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Receptor
PDB id Resolution Class Description Source Keywords
4B1X 1.8 Å NON-ENZYME: MOBILE STRUCTURE OF THE PHACTR1 RPEL-2 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
MG B:1378;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
ATP B:1377;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
LAB B:1376;
Valid;
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
4B1X 1.8 Å NON-ENZYME: MOBILE STRUCTURE OF THE PHACTR1 RPEL-2 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 (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 4B1X - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 56 families.
1 4B1X - 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 : 4B1X; Ligand: LAB; Similar sites found with APoc: 128
This union binding pocket(no: 1) in the query (biounit: 4b1x.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1L6O SER LEU LYS LEU MET THR THR VAL None
2 5IF4 6AK None
3 4Y30 SAH 1.4245
4 4Y30 49L 1.4245
5 5ICE SAH 1.70455
6 2C1X UDP 1.8617
7 2PV7 NAD 2.01342
8 4RKK GLC GLC GLC GLC GLC GLC 2.10843
9 4RVU NDP 2.10843
10 5AR0 GB8 2.12766
11 3T34 GDP 2.22222
12 5HZ9 5M8 2.22222
13 3C3N FMN 2.24359
14 1NFQ NAI 2.30769
15 4J4H NAI 2.3166
16 2E3N 6CM 2.35294
17 4XU6 TDA 2.38095
18 1NP7 FAD 2.39362
19 5B4B LP5 2.41935
20 5HGZ ACO 2.46914
21 4WAS NAP 2.47253
22 3SFI 3SF 2.54237
23 6DEF GCP 2.65957
24 1UUO BRF 2.68817
25 1IID NHM 2.92553
26 3AHO 3A2 2.92553
27 4M5P MLA 2.92553
28 5XJ7 87O 2.98507
29 2GWH PCI 3.02013
30 5JOG 6LT 3.11284
31 2HFP NSI 3.19149
32 3C9U TPP 3.21637
33 3C9U ADP 3.21637
34 5EXW 7DT 3.25
35 4RF2 NAP 3.30882
36 4LY9 S6P 3.45745
37 4H6U ACO 3.5
38 4RW3 SHV 3.64238
39 3BQD DAY 3.92157
40 3PVT 3HC 4.18006
41 3X01 AMP 4.25532
42 4GNI ATP 4.52128
43 3HLX PQQ 4.65116
44 4DP3 NDP 4.78723
45 6BJO DUY 4.8
46 1N1G BCP 4.91803
47 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 5.04202
48 4OYA 1VE 5.05319
49 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.10204
50 3OKI OKI 5.15021
51 4OIV XX9 5.30973
52 3QCP FAD 5.31915
53 5LGA 6VH 5.33333
54 2D0O ADP 5.6
55 4NAT 2W5 5.625
56 4NAT ADP 5.625
57 5CSD ACD 5.66038
58 4CZG QH3 5.74713
59 4CZG ADP 5.74713
60 2YCH ATP 5.85106
61 3WQT ANP 5.85106
62 3KFC 61X 5.92885
63 1S7N COA 6.04396
64 5WL1 D3D 6.06061
65 5WL1 CUY 6.06061
66 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 6.12245
67 5MFI LYS ARG LYS ARG LYS ARG LYS ARG 6.17284
68 5EOU ATP 6.1828
69 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 6.18557
70 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 6.20438
71 4D1J DGJ 6.25
72 5FPE 3TR 6.38298
73 4QVX 3CQ 6.58683
74 5GUF CTP 6.59341
75 2BCG GER 6.79612
76 5N5U 7N8 7.00637
77 4G6I RS3 7.61905
78 1EWF PC1 7.71277
79 3R96 AMP 7.97872
80 3R96 ACO 7.97872
81 3KMR EQN 8.27068
82 4QC6 30N 8.37989
83 5XQL C2E 8.59107
84 5ECP ATP 8.96861
85 5ECP MET 8.96861
86 5ECP JAA 8.96861
87 3NBK PNS 9.03955
88 3L9R L9Q 9.18367
89 3AI7 TPP 9.30851
90 1DKF BMS 9.3617
91 1XW6 GSH 9.375
92 2BW7 ECS 9.58904
93 3ZPG 5GP 9.84043
94 4CSD MFU 9.92647
95 5O0B 9FE 10.4938
96 1UUY PPI 10.7784
97 4NBT NAD 10.8333
98 5OCA 9QZ 10.9043
99 6F7X MFU 13.3333
100 3RMK BML 14.4578
101 2Y69 CHD 15
102 5N26 73M 15.3846
103 1OFZ FUC 15.3846
104 1OFZ FUL 15.3846
105 5IXK 6EW 18.75
106 2QE4 JJ3 18.75
107 2GCG DGY 18.75
108 5FAG PPI 18.75
109 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR 20.2532
110 5Z84 CHD 21.4286
111 5W97 CHD 21.4286
112 5Z84 PGV 21.4286
113 5ZCO PGV 21.4286
114 2DYR PGV 21.4286
115 5ZCO CHD 21.4286
116 2V5E SCR 21.5
117 6EOF ADP 21.875
118 5IUY BOG 21.875
119 1Q2C COA 26.3158
120 2B4D COA 28.125
121 4JNE ATP 31.25
122 4B9Q ATP 31.25
123 2ZCQ B65 31.25
124 3QFU ADP 34.375
125 1NU4 MLA 36.0825
126 4OGQ 7PH 37.931
127 5OBU ANP 43.75
128 5NWI TYR PHE SER SEP ASN 43.75
Pocket No.: 2; Query (leader) PDB : 4B1X; Ligand: ATP; Similar sites found with APoc: 144
This union binding pocket(no: 2) in the query (biounit: 4b1x.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1GPE FAD 1.32979
2 6B3V 7DQ 1.59574
3 6B3V ANP 1.59574
4 3FPZ AHZ 1.84049
5 1Z17 ILE 2.03488
6 5AR0 GB8 2.12766
7 6G3R ADP 2.12766
8 4HA6 FAD 2.12766
9 1ZGS XMM 2.12766
10 5X20 AOT 2.24359
11 4ZLU 4PW 2.39362
12 4ZLU ADP 2.39362
13 4DHY GLC 2.65957
14 1SAZ ACP 2.65957
15 4Q9N NAI 2.68456
16 1H5R THM 2.73038
17 3LL5 IP8 2.81124
18 1HSR BHO 2.90698
19 2IVN ANP 3.0303
20 2ZQO NGA 3.07692
21 3WXL ADP 3.19149
22 1RL4 BRR 3.19149
23 5A96 GTP 3.21285
24 5EXW 7DT 3.25
25 1T26 GBD 3.41615
26 1T26 NAI 3.41615
27 2GMM MAN MAN 3.57143
28 2GN3 MAN 3.57143
29 4ZVV NAD 3.61446
30 4ZVV GN0 3.61446
31 4RW3 SHV 3.64238
32 5I39 FAD 3.7234
33 3HDY FDA 3.7234
34 3HDY GDU 3.7234
35 3RG9 WRA 3.75
36 3RG9 NDP 3.75
37 2QXL ATP 3.98936
38 4BGB ADP 4
39 3TW1 AHN 4.21941
40 2PEL LBT 4.23729
41 1TL2 NDG 4.23729
42 3AAQ ARU 4.24929
43 4YNU LGC 4.25532
44 4YNU FAD 4.25532
45 5AHN IMP 4.25532
46 2EB5 OXL 4.49438
47 4GNI ATP 4.52128
48 5ZYN FAD 4.78723
49 5H6S HDH 5.05319
50 4OE4 NAD 5.17241
51 3LM9 ADP 5.29801
52 3LM9 FRU 5.29801
53 2UYT ADP 5.31915
54 2UYT LRH 5.31915
55 1RYI FAD 5.31915
56 2D0O ADP 5.6
57 1PFK ADP 5.625
58 4CZG ADP 5.74713
59 4CZG QH3 5.74713
60 3WQT ANP 5.85106
61 2YCH ATP 5.85106
62 5C9J DAO 6.06061
63 5EOU ATP 6.1828
64 4Z24 FAD 6.25
65 3HRD FAD 6.25
66 5FPE 3TR 6.38298
67 2BUP ADP 6.38298
68 2BUP ATP 6.38298
69 4USI ATP 6.49351
70 5J60 FAD 6.5625
71 3BRE C2E 6.70391
72 5T63 ALA ALA ALA ALA 6.81199
73 3BF1 ADP 6.82731
74 4MO4 ACP 7.00809
75 4A62 ANP 7.1875
76 5X2N ALA 7.55556
77 4A2B AGS 7.71277
78 3VET TOY 7.71277
79 3VET ADP 7.71277
80 3VET CP 7.71277
81 2ATJ BHO 7.79221
82 3KO0 TFP 7.92079
83 5HTX ADP 8.51064
84 3QVP FAD 8.51064
85 5OC1 FAD 9.375
86 5WKC TP9 9.375
87 3KIF GDL 9.43396
88 2E2P ADP 9.699
89 4M52 M52 9.84043
90 3LDQ 3P1 10.5263
91 4YDU ADP 10.9705
92 1WDI CIT 12.5
93 1COY FAD 12.5
94 1COY AND 12.5
95 1NAA 6FA 12.5
96 1NAA ABL 12.5
97 4RPL 3UC 12.5
98 4RPL FAD 12.5
99 1V6A TRE 12.5
100 1D4D FAD 13.5638
101 2QWO ADP 15.2174
102 5FPN KYD 15.625
103 4AMV F6R 15.625
104 5FJN BE2 15.625
105 5FJN FAD 15.625
106 3Q9T FAY 15.625
107 3AQT RCO 17.1429
108 2W41 ADP 18.617
109 4BR5 ANP 18.75
110 3I9U DTU 18.75
111 5C2N NAG 18.75
112 3GDN FAD 18.75
113 2WDQ TEO 18.75
114 1O94 ADP 18.75
115 6ASY ATP 21.875
116 6EOF ADP 21.875
117 4YSX MLI 21.875
118 3VGL ANP 21.875
119 3WLV AZA 21.875
120 1NNU NAD 21.875
121 1NNU TCT 21.875
122 1TV5 A26 21.875
123 5HSA FAS 21.875
124 3QJ4 FAD 21.875
125 4EHU ANP 24.6377
126 2V7Y ADP 25
127 5JIC ADP 25
128 5JIC N7E 25
129 6H3O FAD 25
130 1TUU ADP 25
131 6F97 FAD 25
132 1TUU AMP 25
133 2GAG FAD 25
134 4MOP 2H5 28.125
135 5M45 AMP 28.125
136 4JNE ATP 31.25
137 4B9Q ATP 31.25
138 2XMY CDK 31.25
139 5WS9 ATP 31.25
140 3QFU ADP 34.375
141 4A2A ATP 37.5
142 5OBY ANP 43.75
143 5OBU ANP 43.75
144 4A59 AMP 46.875
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