-->
Receptor
PDB id Resolution Class Description Source Keywords
4H0T 2.2 Å EC: 2.4.2.31 CRYSTAL STRUCTURE OF IA-ADPR-ACTIN COMPLEX CLOSTRIDIUM PERFRINGENS ADP-RIBOSYLTRANSFERASE TOXIN-STRUCTURAL PROTEIN COMPLEX
Ref.: ARGININE ADP-RIBOSYLATION MECHANISM BASED ON STRUCT SNAPSHOTS OF IOTA-TOXIN AND ACTIN COMPLEX PROC.NATL.ACAD.SCI.USA V. 110 4267 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:510;
A:507;
A:504;
B:405;
B:406;
B:410;
B:407;
B:409;
B:408;
A:509;
A:508;
B:412;
B:411;
B:413;
A:506;
A:505;
A:502;
A:503;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PO4 A:501;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
CA B:402;
Invalid;
none;
submit data
40.078 Ca [Ca+2...
AR6 B:401;
Invalid;
none;
submit data
559.316 C15 H23 N5 O14 P2 c1nc(...
ATP B:404;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
LAR B:403;
Valid;
none;
submit data
421.55 C22 H31 N O5 S C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4H03 1.75 Å EC: 2.4.2.31 CRYSTAL STRUCTURE OF NAD+-IA-ACTIN COMPLEX CLOSTRIDIUM PERFRINGENS ADP-RIBOSYLTRANSFERASE TOXIN-STRUCTURAL PROTEIN COMPLEX
Ref.: ARGININE ADP-RIBOSYLATION MECHANISM BASED ON STRUCT SNAPSHOTS OF IOTA-TOXIN AND ACTIN COMPLEX PROC.NATL.ACAD.SCI.USA V. 110 4267 2013
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4H03 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4H0V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 4H0Y - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 4H0T - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4H0X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4H03 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4H0V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 4H0Y - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 4H0T - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4H0X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4H03 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4H0V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 4H0Y - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 4H0T - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4H0X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
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: LAR; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 LAR 1 1
2 LAB 0.806818 0.983333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4H03; Ligand: ATP; Similar sites found with APoc: 141
This union binding pocket(no: 1) in the query (biounit: 4h03.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 6BOC EU7 None
2 5AR0 GB8 1.86667
3 6G3R ADP 1.86667
4 2CBZ ATP 2.1097
5 1TUU AMP 2.13333
6 1TUU ADP 2.13333
7 3E7S AT2 2.15311
8 4ZLU 4PW 2.4
9 4ZLU ADP 2.4
10 1OGO BGC GLC 2.4
11 2V7Y ADP 2.63158
12 5L2R MLA 2.66667
13 1GVF PGH 2.7972
14 2IVN ANP 3.0303
15 4AF5 CIT 3.15789
16 2CST MAE 3.2
17 4RKK GLC GLC GLC GLC GLC GLC 3.31325
18 6AYU F6P 3.45821
19 5EXW 7DT 3.46667
20 6EOF ADP 3.46667
21 4X1T UDP 3.46667
22 4KCT PYR 3.46667
23 4M00 SUC 3.51201
24 4DXJ IPE 3.59116
25 4RW3 SHV 3.64238
26 2D3N GLC GLC GLC 3.73333
27 6APL C5P 3.74332
28 4CNO 9PY 3.96825
29 2QXL ATP 4
30 5JIC ADP 4.0293
31 5JIC N7E 4.0293
32 2PEL LBT 4.23729
33 5JOG 6LT 4.28016
34 3WXL ADP 4.30622
35 4GNI ATP 4.53333
36 5IUY BOG 4.53333
37 4D1J DGJ 4.54545
38 3I9U DTU 4.56274
39 1FDJ 13P 4.6832
40 2D0O ADP 4.8
41 4XFR CIT 4.8
42 2EB5 OXL 4.86891
43 4A59 AMP 5.02392
44 1I4D GDP 5.20833
45 3LM9 ADP 5.29801
46 3LM9 FRU 5.29801
47 2UYT ADP 5.33333
48 2UYT LRH 5.33333
49 1PFK ADP 5.625
50 3OGN 3OG 5.64516
51 6ASY ATP 5.74163
52 4BR5 ANP 5.74163
53 4OEV OXL 5.74163
54 4QM9 CYS 5.78035
55 6B3V 7DQ 5.78947
56 6B3V ANP 5.78947
57 3WQT ANP 5.86667
58 2YCH ATP 5.86667
59 1TV5 A26 5.86667
60 3TW1 AHN 5.90717
61 1TL2 NDG 5.9322
62 5M45 AMP 5.95238
63 3E3U NVC 6.09137
64 5LPG 71V 6.09756
65 4B9Q ATP 6.13333
66 5EOU ATP 6.1828
67 5FPE 3TR 6.4
68 2BUP ADP 6.4
69 2BUP ATP 6.4
70 1PU7 39A 6.42202
71 4ZQX ATP 6.75105
72 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.80272
73 1SAZ ACP 6.82415
74 5OSW DIU 6.93333
75 3BRE C2E 6.98324
76 4MO4 ACP 7.00809
77 4BGB ADP 7.07692
78 2ZGY GDP 7.1875
79 4JNE ATP 7.2
80 5CGM MAL 7.2
81 1G7C 5GP 7.44681
82 1LOB MMA 7.69231
83 5ZI9 FLC 7.69231
84 4A2B AGS 7.73333
85 3VET TOY 7.73333
86 2ATJ BHO 7.79221
87 5FPN KYD 7.89474
88 3KO0 TFP 7.92079
89 5A96 GTP 8.03213
90 2G2Y MLI 8.11688
91 5XJ7 87O 8.45771
92 5HTX ADP 8.53333
93 4JBL MET 8.55457
94 3VGL ANP 8.72274
95 4LBP 1WG 9
96 6BR8 PGV 9.12698
97 1WDI CIT 9.27536
98 2B4B COA 9.35672
99 2GN3 MAN 9.52381
100 4NPL AKG 9.6
101 1SUW NAP 9.63855
102 2E2P ADP 9.699
103 4CSD MFU 9.92647
104 2GWH PCI 10.0671
105 1XVB 3BR 10.5882
106 1UUY PPI 10.7784
107 4YDU ADP 10.9705
108 6BJO DUY 11.2
109 4MG9 27K 11.3725
110 5JSP DQY 11.4428
111 4CZG ADP 11.4943
112 4CZG QH3 11.4943
113 4JX1 CAH 11.5044
114 6A5Y 9CR 11.7647
115 1GXS DKA 11.8519
116 1RL4 BRR 12.234
117 3KIF GDL 12.2642
118 3LDQ 3P1 13.1579
119 5OCA 9QZ 13.4921
120 3QFU ADP 13.6
121 5OBU ANP 13.8667
122 5OBY ANP 13.9037
123 3KIH GDL 14.433
124 1I06 TZL 15
125 2QWO ADP 15.2174
126 3IWK NAD 15.4667
127 5C9J DAO 16.1616
128 3G6N MET ALA SER 16.2304
129 3K4Z CBI 17.6471
130 2W41 ADP 18.6667
131 5C2N NAG 18.75
132 4YSX MLI 19.8718
133 5LJW ANP 20.4611
134 2V5E SCR 21.5
135 6F7X MFU 24.4444
136 4EHU ANP 24.6377
137 5W97 CHD 24.6575
138 5Z84 PGV 24.6575
139 4A62 ANP 29.4118
140 4A2A ATP 37.5
141 5LY3 ADP 39.2
Pocket No.: 2; Query (leader) PDB : 4H03; Ligand: LAR; Similar sites found with APoc: 149
This union binding pocket(no: 2) in the query (biounit: 4h03.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 5AR0 GB8 1.86667
2 6G3R ADP 1.86667
3 3HP9 CF1 1.91388
4 1TUU AMP 2.13333
5 1TUU ADP 2.13333
6 2HHP FLC 2.15311
7 4ZLU 4PW 2.4
8 4ZLU ADP 2.4
9 1OGO BGC GLC 2.4
10 2V7Y ADP 2.63158
11 5L2R MLA 2.66667
12 2IVN ANP 3.0303
13 4AF5 CIT 3.15789
14 4RKK GLC GLC GLC GLC GLC GLC 3.31325
15 3IP6 PRO 3.37079
16 6AYU F6P 3.45821
17 5EXW 7DT 3.46667
18 6EOF ADP 3.46667
19 4X1T UDP 3.46667
20 3BJC WAN 3.46667
21 4M00 SUC 3.51201
22 4R29 SAM 3.57143
23 4DXJ IPE 3.59116
24 2GCG DGY 3.63636
25 4RW3 SHV 3.64238
26 4RW3 PLM 3.64238
27 2D3N GLC GLC GLC 3.73333
28 6APL C5P 3.74332
29 4L8V NAP 3.85757
30 4CNO 9PY 3.96825
31 2QXL ATP 4
32 5JIC ADP 4.0293
33 5JIC N7E 4.0293
34 2PEL LBT 4.23729
35 5JOG 6LT 4.28016
36 3WXL ADP 4.30622
37 4GNI ATP 4.53333
38 5IUY BOG 4.53333
39 3I9U DTU 4.56274
40 3HLX PQQ 4.65116
41 1FDJ 13P 4.6832
42 4OB6 S2T 4.69208
43 1G16 GDP 4.70588
44 2D0O ADP 4.8
45 4XFR CIT 4.8
46 2EB5 OXL 4.86891
47 1Y7P RIP 4.93274
48 4A59 AMP 5.02392
49 1I4D GDP 5.20833
50 3LM9 ADP 5.29801
51 3LM9 FRU 5.29801
52 2UYT ADP 5.33333
53 2UYT LRH 5.33333
54 3ZQE DXC 5.57377
55 5V3Y 5V8 5.59441
56 3P5P A3C 5.6
57 1PFK ADP 5.625
58 3OGN 3OG 5.64516
59 6ASY ATP 5.74163
60 4BR5 ANP 5.74163
61 4QM9 CYS 5.78035
62 6B3V 7DQ 5.78947
63 6B3V ANP 5.78947
64 3WQT ANP 5.86667
65 2YCH ATP 5.86667
66 1TV5 A26 5.86667
67 3TW1 AHN 5.90717
68 5XJD 87L 5.90909
69 1TL2 NDG 5.9322
70 5M45 AMP 5.95238
71 5GQF GAL NAG 5.98086
72 3E3U NVC 6.09137
73 5LPG 71V 6.09756
74 4B9Q ATP 6.13333
75 5EOU ATP 6.1828
76 5FPE 3TR 6.4
77 2BUP ADP 6.4
78 2BUP ATP 6.4
79 1PU7 39A 6.42202
80 2BCG GER 6.79612
81 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.80272
82 1SAZ ACP 6.82415
83 5OSW DIU 6.93333
84 3BRE C2E 6.98324
85 4MO4 ACP 7.00809
86 4BGB ADP 7.07692
87 4RZB NFQ 7.17703
88 2ZGY GDP 7.1875
89 4JNE ATP 7.2
90 5CGM MAL 7.2
91 1LOB MMA 7.69231
92 5ZI9 FLC 7.69231
93 4A2B AGS 7.73333
94 3VET TOY 7.73333
95 2ATJ BHO 7.79221
96 5FPN KYD 7.89474
97 3KO0 TFP 7.92079
98 5A96 GTP 8.03213
99 3GXO MQA 8.13008
100 5DCH 1YO 8.33333
101 5XJ7 87O 8.45771
102 5HTX ADP 8.53333
103 5XQL C2E 8.59107
104 5LX9 OLB 8.61244
105 3VGL ANP 8.72274
106 4A7W GTP 8.75
107 4LBP 1WG 9
108 6BR8 PGV 9.12698
109 1WDI CIT 9.27536
110 2B4B COA 9.35672
111 2GN3 MAN 9.52381
112 1SUW NAP 9.63855
113 2E2P ADP 9.699
114 2GWH PCI 10.0671
115 1XVB 3BR 10.5882
116 1UUY PPI 10.7784
117 4YDU ADP 10.9705
118 6BJO DUY 11.2
119 5JSP DQY 11.4428
120 4CZG ADP 11.4943
121 4CZG QH3 11.4943
122 4JX1 CAH 11.5044
123 6A5Y 9CR 11.7647
124 1RL4 BRR 12.234
125 3KIF GDL 12.2642
126 1P6O HPY 13.0435
127 3LDQ 3P1 13.1579
128 2BOS GLA GAL 13.2353
129 5OCA 9QZ 13.4921
130 3QFU ADP 13.6
131 5OBU ANP 13.8667
132 5OBY ANP 13.9037
133 3KIH GDL 14.433
134 1XX4 BAM 14.9425
135 2QWO ADP 15.2174
136 3IWK NAD 15.4667
137 3G6N MET ALA SER 16.2304
138 2W41 ADP 18.6667
139 5C2N NAG 18.75
140 5LJW ANP 20.4611
141 2V5E SCR 21.5
142 1H2K OGA 24.3902
143 4EHU ANP 24.6377
144 5Z84 PGV 24.6575
145 4A62 ANP 29.4118
146 2XUM OGA 35
147 1NU4 MLA 36.0825
148 4A2A ATP 37.5
149 5LY3 ADP 39.2
Pocket No.: 3; Query (leader) PDB : 4H03; Ligand: NAD; Similar sites found with APoc: 54
This union binding pocket(no: 3) in the query (biounit: 4h03.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4UUG PXG 2.10843
2 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 2.66667
3 1USF NAP 2.80899
4 3QPB URA 2.83688
5 1EFY BZC 3.14286
6 4PJT 2YQ 3.24324
7 5GLN XYP XYP XYP 3.48837
8 4YJK URA 3.57143
9 3Q9O NAD 3.73333
10 4BUY F37 3.75
11 5YSI NCA 3.94737
12 5W75 SUC 4
13 1G51 AMP 4.26667
14 4J3L AJ5 4.28571
15 3ESS 18N 4.34783
16 6BHV DQV 4.42804
17 5LY1 PPI 4.53333
18 2H29 DND 4.7619
19 4CE5 PDG 5.1051
20 5U97 PIT 5.33333
21 1SBR VIB 5.5
22 2B56 U5P 5.74163
23 5A89 ADP 5.76923
24 5A89 FMN 5.76923
25 2XZ9 PYR 5.8642
26 4MSG 2C6 5.99078
27 6BT4 KPM 6.66667
28 4Z9D NAD 6.85714
29 4GV4 MEJ 7.28291
30 1TOX NAD 7.41627
31 4TXJ THM 7.43243
32 4RF7 ARG 7.46667
33 5LX6 78P 7.8534
34 1NW4 IMH 7.97101
35 5LYH 7B8 8.29016
36 3LGS ADE 8.98876
37 5ZJ5 NAI 9.25926
38 6EK3 OUL 9.50226
39 3KJD 78P 10.0543
40 1PVC ILE SER GLU VAL 10.9244
41 2G30 ALA ALA PHE 12.7907
42 2A5F NAD 14.8571
43 3SAO DBH 15.625
44 5NWD 9C8 16.3265
45 4FXQ G9L 24.1627
46 1XK9 P34 28.3721
47 3B82 NAD 29.9517
48 1OJZ NAD 38.2075
49 2A9K NAD 41.704
50 4XSH NAI 42.9224
51 1GZF NAD 44.0758
52 1GZF NIR 44.0758
53 1GZF ADP 44.0758
54 4FK7 P34 44.1048
APoc FAQ
Feedback