.53846
2 4MOP 2H5 1.59574
3 3FPZ AHZ 1.84049
4 1Z17 ILE 2.03488
5 4HA6 FAD 2.12766
6 3K5I AIR 2.12766
7 1NAA 6FA 2.39362
8 1NAA ABL 2.39362
9 5OC1 FAD 2.39362
10 3Q9T FAY 2.65957
11 4Q9N NAI 2.68456
12 1GVF PGH 2.7972
13 3LL5 IP8 2.81124
14 6F97 FAD 2.92553
15 2B9W FAD 2.92553
16 2ZQO NGA 3.07692
17 4AMV F6R 3.19149
18 5A96 GTP 3.21285
19 1T26 GBD 3.41615
20 1T26 NAI 3.41615
21 4ZVV NAD 3.61446
22 4ZVV GN0 3.61446
23 3AAQ ARU 4.24929
24 4YNU LGC 4.25532
25 4YNU FAD 4.25532
26 1V35 NAI 4.86322
27 4Z24 FAD 5.05319
28 2GJP MAL 5.31915
29 1RYI GOA 5.31915
30 1RYI FAD 5.31915
31 3L6C MLI 5.58511
32 1YRO UDP 5.69106
33 1NNU TCT 6.9869
34 1NNU NAD 6.9869
35 5NM7 GLY 7.14286
36 6F7L FAD 7.18085
37 4RF7 ARG 7.44681
38 3ITJ FAD 7.69231
39 3VET CP 7.71277
40 3VET ADP 7.71277
41 3QVP FAD 8.51064
42 1L7N AF3 8.53081
43 5FJN BE2 9.375
44 5FJN FAD 9.375
45 1TV5 A26 9.375
46 3KIF GDL 9.43396
47 4M52 M52 9.84043
48 3KJS NAP 12.5
49 2XMY CDK 12.7517
50 3NKS FAD 18.75
51 4DFU QUE 18.75
52 5T63 ALA ALA ALA ALA 21.875
53 5AHN IMP 25
54 1T0S BML 28.125
55 1COY FAD 28.125
56 1COY AND 28.125
57 3KP6 SAL 28.125
58 5HSA FAS 28.125
59 4MO2 FDA 28.125
60 3HRD FAD 31.25
61 6H3O FAD 31.25
62 1D4D FAD 37.5
63 1O94 ADP 46.875
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