-->
Receptor
PDB id Resolution Class Description Source Keywords
4O1G 1.5 Å EC: 2.7.1.20 MTB ADENOSINE KINASE IN COMPLEX WITH GAMMA-THIO-ATP MYCOBACTERIUM TUBERCULOSIS ADENOSINE KINASE TRANSFERASE
Ref.: STRUCTURAL BASIS FOR INHIBITION OF MYCOBACTERIAL AN ADENOSINE KINASE BY 7-SUBSTITUTED 7-(HET)ARYL-7-DEA RIBONUCLEOSIDES J.MED.CHEM. V. 57 8268 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AGS A:402;
Valid;
none;
submit data
523.247 C10 H16 N5 O12 P3 S c1nc(...
NA A:401;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PVV 2.5 Å EC: 2.7.1.20 MICOBACTERIAL ADENOSINE KINASE IN COMPLEX WITH INHIBITOR MYCOBACTERIUM TUBERCULOSIS ADENOSINE KINASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURAL BASIS FOR INHIBITION OF MYCOBACTERIAL AN ADENOSINE KINASE BY 7-SUBSTITUTED 7-(HET)ARYL-7-DEA RIBONUCLEOSIDES J.MED.CHEM. V. 57 8268 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4PVV ic50 = 0.33 uM HO4 C13 H14 N4 O4 C#Cc1cn(c2....
2 4O1G - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
3 2PKK - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
4 2PKM - ADN C10 H13 N5 O4 c1nc(c2c(n....
5 2PKN - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4PVV ic50 = 0.33 uM HO4 C13 H14 N4 O4 C#Cc1cn(c2....
2 4O1G - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
3 2PKK - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
4 2PKM - ADN C10 H13 N5 O4 c1nc(c2c(n....
5 2PKN - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PVV ic50 = 0.33 uM HO4 C13 H14 N4 O4 C#Cc1cn(c2....
2 4O1G - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
3 2PKK - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
4 2PKM - ADN C10 H13 N5 O4 c1nc(c2c(n....
5 2PKN - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
6 3B1P - NOS C10 H12 N4 O5 c1nc2c(n1[....
7 3B1Q - NOS C10 H12 N4 O5 c1nc2c(n1[....
8 3B1R - AMP MG n/a n/a
9 3B1N - MZR C9 H13 N3 O6 c1nc(c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AGS; Similar ligands found: 423
No: Ligand ECFP6 Tc MDL keys Tc
1 AGS 1 1
2 SAP 1 1
3 BA3 0.887324 0.92
4 B4P 0.875 0.92
5 AP5 0.875 0.92
6 A2D 0.859155 0.92
7 HEJ 0.84 0.945946
8 ATP 0.84 0.945946
9 AQP 0.828947 0.945946
10 5FA 0.828947 0.945946
11 AN2 0.813333 0.933333
12 ADP 0.8 0.945946
13 AT4 0.789474 0.986486
14 APR 0.782051 0.92
15 AR6 0.782051 0.92
16 M33 0.779221 0.907895
17 AD9 0.772152 0.921053
18 ACP 0.769231 0.921053
19 SRA 0.756757 0.972973
20 A22 0.75 0.933333
21 50T 0.746835 0.907895
22 AMP 0.743243 0.918919
23 A 0.743243 0.918919
24 ADX 0.734177 0.9
25 CA0 0.734177 0.896104
26 ADQ 0.732558 0.896104
27 ANP 0.731707 0.921053
28 ACQ 0.731707 0.921053
29 25L 0.730337 0.933333
30 6YZ 0.72619 0.921053
31 PRX 0.716049 0.848101
32 9X8 0.715909 0.947368
33 OAD 0.715909 0.896104
34 ATF 0.714286 0.909091
35 ABM 0.714286 0.87013
36 AP2 0.696203 0.909091
37 A12 0.696203 0.909091
38 A1R 0.693182 0.8625
39 A3R 0.693182 0.8625
40 TAT 0.690476 0.986486
41 T99 0.690476 0.986486
42 5AL 0.682353 0.883117
43 25A 0.681818 0.92
44 3OD 0.681319 0.896104
45 APC 0.674699 0.909091
46 AU1 0.670732 0.921053
47 SRP 0.666667 0.860759
48 G3A 0.65625 0.875
49 4AD 0.655556 0.873418
50 G5P 0.649485 0.875
51 AFH 0.649485 0.841463
52 00A 0.648352 0.839506
53 RBY 0.647059 0.884615
54 ADP PO3 0.647059 0.893333
55 ADV 0.647059 0.884615
56 BIS 0.645161 0.886076
57 5SV 0.644444 0.807229
58 8QN 0.644444 0.883117
59 OOB 0.644444 0.883117
60 GTA 0.642857 0.843373
61 PAJ 0.637363 0.841463
62 AMO 0.637363 0.884615
63 ITT 0.630952 0.893333
64 DLL 0.630435 0.883117
65 AHX 0.630435 0.851852
66 ADP VO4 0.629214 0.883117
67 VO4 ADP 0.629214 0.883117
68 NB8 0.62766 0.851852
69 UP5 0.623762 0.873418
70 3UK 0.623656 0.871795
71 SON 0.619048 0.884615
72 ALF ADP 0.617977 0.82716
73 ADP ALF 0.617977 0.82716
74 OMR 0.617647 0.811765
75 PR8 0.617021 0.809524
76 WAQ 0.617021 0.839506
77 B5V 0.617021 0.860759
78 LAD 0.617021 0.819277
79 DAL AMP 0.615385 0.858974
80 MAP 0.615385 0.897436
81 GAP 0.613636 0.848101
82 LMS 0.6125 0.853659
83 7D4 0.611765 0.858974
84 1ZZ 0.610526 0.8
85 FYA 0.610526 0.858974
86 ME8 0.610526 0.821429
87 TXA 0.610526 0.884615
88 PTJ 0.610526 0.851852
89 DQV 0.61 0.907895
90 ATR 0.609195 0.918919
91 PAP 0.609195 0.932432
92 NAI 0.607843 0.8625
93 NAX 0.607843 0.831325
94 6V0 0.607843 0.851852
95 ADP BMA 0.606383 0.871795
96 A4P 0.605769 0.804598
97 A2R 0.604396 0.933333
98 XYA 0.60274 0.8
99 RAB 0.60274 0.8
100 ADN 0.60274 0.8
101 48N 0.598039 0.851852
102 9SN 0.597938 0.829268
103 139 0.59434 0.831325
104 T5A 0.59434 0.802326
105 NXX 0.592233 0.884615
106 DND 0.592233 0.884615
107 TXD 0.592233 0.8625
108 B5M 0.591837 0.85
109 B5Y 0.591837 0.85
110 YAP 0.591837 0.85
111 FA5 0.591837 0.860759
112 9ZD 0.591398 0.8625
113 9ZA 0.591398 0.8625
114 TXE 0.586538 0.8625
115 XAH 0.585859 0.8
116 HFD 0.58427 0.897436
117 GA7 0.584158 0.860759
118 A A 0.583333 0.894737
119 AP0 0.580952 0.851852
120 4UV 0.58 0.85
121 2A5 0.579545 0.871795
122 AOC 0.578313 0.779221
123 COD 0.577982 0.795455
124 A3P 0.576471 0.918919
125 ATP A A A 0.575758 0.881579
126 CNA 0.574074 0.884615
127 LAQ 0.572816 0.865854
128 5AS 0.569767 0.804598
129 4UU 0.568627 0.85
130 YLP 0.567308 0.781609
131 4TC 0.566038 0.851852
132 UPA 0.566038 0.8625
133 YLB 0.566038 0.781609
134 5N5 0.565789 0.776316
135 ADJ 0.564815 0.811765
136 7D3 0.564706 0.858974
137 3AM 0.560976 0.88
138 5CD 0.558442 0.763158
139 A4D 0.558442 0.8
140 A2P 0.55814 0.905405
141 NA7 0.556701 0.909091
142 F2R 0.554545 0.823529
143 PPS 0.554348 0.9
144 G5A 0.549451 0.804598
145 GSP 0.547368 0.924051
146 4UW 0.54717 0.819277
147 JB6 0.545455 0.910256
148 3AT 0.543478 0.92
149 TYM 0.542056 0.860759
150 MYR AMP 0.54 0.77907
151 80F 0.539823 0.845238
152 AR6 AR6 0.538462 0.87013
153 EP4 0.5375 0.716049
154 YLC 0.537037 0.8
155 7D5 0.536585 0.833333
156 NAD 0.535714 0.883117
157 TYR AMP 0.533981 0.82716
158 DTA 0.530864 0.792208
159 M2T 0.530864 0.719512
160 3DH 0.53012 0.75641
161 2AM 0.53012 0.893333
162 AHZ 0.528302 0.821429
163 IOT 0.527273 0.793103
164 DTP 0.526882 0.858974
165 SSA 0.526316 0.825581
166 A3D 0.526316 0.871795
167 MTA 0.52439 0.75641
168 ARG AMP 0.52381 0.790698
169 YLA 0.522523 0.781609
170 BTX 0.522124 0.845238
171 6AD 0.521277 0.911392
172 AMP DBH 0.519231 0.848101
173 TAD 0.518868 0.8875
174 AYB 0.517857 0.772727
175 BT5 0.517544 0.835294
176 A5A 0.515789 0.833333
177 TSB 0.515464 0.845238
178 OVE 0.511628 0.933333
179 6RE 0.511628 0.722892
180 7DT 0.51087 0.932432
181 V3L 0.510638 0.92
182 AVV 0.510204 0.851852
183 7MD 0.509434 0.821429
184 LPA AMP 0.509259 0.843373
185 0WD 0.508772 0.875
186 NAE 0.508475 0.85
187 52H 0.505155 0.804598
188 VMS 0.505155 0.813953
189 54H 0.505155 0.813953
190 NSS 0.50505 0.825581
191 NAQ 0.504202 0.829268
192 EAD 0.504132 0.831325
193 FB0 0.504 0.769231
194 A3N 0.5 0.746835
195 ZID 0.5 0.871795
196 IMO 0.5 0.88
197 AF3 ADP 3PG 0.5 0.797619
198 M24 0.5 0.809524
199 NVA LMS 0.5 0.777778
200 NJP 0.5 0.897436
201 AV2 0.5 0.87013
202 53H 0.5 0.804598
203 J7C 0.5 0.731707
204 ARU 0.5 0.819277
205 ZAS 0.5 0.728395
206 8X1 0.5 0.777778
207 5CA 0.5 0.825581
208 RGT 0.5 0.909091
209 NPW 0.495575 0.843373
210 NDP 0.495575 0.875
211 LEU LMS 0.49505 0.777778
212 DDS 0.494737 0.833333
213 S4M 0.494382 0.655556
214 6FA 0.492188 0.802326
215 DZD 0.491379 0.841463
216 NZQ 0.491228 0.864198
217 P5A 0.490196 0.769231
218 DSZ 0.49 0.825581
219 LSS 0.49 0.786517
220 MAO 0.488889 0.724138
221 DSH 0.488636 0.710843
222 P1H 0.488 0.811765
223 N0B 0.487603 0.781609
224 YLY 0.487395 0.772727
225 ODP 0.486957 0.864198
226 8PZ 0.485714 0.825581
227 9K8 0.485437 0.758242
228 SFD 0.484615 0.776596
229 FAS 0.484615 0.811765
230 FAD 0.484615 0.811765
231 FDA 0.484375 0.795455
232 DAT 0.483871 0.858974
233 5X8 0.483871 0.746835
234 NAJ PZO 0.483051 0.807229
235 G A A A 0.482759 0.829268
236 7MC 0.482143 0.802326
237 62F 0.481203 0.821429
238 PO4 PO4 A A A A PO4 0.480392 0.855263
239 7DD 0.478261 0.932432
240 TXP 0.478261 0.875
241 GJV 0.477778 0.714286
242 NDE 0.47619 0.884615
243 GSU 0.475728 0.804598
244 KAA 0.475728 0.777778
245 5AD 0.474359 0.706667
246 A3G 0.47191 0.759494
247 U A 0.470588 0.8625
248 4TA 0.470085 0.770115
249 XNP 0.470085 0.831325
250 AMP NAD 0.470085 0.858974
251 A G 0.470085 0.839506
252 GP3 0.46875 0.875
253 NDC 0.46875 0.829268
254 6C6 0.46875 0.8375
255 7D7 0.468354 0.705128
256 SFG 0.468085 0.7125
257 YSA 0.46729 0.804598
258 NAJ PYZ 0.467213 0.770115
259 FAY 0.466667 0.821429
260 ETB 0.466667 0.795455
261 DCA 0.466667 0.786517
262 U A G G 0.466102 0.839506
263 A A A 0.466019 0.858974
264 128 0.464286 0.741573
265 RFL 0.463235 0.784091
266 PUA 0.46281 0.841463
267 A7D 0.462366 0.759494
268 FNK 0.459259 0.769231
269 0T1 0.459016 0.786517
270 COA 0.459016 0.806818
271 7C5 0.458716 0.777778
272 A5D 0.458333 0.792208
273 SA8 0.458333 0.674419
274 MHZ 0.457447 0.666667
275 71V 0.456522 0.910256
276 8Q2 0.45614 0.797753
277 NEC 0.455556 0.708861
278 GGZ 0.455446 0.851852
279 SAH 0.453608 0.728395
280 SAI 0.453608 0.698795
281 Y3J 0.451219 0.688312
282 GEK 0.45098 0.722892
283 AS 0.450549 0.884615
284 4YB 0.45045 0.786517
285 GTP 0.45 0.873418
286 SMM 0.45 0.674157
287 6IA 0.44898 0.797619
288 SAM 0.44898 0.678161
289 CAO 0.448 0.8
290 30N 0.448 0.776596
291 COS 0.448 0.808989
292 TAP 0.448 0.935065
293 AMX 0.448 0.795455
294 EEM 0.444444 0.659091
295 CMX 0.444444 0.786517
296 SCO 0.444444 0.786517
297 AAT 0.444444 0.714286
298 P5F 0.443662 0.786517
299 PGS 0.442105 0.910256
300 FCX 0.440945 0.76087
301 ACO 0.440945 0.8
302 FAM 0.440945 0.769231
303 HDV 0.44 0.848101
304 2SA 0.44 0.884615
305 NAP 0.44 0.896104
306 9JJ 0.439716 0.821429
307 APU 0.439655 0.85
308 A U 0.439655 0.82716
309 DA 0.43956 0.833333
310 D5M 0.43956 0.833333
311 HAX 0.4375 0.769231
312 Z5A 0.436508 0.744444
313 DG1 0.436508 0.875
314 1DG 0.436508 0.875
315 V1N 0.436364 0.87013
316 S7M 0.435644 0.678161
317 2MC 0.435115 0.774194
318 649 0.434783 0.769231
319 AAM 0.434783 0.918919
320 WSA 0.434783 0.813953
321 FYN 0.434109 0.806818
322 3KK 0.434109 0.808989
323 NMN AMP PO4 0.433333 0.82716
324 7L1 0.433071 0.8
325 NA0 0.433071 0.884615
326 C2R 0.431818 0.857143
327 AMZ 0.431818 0.868421
328 A3S 0.431579 0.769231
329 MCD 0.430769 0.769231
330 SOP 0.430769 0.788889
331 CA6 0.430769 0.752577
332 COK 0.430769 0.808989
333 OXK 0.430769 0.808989
334 GNH 0.43 0.8625
335 N6P 0.428571 0.866667
336 62X 0.428571 0.637363
337 NVA 2AD 0.428571 0.722892
338 101 0.428571 0.833333
339 F2N 0.427586 0.777778
340 CO6 0.427481 0.808989
341 1VU 0.427481 0.8
342 CMC 0.427481 0.788889
343 NMX 0.427481 0.729167
344 GKE 0.427273 0.841463
345 GDD 0.427273 0.841463
346 GDC 0.427273 0.841463
347 SCA 0.425373 0.808989
348 FA9 0.424658 0.823529
349 K15 0.424528 0.651685
350 A6D 0.424528 0.729412
351 CAJ 0.424242 0.769231
352 SCD 0.424242 0.786517
353 AIR 0.423529 0.853333
354 6K6 0.423077 0.881579
355 A3T 0.42268 0.779221
356 NIA 0.422222 0.783133
357 NHD 0.421488 0.858974
358 MLC 0.421053 0.808989
359 1HE 0.421053 0.791209
360 BCO 0.421053 0.808989
361 IVC 0.421053 0.818182
362 12D 0.421053 0.75
363 3HC 0.421053 0.818182
364 A1S 0.421053 0.788889
365 1CZ 0.42029 0.820225
366 GDP 0.42 0.873418
367 0UM 0.419048 0.666667
368 YE1 0.41791 0.777778
369 COO 0.41791 0.808989
370 MCA 0.41791 0.8
371 CAA 0.41791 0.818182
372 GCP 0.417476 0.851852
373 G1R 0.417476 0.8625
374 SXZ 0.416667 0.697674
375 2CP 0.414815 0.78022
376 MC4 0.414815 0.765957
377 ZDA 0.414141 0.820513
378 KB1 0.412844 0.666667
379 2KQ 0.411765 0.791209
380 BYC 0.411765 0.808989
381 IRC 0.411765 0.818182
382 MGP 0.411765 0.841463
383 CA8 0.411765 0.770833
384 HGG 0.411765 0.808989
385 1GZ 0.411765 0.8
386 3CP 0.411765 0.788889
387 3AD 0.411765 0.763158
388 COW 0.411765 0.8
389 COF 0.411765 0.771739
390 A C A C 0.41129 0.807229
391 N01 0.41129 0.858974
392 S8M 0.409524 0.743902
393 FAQ 0.408759 0.808989
394 BCA 0.408759 0.8
395 4CA 0.408759 0.78022
396 7RP 0.408602 0.878378
397 2VA 0.408163 0.759494
398 6G0 0.407767 0.841463
399 CO7 0.407407 0.808989
400 26A 0.406977 0.725
401 QQX 0.406593 0.857143
402 HXC 0.405797 0.791209
403 GRA 0.405797 0.808989
404 FAI 0.404255 0.868421
405 7RA 0.404255 0.906667
406 GPG 0.40367 0.864198
407 TGC 0.402878 0.8
408 ACK 0.402174 0.815789
409 RP1 0.402174 0.894737
410 QQY 0.402174 0.844156
411 SP1 0.402174 0.894737
412 S0N 0.4 0.769231
413 CIC 0.4 0.788889
414 EO7 0.4 0.813953
415 CO8 0.4 0.791209
416 U A C C 0.4 0.817073
417 SLU 0.4 0.816092
418 APC G U 0.4 0.795181
419 8BR 0.4 0.860759
420 GNP 0.4 0.851852
421 TM1 0.4 0.738636
422 9GM 0.4 0.851852
423 2NE 0.4 0.791209
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PVV; Ligand: HO4; Similar sites found with APoc: 170
This union binding pocket(no: 1) in the query (biounit: 4pvv.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 2ALG DAO None
2 4X9D U5P None
3 1HBK MYR None
4 6BOC EU7 None
5 1LNX URI None
6 6BOC RIM None
7 3KPE TM3 None
8 3ZZQ TRP None
9 4OAS 2SW None
10 5O0J GLC 1.54321
11 5O0J 8BR 1.54321
12 1EI6 PPF 1.54321
13 2R42 FPS 1.54321
14 5Z21 OXM 1.85185
15 2HHP FLC 1.85185
16 2RIO ADP 1.85185
17 6DXS HJ7 1.85185
18 4H3P ANP 1.85185
19 1K0E TRP 1.85185
20 1H5R THM 2.04778
21 3DRW AMP 2.16049
22 6BMS POV 2.16049
23 4QDI ATP 2.16049
24 4U0S ADP 2.16049
25 2HK9 SKM 2.18182
26 4LSJ LSJ 2.32558
27 2DPY ADP 2.46914
28 5OD2 GLC 2.77778
29 5OD2 5ID 2.77778
30 1Q19 SSC 2.77778
31 1ONX ASP 2.77778
32 6BR8 6OU 2.77778
33 1YQT ADP 2.77778
34 4XJ6 GH3 2.77778
35 2IYF UDP 2.77778
36 3ZL8 ADP 2.77778
37 1WD4 AHR 2.77778
38 4E3Q PMP 2.77778
39 1YBQ BDH 2.77778
40 2NUN ADP 2.78638
41 5YSQ INS 2.7972
42 4U00 ADP 2.86885
43 5GVR LMR 2.99145
44 1LVW TYD 3.05085
45 1B0U ATP 3.05344
46 3GTD MLI 3.08642
47 1VBH PEP 3.08642
48 1XMV ADP 3.08642
49 3GQI ACP 3.09735
50 3QPB R1P 3.19149
51 4GLW NMN 3.27869
52 4RW3 SHV 3.31126
53 1TIQ COA 3.33333
54 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.34728
55 2JGV ADP 3.39506
56 1KC7 PPR 3.39506
57 5ZXD ATP 3.39506
58 4O6M C5P 3.39506
59 3LXN MI1 3.39506
60 3B6C SDN 3.4188
61 6CI9 F3V 3.4749
62 1V6A TRE 3.61446
63 4C5N ACP 3.62319
64 4C5N PXL 3.62319
65 3SE5 ANP 3.65854
66 2WPW ACO 3.7037
67 5MVR ADP 3.7037
68 4C1W SLT 3.7234
69 1Y63 ADP 3.80435
70 3ZS7 ATP 4
71 1SBR VIB 4
72 5W6Y TRP 4.11392
73 2DT9 THR 4.19162
74 2UW1 GVM 4.32099
75 4URX FK1 4.32432
76 4XF6 LIP 4.3956
77 4XF6 INS 4.3956
78 4XF6 ADP 4.3956
79 2V5K OXM 4.52962
80 6CGN DA 4.62963
81 4UX9 ANP 4.62963
82 5O5Y GLC 4.93827
83 4IA6 EIC 4.93827
84 1HPG BOC ALA ALA PRO GLU 4.93827
85 1S8G DAO 4.95868
86 2CIX CEJ 5.01672
87 3PMA SCR 5.01931
88 3HP9 CF1 5.24691
89 2OS2 OGA 5.24691
90 1V8K ANP 5.24691
91 3V2U ATP 5.24691
92 4K7O EKZ 5.35714
93 4MGA 27L 5.4902
94 4GO7 THR 5.5
95 5ZBL AMP 5.55556
96 5I34 GDP 5.55556
97 2BHW XAT 5.60345
98 5UGW GSH 5.71429
99 2Z9I GLY ALA THR VAL 5.8642
100 2QV7 ADP 5.8642
101 2W41 ADP 5.8642
102 2IS6 ADP 6.17284
103 1XZ3 ICF 6.32184
104 4YJ1 ADP 6.48148
105 5LX9 OLB 6.51466
106 5LX9 OLA 6.51466
107 2VAR AMP 6.70927
108 2VAR ANP 6.70927
109 2VAR KDG 6.70927
110 2VAR KDF 6.70927
111 6H5E ANP 6.77291
112 3QO8 SSA 6.79012
113 1GPM AMP 6.79012
114 4DZ1 DAL 6.94981
115 1G6H ADP 7.00389
116 4L9I 8PR 7.09877
117 2EB5 OXL 7.11611
118 5BU2 ADP 7.71605
119 3I6B KDO 7.77778
120 1XPJ TLA 7.93651
121 5N69 ADP 8.0402
122 5URY PAM 8.21918
123 3CQD ATP 8.41424
124 3O01 DXC 8.44156
125 3NC9 TR3 8.6262
126 1OXV ANP 8.64198
127 5UPK ANP 8.64865
128 2HW1 FRU 8.72483
129 2HW1 ANP 8.72483
130 1UA4 BGC 8.95062
131 1UA4 GLC 8.95062
132 1UA4 AMP 8.95062
133 4HE2 AMP 8.95062
134 2VWT PYR 8.98876
135 1TV5 N8E 9.25926
136 5W7B MYR 9.25926
137 1RKD ADP 9.70874
138 1RKD RIB 9.70874
139 5KDS A2G THR ALA PRO GLY GLY NAG SIA 9.87654
140 5C1M OLC 10.1351
141 1YRE COA 10.1523
142 3AQT RCO 10.2041
143 2J5V PCA 10.4938
144 2CBZ ATP 10.5485
145 4JWK CTN 10.8808
146 3AB4 THR 11.236
147 2DTJ THR 11.236
148 2AWN ADP 11.2861
149 4CVN ADP 12.0419
150 1KK8 BEF ADP 12.9496
151 5LWY OLB 13.0841
152 4EN4 GT0 13.4615
153 4EN4 ATP 13.4615
154 4EN4 GT1 13.4615
155 2BHZ MAL 13.8889
156 5HWV MBN 15.3846
157 3GCM 5GP 17.0732
158 2XEM SSV 18.6667
159 1VBO MAN MAN MAN 19.4631
160 1U4J MAN 19.4915
161 3ZC7 ATP 20.6349
162 2JG1 ANP 25
163 2JG1 TA6 25
164 1T0S BML 29.0698
165 1V1A ADP 36.8932
166 1V1A KDG 36.8932
167 4XDA RIB 39.1586
168 4XDA ADP 39.1586
169 2C49 ANP 41.7219
170 2C49 ADN 41.7219
Pocket No.: 2; Query (leader) PDB : 4PVV; Ligand: HO4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4pvv.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
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