Receptor
PDB id Resolution Class Description Source Keywords
4NU0 1.49 Å EC: 2.7.4.3 CRYSTAL STRUCTURE OF ADENYLATE KINASE FROM STREPTOCOCCUS PNE WITH AP5A STREPTOCOCCUS PNEUMONIAE ADENYLATE KINASE CAPSULAR POLYSACCHARIDE GROWTH CORE NMPDOMAIN AMP/ATP BINDING PHOSPHOTRANSFERASE TRANSFERASE
Ref.: ADENYLATE KINASE FROM STREPTOCOCCUS PNEUMONIAE IS E FOR GROWTH THROUGH ITS CATALYTIC ACTIVITY FEBS OPEN BIO V. 4 672 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:301;
A:301;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
AP5 B:302;
A:302;
Valid;
Valid;
none;
none;
submit data
916.367 C20 H29 N10 O22 P5 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NU0 1.49 Å EC: 2.7.4.3 CRYSTAL STRUCTURE OF ADENYLATE KINASE FROM STREPTOCOCCUS PNE WITH AP5A STREPTOCOCCUS PNEUMONIAE ADENYLATE KINASE CAPSULAR POLYSACCHARIDE GROWTH CORE NMPDOMAIN AMP/ATP BINDING PHOSPHOTRANSFERASE TRANSFERASE
Ref.: ADENYLATE KINASE FROM STREPTOCOCCUS PNEUMONIAE IS E FOR GROWTH THROUGH ITS CATALYTIC ACTIVITY FEBS OPEN BIO V. 4 672 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 4W5J - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
2 4NU0 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1P3J - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
2 2EU8 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
3 4MKF - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
4 5G40 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 5G3Z - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
6 5G41 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
7 1S3G - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
8 3FB4 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
9 4MKG - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
10 4MKH - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
11 5G3Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 1ZIP - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
13 1ZIO - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
14 1ZIN - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
15 4W5J - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
16 4NU0 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
50% Homology Family (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1AKY - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
2 1DVR - ATF C11 H16 F2 N5 O12 P3 c1nc(c2c(n....
3 3AKY - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
4 2AKY - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
5 1P3J - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
6 2EU8 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
7 4MKF - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
8 1E4Y - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
9 3HPR - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
10 1E4V - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
11 4X8L - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
12 1AKE - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
13 3HPQ - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
14 1ANK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
15 4X8O Kd = 60 nM AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
16 5G40 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 5G3Z - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
18 5G41 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
19 2RGX - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
20 4UKD - UDP ADP BF2 n/a n/a
21 1QF9 - ALF Al F4 F[Al-](F)(....
22 2UKD - C5P C9 H14 N3 O8 P C1=CN(C(=O....
23 1S3G - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
24 3FB4 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
25 4MKG - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
26 4MKH - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
27 5G3Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 1UKY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1UKZ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
30 2BWJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
31 1ZIP - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
32 1ZIO - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
33 1ZIN - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
34 1Z83 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
35 4W5J - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
36 4NU0 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
37 2CDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
38 2AK3 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AP5; Similar ligands found: 405
No: Ligand ECFP6 Tc MDL keys Tc
1 AP5 1 1
2 B4P 1 1
3 BA3 0.984615 1
4 5FA 0.942029 0.971831
5 AQP 0.942029 0.971831
6 ATP 0.927536 0.971831
7 A2D 0.924242 1
8 ADP 0.884058 0.971831
9 AGS 0.875 0.92
10 SAP 0.875 0.92
11 AN2 0.84507 0.958333
12 APR 0.835616 0.971831
13 AR6 0.835616 0.971831
14 M33 0.833333 0.958333
15 AD9 0.824324 0.945205
16 ACP 0.821918 0.945205
17 ANP 0.802632 0.945205
18 ACQ 0.802632 0.945205
19 AMP 0.797101 0.943662
20 A 0.797101 0.943662
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 50T 0.773333 0.931507
24 ABM 0.763889 0.917808
25 PRX 0.763158 0.893333
26 ATF 0.759494 0.932432
27 TAT 0.75641 0.932432
28 A22 0.753086 0.985915
29 25L 0.752941 0.985915
30 AMP MG 0.75 0.891892
31 AP2 0.743243 0.932432
32 A12 0.743243 0.932432
33 APC 0.74026 0.932432
34 SRA 0.736111 0.893333
35 ADQ 0.73494 0.972222
36 A1R 0.73494 0.907895
37 5AL 0.725 0.931507
38 G5P 0.722222 0.921053
39 OAD 0.717647 0.945205
40 ADP MG 0.714286 0.905405
41 AU1 0.714286 0.945205
42 G3A 0.711111 0.921053
43 SRP 0.707317 0.906667
44 BEF ADP 0.705128 0.881579
45 ADP BEF 0.705128 0.881579
46 8QN 0.702381 0.931507
47 3OD 0.701149 0.945205
48 GTA 0.695652 0.886076
49 4AD 0.694118 0.92
50 UP5 0.691489 0.945946
51 ADP PO3 0.6875 0.943662
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.907895
55 5SV 0.682353 0.848101
56 OOB 0.682353 0.958333
57 25A 0.682353 0.971831
58 BIS 0.681818 0.907895
59 ATP MG 0.679012 0.905405
60 AMO 0.674419 0.932432
61 PAJ 0.674419 0.884615
62 ITT 0.670886 0.916667
63 7D4 0.670886 0.88
64 MAP 0.670588 0.92
65 A4P 0.670103 0.843373
66 DLL 0.666667 0.958333
67 AHX 0.666667 0.896104
68 3UK 0.659091 0.945205
69 SON 0.658228 0.906667
70 T5A 0.656566 0.864198
71 ALF ADP 0.654762 0.87013
72 ADP ALF 0.654762 0.87013
73 WAQ 0.651685 0.883117
74 PR8 0.651685 0.85
75 LAD 0.651685 0.860759
76 GAP 0.650602 0.893333
77 AFH 0.648936 0.909091
78 VO4 ADP 0.647059 0.931507
79 ANP MG 0.647059 0.894737
80 ADP VO4 0.647059 0.931507
81 NB8 0.644444 0.896104
82 1ZZ 0.644444 0.839506
83 FYA 0.644444 0.931507
84 PTJ 0.644444 0.871795
85 ME8 0.644444 0.839506
86 TXA 0.644444 0.932432
87 2A5 0.634146 0.893333
88 9SN 0.630435 0.896104
89 48N 0.628866 0.896104
90 ATR 0.626506 0.943662
91 PAP 0.626506 0.957747
92 FA5 0.623656 0.932432
93 YAP 0.623656 0.92
94 RAB 0.623188 0.84507
95 XYA 0.623188 0.84507
96 ADN 0.623188 0.84507
97 TXD 0.622449 0.933333
98 NAX 0.622449 0.897436
99 DND 0.622449 0.958904
100 6V0 0.622449 0.921053
101 NXX 0.622449 0.958904
102 NAI 0.622449 0.933333
103 7D3 0.620253 0.88
104 XAH 0.617021 0.839506
105 OMR 0.616162 0.851852
106 TXE 0.616162 0.933333
107 AOC 0.615385 0.821918
108 DAL AMP 0.613636 0.905405
109 4UV 0.610526 0.92
110 AP0 0.61 0.921053
111 5N5 0.605634 0.819444
112 5AS 0.604938 0.77907
113 ADP BMA 0.604396 0.945205
114 A2R 0.602273 0.958333
115 CNA 0.601942 0.958904
116 4UU 0.597938 0.92
117 A4D 0.597222 0.819444
118 5CD 0.597222 0.805556
119 4TC 0.594059 0.921053
120 3AT 0.593023 0.944444
121 139 0.592233 0.897436
122 ADJ 0.592233 0.875
123 LAQ 0.585859 0.839506
124 A A 0.580645 0.944444
125 YLP 0.58 0.819277
126 COD 0.575472 0.811765
127 DTP 0.574713 0.88
128 JB6 0.574468 0.907895
129 4UW 0.574257 0.884615
130 EP4 0.573333 0.753247
131 A3P 0.573171 0.943662
132 ATP A A A 0.572917 0.957747
133 7D5 0.571429 0.853333
134 TYM 0.568627 0.932432
135 MYR AMP 0.568421 0.817073
136 6AD 0.568182 0.884615
137 M2T 0.565789 0.734177
138 DTA 0.565789 0.810811
139 3DH 0.564103 0.773333
140 G5A 0.563218 0.77907
141 UPA 0.563107 0.933333
142 YLB 0.563107 0.819277
143 YLC 0.563107 0.839506
144 NAD 0.560748 0.958333
145 TSB 0.56044 0.819277
146 MTA 0.558442 0.773333
147 3AM 0.556962 0.902778
148 SSA 0.555556 0.8
149 AHZ 0.554455 0.817073
150 A2P 0.554217 0.929577
151 NA7 0.553191 0.932432
152 IOT 0.552381 0.809524
153 TYR AMP 0.55102 0.906667
154 PPS 0.550562 0.85
155 A3D 0.550459 0.945205
156 7MD 0.55 0.8625
157 AR6 AR6 0.55 0.944444
158 VMS 0.549451 0.788235
159 54H 0.549451 0.788235
160 YLA 0.54717 0.819277
161 AMP DBH 0.545455 0.918919
162 TAD 0.544554 0.884615
163 A5A 0.544444 0.807229
164 AV2 0.544444 0.891892
165 6RE 0.54321 0.7375
166 AYB 0.542056 0.809524
167 7DT 0.54023 0.957747
168 DDS 0.539326 0.853333
169 AVV 0.537634 0.896104
170 52H 0.532609 0.77907
171 BTX 0.53211 0.819277
172 NSS 0.531915 0.8
173 NAE 0.530973 0.92
174 ZAS 0.530864 0.766234
175 A3N 0.53012 0.786667
176 J7C 0.53012 0.746835
177 IMO 0.53012 0.902778
178 DAT 0.528736 0.88
179 BT5 0.527273 0.809524
180 5CA 0.526882 0.8
181 53H 0.526882 0.77907
182 NAQ 0.526316 0.896104
183 ARU 0.526316 0.8375
184 EAD 0.525862 0.897436
185 RGT 0.525253 0.932432
186 2AM 0.525 0.916667
187 ARG AMP 0.524272 0.807229
188 LA8 ALF 3PG 0.52381 0.8375
189 AF3 ADP 3PG 0.52381 0.8375
190 ALF ADP 3PG 0.52381 0.8375
191 S4M 0.52381 0.666667
192 V3L 0.522222 0.944444
193 ZID 0.521739 0.945205
194 LPA AMP 0.519231 0.817073
195 7MC 0.518868 0.841463
196 DSH 0.518072 0.725
197 MAO 0.517647 0.759036
198 DSZ 0.515789 0.8
199 LSS 0.515789 0.761364
200 P5A 0.515464 0.744444
201 DZD 0.513514 0.909091
202 FB0 0.512397 0.784091
203 5X8 0.511364 0.763158
204 GP3 0.511111 0.921053
205 NVA LMS 0.510417 0.761364
206 YLY 0.508772 0.809524
207 M24 0.508772 0.873418
208 N0B 0.508621 0.841463
209 P1H 0.508333 0.875
210 5AD 0.506849 0.746479
211 OVE 0.506024 0.88
212 GJV 0.505882 0.728395
213 7DD 0.505747 0.957747
214 LEU LMS 0.505155 0.761364
215 NAJ PZO 0.504425 0.871795
216 GSU 0.5 0.77907
217 KAA 0.5 0.752809
218 128 0.5 0.776471
219 NEC 0.5 0.746667
220 NDE 0.495868 0.932432
221 NJP 0.495495 0.945946
222 NAD IBO 0.495495 0.894737
223 6C6 0.494505 0.857143
224 SFG 0.494382 0.75
225 FDA 0.491935 0.833333
226 0WD 0.491071 0.921053
227 4TA 0.491071 0.829268
228 YSA 0.490196 0.8
229 GTP 0.489362 0.894737
230 A7D 0.488636 0.776316
231 6FA 0.488 0.864198
232 NDC 0.487805 0.896104
233 A5D 0.483516 0.810811
234 SA8 0.483516 0.707317
235 MHZ 0.483146 0.697674
236 71V 0.482759 0.883117
237 A3G 0.482353 0.8
238 ODP 0.482143 0.909091
239 Y3J 0.480519 0.726027
240 SFD 0.480315 0.752688
241 FAS 0.480315 0.875
242 FAD 0.480315 0.875
243 7D7 0.48 0.743243
244 GGZ 0.479167 0.825
245 SAI 0.478261 0.734177
246 SAH 0.478261 0.74359
247 G A A A 0.477876 0.871795
248 NDP 0.477477 0.921053
249 NPW 0.477477 0.886076
250 PO4 PO4 A A A A PO4 0.474747 0.929577
251 NAJ PYZ 0.474576 0.873418
252 SMM 0.473684 0.686047
253 TXP 0.473214 0.921053
254 NZQ 0.473214 0.909091
255 6IA 0.473118 0.814815
256 SAM 0.473118 0.690476
257 AAT 0.468085 0.707317
258 EEM 0.468085 0.690476
259 7C5 0.466667 0.818182
260 PGS 0.466667 0.858974
261 FNK 0.465649 0.804598
262 62F 0.465649 0.886076
263 D5M 0.465116 0.853333
264 DA 0.465116 0.853333
265 N6P 0.464646 0.915493
266 GSP 0.463918 0.85
267 2SA 0.463158 0.906667
268 FAY 0.462121 0.886076
269 A3T 0.461538 0.821918
270 U A G G 0.46087 0.883117
271 A A A 0.46 0.905405
272 AAM 0.45977 0.943662
273 GEK 0.459184 0.7375
274 RFL 0.458647 0.843373
275 6G0 0.458333 0.860759
276 S7M 0.458333 0.690476
277 AMP NAD 0.458333 0.906667
278 4YB 0.457944 0.781609
279 AMZ 0.457831 0.890411
280 C2R 0.457831 0.878378
281 GDP 0.457447 0.894737
282 A3S 0.455556 0.810811
283 WSA 0.454545 0.809524
284 Z5A 0.454545 0.8
285 12D 0.453704 0.785714
286 XNP 0.452174 0.873418
287 AIR 0.45 0.875
288 62X 0.45 0.666667
289 ETB 0.449153 0.811765
290 DCA 0.449153 0.802326
291 MGP 0.447917 0.860759
292 NIA 0.447059 0.8
293 K15 0.445545 0.682353
294 A6D 0.445545 0.743902
295 PUA 0.445378 0.884615
296 6K6 0.444444 0.90411
297 V1N 0.443396 0.944444
298 0T1 0.441667 0.802326
299 COA 0.441667 0.802326
300 649 0.441441 0.764045
301 0UM 0.44 0.698795
302 P5F 0.438849 0.823529
303 G1R 0.438776 0.883117
304 GCP 0.438776 0.871795
305 GNH 0.4375 0.883117
306 3AD 0.4375 0.805556
307 101 0.436782 0.853333
308 NAP 0.434426 0.945205
309 GNP 0.434343 0.871795
310 APU 0.433628 0.894737
311 A U 0.433628 0.894737
312 KB1 0.432692 0.719512
313 F2N 0.432624 0.813953
314 7RP 0.431818 0.901408
315 DG1 0.430894 0.921053
316 TAP 0.430894 0.907895
317 AMX 0.430894 0.811765
318 30N 0.430894 0.734043
319 COS 0.430894 0.784091
320 1DG 0.430894 0.921053
321 CAO 0.430894 0.775281
322 2VA 0.430108 0.8
323 S8M 0.43 0.759494
324 GTG 0.429907 0.886076
325 FA9 0.429577 0.864198
326 MGO 0.428571 0.8375
327 SCO 0.427419 0.802326
328 CMX 0.427419 0.802326
329 NA0 0.427419 0.932432
330 NHD 0.42735 0.931507
331 AS 0.426966 0.810127
332 7RA 0.426966 0.930556
333 ACK 0.425287 0.861111
334 QQY 0.425287 0.815789
335 FAM 0.424 0.784091
336 FCX 0.424 0.775281
337 ACO 0.424 0.775281
338 CC5 0.423077 0.816901
339 SXZ 0.423077 0.710843
340 8BR 0.422222 0.881579
341 ZDA 0.421053 0.84
342 IDP 0.421053 0.893333
343 HAX 0.420635 0.784091
344 GDD 0.420561 0.884615
345 GKE 0.420561 0.884615
346 GDC 0.420561 0.884615
347 PLP AAD 0.420168 0.761364
348 J7V 0.419355 0.833333
349 TM1 0.419048 0.77381
350 2MC 0.418605 0.75
351 NAD BBN 0.41791 0.864198
352 CMP 0.417582 0.928571
353 2BA 0.417582 0.942857
354 FYN 0.417323 0.802326
355 3KK 0.417323 0.784091
356 SO8 0.416667 0.789474
357 SLU 0.416667 0.790698
358 NMN AMP PO4 0.415254 0.894737
359 26A 0.414634 0.763158
360 SOP 0.414062 0.784091
361 COK 0.414062 0.784091
362 MCD 0.414062 0.784091
363 OXK 0.414062 0.784091
364 CA6 0.414062 0.71134
365 QQX 0.413793 0.805195
366 G2R 0.413462 0.860759
367 NAD CJ3 0.411765 0.833333
368 FAI 0.411111 0.890411
369 RMB 0.411111 0.847222
370 1VU 0.410853 0.775281
371 CMC 0.410853 0.784091
372 CO6 0.410853 0.784091
373 NMX 0.410853 0.741935
374 ANZ 0.409091 0.8
375 SCA 0.409091 0.784091
376 RP1 0.409091 0.866667
377 SP1 0.409091 0.866667
378 1RB 0.409091 0.859155
379 NFD 0.408333 0.907895
380 SCD 0.407692 0.802326
381 CAJ 0.407692 0.784091
382 NVA 2AD 0.40625 0.74359
383 U G A 0.406015 0.839506
384 D3Y 0.405941 0.813333
385 KH3 0.405405 0.674419
386 N01 0.404959 0.931507
387 A1S 0.40458 0.784091
388 MLC 0.40458 0.784091
389 3HC 0.40458 0.793103
390 IVC 0.40458 0.793103
391 BCO 0.40458 0.784091
392 1HE 0.40458 0.766667
393 5GP 0.404255 0.881579
394 G 0.404255 0.881579
395 G2Q 0.403846 0.860759
396 3L1 0.402439 0.773333
397 3D1 0.402439 0.773333
398 VRT 0.402062 0.769231
399 COO 0.401515 0.784091
400 YE1 0.401515 0.813953
401 MCA 0.401515 0.775281
402 CAA 0.401515 0.793103
403 GMV 0.4 0.871795
404 3NZ 0.4 0.805195
405 CNV FAD 0.4 0.793103
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NU0; Ligand: AP5; Similar sites found: 148
This union binding pocket(no: 1) in the query (biounit: 4nu0.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CBZ ATP 0.000002837 0.6621 None
2 1M7B GTP 0.003501 0.43323 None
3 3GJ0 GDP 0.0002774 0.51426 1.38249
4 5HCN GCP 0.0003609 0.50259 2.30415
5 1TAD ALF 0.004911 0.40622 2.30415
6 2ZTS ADP 0.003536 0.43659 2.76498
7 3TMK T5A 0.000006481 0.46015 2.77778
8 2QG6 NMN 0.0001764 0.41129 3.01508
9 5JCP GDP ALF 0.002372 0.4485 3.22581
10 5K5Z ANP 0.001541 0.43873 3.22581
11 4BFW ZVW 0.001801 0.40594 3.22581
12 3BER AMP 0.03697 0.40456 3.22581
13 3GJ8 GDP 0.0003569 0.50283 3.26087
14 5J1J ANP 0.0004711 0.46458 3.50877
15 4LC1 GDP 0.00007838 0.54249 3.68664
16 5GJC ATP 0.0001187 0.53321 3.68664
17 2HF9 GSP 0.0004017 0.48486 3.68664
18 5GVR LMR 0.00255 0.47285 3.68664
19 5JCZ GDP 0.0009934 0.46208 3.68664
20 2FNA ADP 0.0008845 0.4564 3.68664
21 2WOJ ADP ALF 0.0009623 0.44077 3.68664
22 4R2I ANP 0.02915 0.41778 3.80952
23 1TX4 ALF GDP 0.009049 0.40855 3.9548
24 1JI0 ATP 0.00001409 0.59722 4.14747
25 4D81 ADP 0.0004474 0.48747 4.14747
26 4XGU ADP 0.0008472 0.46959 4.14747
27 3T34 GDP 0.004341 0.4225 4.14747
28 1F5N GNP 0.002995 0.42037 4.14747
29 3SHR CMP 0.04199 0.40166 4.14747
30 2WJG GDP 0.0004607 0.50293 4.25532
31 1M7G ADX 0.0001745 0.41931 4.2654
32 1M7G ADP 0.0002595 0.40626 4.2654
33 4UCC ZKW 0.02779 0.42831 4.29185
34 4YMU ATP 0.00005647 0.55699 4.60829
35 4LYA ATP 0.0002771 0.50836 4.60829
36 1G8S MET 0.01427 0.43238 4.60829
37 5O2T GSP 0.001929 0.42827 4.73373
38 4XTR ADP 0.002353 0.44477 4.78261
39 4XTR ATP 0.002112 0.43616 4.78261
40 4XVU ATP 0.002237 0.43507 4.78261
41 5UFQ GNP 0.001483 0.43616 4.81928
42 4AG5 ADP 0.00003158 0.58401 5.06912
43 4PPF FLC 0.00004228 0.58113 5.06912
44 4YDS ATP 0.0001302 0.54507 5.06912
45 5KSZ GCP 0.001249 0.47061 5.06912
46 4IDN GNP 0.00379 0.4283 5.06912
47 1OS1 PYR 0.0002072 0.41586 5.06912
48 1OS1 ATP 0.0002067 0.41335 5.06912
49 4TTQ ATP 0.000002069 0.4008 5.06912
50 2GJ8 ALF GDP 0.003242 0.41895 5.23256
51 1Z2A GDP 0.004241 0.42294 5.35714
52 4WZ6 ATP 0.00001363 0.60579 5.52995
53 1G7S GDP 0.0006418 0.49002 5.52995
54 5LB3 ADP 0.001109 0.48887 5.52995
55 5N69 ADP 0.0004803 0.48598 5.52995
56 4XSH GSP 0.00196 0.44844 5.52995
57 1TQ4 GDP 0.001635 0.44822 5.52995
58 2WKQ GTP 0.004155 0.42333 5.52995
59 4DKX GDP 0.0005365 0.49953 5.55556
60 4WOP CTP 0.006552 0.42088 5.77778
61 5KSP GDP 0.0009551 0.48134 5.78947
62 5BQ5 ADP BEF 0.0002812 0.50245 5.82011
63 3LXR GDP 0.0005262 0.48907 5.94595
64 5DI3 GNP 0.00128 0.44926 5.94595
65 4ZNL BEF ADP 0.001398 0.47302 5.99078
66 4R43 GDP 0.003456 0.45788 5.99078
67 5VGR GDP 0.002287 0.44925 5.99078
68 2BIF SIN 0.0003384 0.43528 5.99078
69 2BIF ANP 0.0001095 0.4334 5.99078
70 2C04 GCP 0.006867 0.4267 5.99078
71 5H56 TYD 0.0000005936 0.49451 6.15385
72 5H56 ADP 0.0000005936 0.49451 6.15385
73 2YOH WMJ 0.00006201 0.46782 6.19048
74 3SBD GNP 0.004634 0.41533 6.41711
75 2DPY ADP 0.002443 0.47626 6.45161
76 1W7J ADP BEF 0.0009876 0.46645 6.45161
77 1MH1 GNP 0.004828 0.41179 6.45161
78 1CS4 GSP 0.004638 0.40982 6.45161
79 1GXU 2HP 0.002858 0.44542 6.59341
80 3PCR GTP 0.001588 0.44157 6.79012
81 2NCD ADP 0.00008038 0.56235 6.91244
82 3BFV ADP 0.0001156 0.53382 6.91244
83 2ZFI ADP 0.0002846 0.51369 6.91244
84 1E2K TMC 0.0001168 0.44815 6.91244
85 4TMK T5A 0.0009978 0.40304 7.04225
86 5H67 ATP 0.01154 0.42684 7.5
87 3X1Z GNP 0.002889 0.41818 7.78443
88 1GOJ ADP 0.000005545 0.64264 7.8341
89 5KDO GDP 0.001138 0.45535 7.8341
90 4PC3 GDP 0.002355 0.45274 7.8341
91 1GP2 GDP 0.001143 0.44779 7.8341
92 4PJ3 ANP 0.003462 0.44468 7.8341
93 1S9D GDP 0.0001001 0.53059 7.92683
94 3N5C GDP 0.00007796 0.54262 8.02469
95 1ZD9 GDP 0.0008274 0.46575 8.29493
96 5IRR GSP 0.002442 0.43679 8.29493
97 3QBT GNP 0.001039 0.44266 8.62069
98 1GUA GNP 0.001916 0.4284 8.64198
99 1WDT GTP 0.0007328 0.46818 8.75576
100 5DIF GNP 0.001424 0.43372 8.75576
101 5UWQ GNP 0.001454 0.43336 8.75576
102 5UWU GNP 0.001468 0.43318 8.75576
103 5UWW GNP 0.001509 0.43269 8.75576
104 5DHF GNP 0.001557 0.43213 8.75576
105 5UWJ GNP 0.001611 0.43151 8.75576
106 5UWO GNP 0.001706 0.43049 8.75576
107 5UWH GNP 0.001748 0.43004 8.75576
108 5UWS GNP 0.001886 0.42571 8.75576
109 5DI9 GNP 0.001972 0.42493 8.75576
110 4YS0 ADP 0.0124 0.41455 8.75576
111 1HE1 GDP 0.001978 0.44447 8.88889
112 1ZUI SKM 0.0002006 0.43124 8.92857
113 4IEE AGS 0.001182 0.48739 8.97959
114 1J2J GTP 0.0007626 0.45546 9.03614
115 1P72 ADP 0.000339 0.41721 9.21659
116 4YSX E23 0.04954 0.40509 9.21659
117 5E95 GDP 0.0004464 0.4827 9.52381
118 4BQS ADP 0.00005229 0.46401 9.65909
119 4BQS K2Q 0.00005229 0.46401 9.65909
120 1KO8 6PG 0.000002661 0.42623 9.71429
121 5FTB ANP 0.0003886 0.49554 10.1382
122 5FHD ADP ALF 0.0006879 0.46525 10.1382
123 4WEI GLC GAL 0.02571 0.41833 10.1382
124 4PQG NAG 0.03446 0.40616 10.1382
125 1NF3 GNP 0.002875 0.42406 10.1562
126 4ZI2 GNP 0.0007847 0.45871 10.5263
127 5J1S ATP 0.0004878 0.46012 10.5691
128 5L3V GDP 0.000507 0.48986 10.5991
129 5L3S GNP 0.0008114 0.45066 10.5991
130 5L3S G 0.02174 0.42885 10.5991
131 4PX9 ADP 0.004333 0.45764 11.5207
132 1LVG ADP 0.0000002756 0.40405 11.6162
133 3B9Q MLI 0.000446 0.51545 11.9816
134 5L3R GCP 0.0009697 0.44735 11.9816
135 5TAR GDP 0.001403 0.46357 12.1622
136 1UJ2 C5P 0.00006665 0.41707 13.3641
137 1UJ2 ADP 0.0002841 0.40107 13.3641
138 5GOE GDP 0.0004977 0.49026 14.7465
139 4OHY ANP 0.006752 0.41122 14.7465
140 1CM0 COA 0.02462 0.40671 14.881
141 1X6V ADP 0.0001055 0.42126 16.129
142 2OFW ADX 0.0001203 0.44639 16.8269
143 1NN5 ANP 0.0000003451 0.50758 18.1395
144 1NN5 2DT 0.001797 0.42615 18.1395
145 5XDR ADP 0.003683 0.45185 18.4332
146 2PEZ GGZ 0.0001532 0.45628 19.5531
147 2PEZ DAT 0.0001532 0.42502 19.5531
148 5MZN ADP 0.008084 0.44812 23.9631
Pocket No.: 2; Query (leader) PDB : 4NU0; Ligand: AP5; Similar sites found: 8
This union binding pocket(no: 2) in the query (biounit: 4nu0.bio2) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3W54 RNB 0.02002 0.40664 2.30415
2 2VOH CIT 0.005924 0.44128 2.54777
3 3SQP 3J8 0.01814 0.43625 3.22581
4 1YQC GLV 0.01399 0.41752 3.52941
5 4XGX ADP 0.02108 0.40257 3.68664
6 1IK4 PGH 0.04154 0.40041 5.92105
7 1KA1 A3P 0.03596 0.4004 7.8341
8 4S1D 41M 0.02573 0.42269 21.9626
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