Receptor
PDB id Resolution Class Description Source Keywords
3WVR 2.17 Å NON-ENZYME: OTHER STRUCTURE OF ATP GRASP PROTEIN WITH AMP STREPTOMYCES CIRRATUS ATP GRASP DOMAIN LIGASE BIOSYNTHETIC PROTEIN
Ref.: A PEPTIDE LIGASE AND THE RIBOSOME COOPERATE TO SYNT THE PEPTIDE PHEGANOMYCIN. NAT.CHEM.BIOL. V. 11 71 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:503;
D:505;
C:501;
B:502;
C:505;
D:503;
A:503;
C:504;
C:503;
B:501;
D:501;
D:502;
C:502;
D:504;
A:501;
C:506;
A:502;
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;
submit data
96.063 O4 S [O-]S...
AMP D:506;
B:504;
C:507;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
GOL D:507;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WVR 2.17 Å NON-ENZYME: OTHER STRUCTURE OF ATP GRASP PROTEIN WITH AMP STREPTOMYCES CIRRATUS ATP GRASP DOMAIN LIGASE BIOSYNTHETIC PROTEIN
Ref.: A PEPTIDE LIGASE AND THE RIBOSOME COOPERATE TO SYNT THE PEPTIDE PHEGANOMYCIN. NAT.CHEM.BIOL. V. 11 71 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3WVR - AMP C10 H14 N5 O7 P 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 1068 families.
1 3WVR - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3WVR - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 AMP MG 0.818182 0.916667
7 A12 0.808824 0.931507
8 AP2 0.808824 0.931507
9 BA3 0.808824 0.943662
10 SRA 0.80303 0.944444
11 AP5 0.797101 0.943662
12 B4P 0.797101 0.943662
13 ATP 0.788732 0.971429
14 AN2 0.785714 0.957747
15 APC 0.777778 0.931507
16 AQP 0.777778 0.971429
17 5FA 0.777778 0.971429
18 ADX 0.774648 0.848101
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ACP 0.763889 0.944444
23 50T 0.763889 0.957747
24 25A 0.75641 0.971429
25 AR6 0.753425 0.943662
26 APR 0.753425 0.943662
27 PRX 0.753425 0.917808
28 ADP MG 0.75 0.90411
29 TAT 0.746667 0.931507
30 ACQ 0.746667 0.944444
31 RBY 0.743243 0.905405
32 SAP 0.743243 0.918919
33 AGS 0.743243 0.918919
34 ADV 0.743243 0.905405
35 AD9 0.743243 0.944444
36 BEF ADP 0.739726 0.88
37 ADP BEF 0.739726 0.88
38 ANP 0.723684 0.944444
39 ADP PO3 0.72 0.942857
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 ATP MG 0.710526 0.90411
43 ADN 0.709677 0.842857
44 XYA 0.709677 0.842857
45 RAB 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ALF ADP 0.683544 0.868421
54 ADP ALF 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ANP MG 0.675 0.893333
58 ADP VO4 0.675 0.930556
59 VO4 ADP 0.675 0.930556
60 5SV 0.670732 0.87013
61 OOB 0.670732 0.930556
62 8QN 0.670732 0.930556
63 PTJ 0.670588 0.894737
64 AOC 0.666667 0.84507
65 4AD 0.662651 0.893333
66 A1R 0.662651 0.881579
67 AMO 0.662651 0.905405
68 PAJ 0.662651 0.858974
69 5N5 0.661538 0.816901
70 DAL AMP 0.658537 0.90411
71 IMO 0.657534 0.928571
72 DLL 0.654762 0.930556
73 AHX 0.654762 0.87013
74 00A 0.654762 0.881579
75 5AS 0.653333 0.776471
76 5CD 0.651515 0.828571
77 A4D 0.651515 0.816901
78 3UK 0.647059 0.917808
79 ADP BMA 0.647059 0.891892
80 OAD 0.647059 0.917808
81 25L 0.643678 0.957747
82 PR8 0.639535 0.848101
83 WAQ 0.639535 0.881579
84 LAD 0.639535 0.858974
85 DTA 0.637681 0.808219
86 V3L 0.6375 0.971429
87 3DH 0.633803 0.794521
88 BIS 0.632184 0.906667
89 TXA 0.632184 0.905405
90 FYA 0.632184 0.930556
91 ME8 0.632184 0.8375
92 1ZZ 0.632184 0.8375
93 3OD 0.632184 0.917808
94 NB8 0.632184 0.87013
95 MTA 0.628571 0.794521
96 3AM 0.625 0.956522
97 EP4 0.623188 0.773333
98 A A 0.62069 0.971429
99 9SN 0.617977 0.87013
100 M2T 0.614286 0.753247
101 JB6 0.613636 0.881579
102 YAP 0.611111 0.893333
103 FA5 0.611111 0.905405
104 MYR AMP 0.606742 0.814815
105 G5A 0.604938 0.776471
106 XAH 0.604396 0.8375
107 4UV 0.597826 0.893333
108 71V 0.597403 0.906667
109 ATP A A A 0.593407 0.929577
110 PAP 0.592593 0.957143
111 G3A 0.591398 0.894737
112 2AM 0.589041 0.942857
113 5X8 0.5875 0.783784
114 TYR AMP 0.586957 0.88
115 6RE 0.586667 0.779221
116 6C6 0.585366 0.905405
117 4UU 0.585106 0.893333
118 G5P 0.585106 0.894737
119 AFH 0.585106 0.858974
120 7D3 0.584416 0.878378
121 A5A 0.583333 0.804878
122 TSB 0.581395 0.795181
123 AMP DBH 0.580645 0.891892
124 2A5 0.580247 0.891892
125 DSH 0.578947 0.74359
126 TAD 0.578947 0.858974
127 GTA 0.578947 0.860759
128 6IA 0.578313 0.858974
129 SSA 0.576471 0.776471
130 C2R 0.575342 0.876712
131 AMZ 0.575342 0.888889
132 7D4 0.575 0.878378
133 PGS 0.575 0.857143
134 ZAS 0.573333 0.786667
135 ATR 0.573171 0.942857
136 LAQ 0.572917 0.8375
137 PPS 0.571429 0.848101
138 AAM 0.571429 1
139 AIR 0.571429 0.927536
140 J7C 0.571429 0.789474
141 A3N 0.571429 0.783784
142 54H 0.569767 0.785714
143 VMS 0.569767 0.785714
144 52H 0.569767 0.776471
145 7MD 0.568421 0.8375
146 AR6 AR6 0.568421 0.916667
147 48N 0.56701 0.87013
148 YLP 0.56701 0.817073
149 OVE 0.565789 0.90411
150 UPA 0.565657 0.881579
151 2SA 0.564706 0.905405
152 S4M 0.564103 0.682353
153 53H 0.563218 0.776471
154 5CA 0.563218 0.776471
155 4UW 0.561224 0.858974
156 NAI 0.561224 0.881579
157 TXD 0.561224 0.881579
158 6V0 0.561224 0.87013
159 UP5 0.561224 0.893333
160 DND 0.561224 0.905405
161 NXX 0.561224 0.905405
162 NAX 0.561224 0.848101
163 NIA 0.56 0.820513
164 D5M 0.558442 0.902778
165 DA 0.558442 0.902778
166 MAO 0.556962 0.777778
167 AHZ 0.556701 0.814815
168 ARG AMP 0.556701 0.82716
169 ITT 0.555556 0.915493
170 TXE 0.555556 0.881579
171 TYM 0.555556 0.905405
172 OMR 0.555556 0.82716
173 5AD 0.552239 0.768116
174 A2R 0.551724 0.957747
175 LPA AMP 0.55102 0.814815
176 DSZ 0.550562 0.776471
177 LSS 0.550562 0.758621
178 NSS 0.550562 0.776471
179 YLB 0.55 0.817073
180 YLC 0.55 0.8375
181 4TC 0.55 0.87013
182 AP0 0.55 0.87013
183 P5A 0.549451 0.741573
184 139 0.54902 0.848101
185 A4P 0.544554 0.819277
186 NVA LMS 0.544444 0.758621
187 GJV 0.544304 0.769231
188 7D7 0.544118 0.763889
189 A7D 0.54321 0.797297
190 ALF ADP 3PG 0.54 0.835443
191 LA8 ALF 3PG 0.54 0.835443
192 AF3 ADP 3PG 0.54 0.835443
193 6K6 0.539326 0.957143
194 IOT 0.539216 0.829268
195 LEU LMS 0.538462 0.758621
196 A3G 0.538462 0.797297
197 A5D 0.535714 0.808219
198 7MC 0.534653 0.817073
199 T5A 0.533981 0.817073
200 YLA 0.533981 0.817073
201 ADJ 0.533981 0.82716
202 KAA 0.532609 0.75
203 GSU 0.532609 0.776471
204 7RA 0.531646 0.985507
205 SFG 0.53012 0.77027
206 SAH 0.529412 0.763158
207 AYB 0.528846 0.807229
208 CNA 0.528846 0.905405
209 N6P 0.527473 0.942029
210 8BR 0.525 0.931507
211 Y3J 0.521127 0.746479
212 YSA 0.520833 0.776471
213 7RP 0.518987 0.955882
214 G A A A 0.518868 0.87013
215 COD 0.518868 0.788235
216 BTX 0.518868 0.839506
217 NAD 0.518868 0.930556
218 MHZ 0.518072 0.714286
219 SA8 0.517647 0.725
220 6AD 0.517241 0.883117
221 DZD 0.514019 0.858974
222 BT5 0.514019 0.829268
223 RMB 0.5125 0.898551
224 SAI 0.511628 0.753247
225 AV2 0.511364 0.890411
226 NAD IBO 0.509434 0.868421
227 A3D 0.509259 0.917808
228 A3S 0.506024 0.808219
229 SAM 0.505747 0.707317
230 3AT 0.505747 0.943662
231 SMM 0.505618 0.702381
232 NA7 0.505376 0.931507
233 4TA 0.504673 0.804878
234 5GP 0.5 0.905405
235 EEM 0.5 0.707317
236 NEC 0.5 0.743243
237 AAT 0.5 0.725
238 G 0.5 0.905405
239 YLY 0.495495 0.807229
240 M24 0.495495 0.848101
241 7C5 0.494949 0.815789
242 DAT 0.494118 0.878378
243 A3T 0.494118 0.819444
244 FAI 0.493827 0.888889
245 P2P 0.493827 0.928571
246 1RB 0.493671 0.911765
247 NAE 0.491071 0.893333
248 NAJ PZO 0.490909 0.846154
249 TM1 0.489583 0.771084
250 A6D 0.489362 0.740741
251 PO4 PO4 A A A A PO4 0.489362 0.901408
252 A A A 0.489362 0.90411
253 S7M 0.488889 0.707317
254 DTP 0.488636 0.878378
255 101 0.4875 0.902778
256 RBZ 0.4875 0.873239
257 EAD 0.486957 0.848101
258 NAQ 0.486726 0.87013
259 U A G G 0.486239 0.881579
260 4YB 0.485149 0.758621
261 NDE 0.483051 0.931507
262 N0B 0.482456 0.817073
263 ZID 0.482456 0.917808
264 WSA 0.480769 0.785714
265 RGT 0.479592 0.931507
266 ARU 0.478723 0.835443
267 GGZ 0.478261 0.8
268 JLN 0.47561 0.863014
269 ANZ 0.475248 0.820513
270 ACK 0.475 0.885714
271 QQY 0.475 0.837838
272 NAJ PYZ 0.473684 0.848101
273 S8M 0.473118 0.779221
274 GEK 0.473118 0.734177
275 AVV 0.473118 0.87013
276 3AD 0.472973 0.828571
277 A U 0.471698 0.868421
278 P1H 0.470588 0.82716
279 AMP NAD 0.469565 0.88
280 0UM 0.468085 0.716049
281 RVP 0.467532 0.847222
282 649 0.466667 0.741573
283 Z5A 0.465517 0.776471
284 PMO 0.464286 0.873239
285 SXZ 0.463918 0.707317
286 62X 0.463158 0.682353
287 QQX 0.4625 0.826667
288 2VA 0.45977 0.797297
289 IMP 0.458824 0.90411
290 K15 0.458333 0.698795
291 CC5 0.458333 0.84058
292 AS 0.457831 0.855263
293 DDS 0.455556 0.851351
294 V1N 0.455446 0.943662
295 NJP 0.454545 0.918919
296 93A 0.453488 0.804878
297 G7M 0.453488 0.87013
298 7DD 0.453488 0.957143
299 3D1 0.453333 0.77027
300 3L1 0.453333 0.77027
301 NDC 0.45082 0.87013
302 FB0 0.45082 0.781609
303 0WD 0.45045 0.894737
304 26A 0.447368 0.76
305 2FA 0.447368 0.810811
306 CMP 0.447059 0.927536
307 2BA 0.447059 0.914286
308 D3Y 0.446809 0.786667
309 SO8 0.444444 0.786667
310 APU 0.444444 0.893333
311 VRT 0.444444 0.766234
312 KB1 0.444444 0.716049
313 FDA 0.443548 0.809524
314 PUA 0.443478 0.858974
315 ODP 0.441441 0.883117
316 6FA 0.44 0.817073
317 RP1 0.439024 0.864865
318 SP1 0.439024 0.864865
319 103 0.439024 0.861111
320 3NZ 0.438776 0.779221
321 7DT 0.438202 0.957143
322 U G A 0.436508 0.8375
323 NDP 0.436364 0.894737
324 NPW 0.436364 0.860759
325 MTP 0.434211 0.727273
326 NVA 2AD 0.433333 0.74026
327 FAD 0.433071 0.82716
328 SFD 0.433071 0.712766
329 FAS 0.433071 0.82716
330 TXP 0.432432 0.894737
331 IRN 0.432432 0.867647
332 NZQ 0.432432 0.883117
333 ZZB 0.432432 0.792683
334 FNK 0.430769 0.781609
335 62F 0.430769 0.8375
336 128 0.429907 0.752941
337 PLP AAD 0.429825 0.758621
338 PAX 0.428571 0.82716
339 6MD 0.428571 0.805556
340 1DA 0.428571 0.842857
341 SLU 0.426087 0.767442
342 XNP 0.424779 0.848101
343 12D 0.424528 0.761905
344 5F1 0.423077 0.72973
345 ETB 0.422414 0.809524
346 DCA 0.422414 0.8
347 WMP 0.421053 0.864865
348 GUO 0.421053 0.864865
349 FAY 0.416667 0.8375
350 38Y 0.415929 0.804878
351 5J9 0.415842 0.728395
352 NAD BBN 0.415385 0.817073
353 0T1 0.415254 0.8
354 COA 0.415254 0.8
355 KH3 0.415094 0.690476
356 FMP 0.413793 0.871429
357 U A C C 0.413793 0.857143
358 N01 0.413793 0.90411
359 RFL 0.413534 0.797619
360 NMN AMP PO4 0.412281 0.868421
361 NAD CJ3 0.409091 0.788235
362 GDP 0.408602 0.893333
363 GP2 0.408602 0.858974
364 NAP 0.408333 0.944444
365 NOC 0.407895 0.760563
366 CNV FAD 0.407407 0.770115
367 2ER 0.405941 0.831169
368 1PR 0.405941 0.820513
369 P5F 0.405797 0.8
370 TAP 0.404959 0.906667
371 CAO 0.404959 0.772727
372 AMX 0.404959 0.809524
373 COS 0.404959 0.781609
374 30N 0.404959 0.731183
375 XMP 0.402299 0.891892
376 G2P 0.402062 0.858974
377 APC G U 0.401709 0.833333
378 U A A U 0.401639 0.906667
379 CMX 0.401639 0.8
380 SCO 0.401639 0.8
381 NA0 0.401639 0.931507
382 F2N 0.4 0.790698
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WVR; Ligand: AMP; Similar sites found: 331
This union binding pocket(no: 1) in the query (biounit: 3wvr.bio6) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3M2W L8I 0.0001693 0.48351 1.00334
2 2CFM AMP 0.001135 0.4506 1.11857
3 4FL3 ANP 0.00119 0.40929 1.11857
4 4YZC STU 0.0007264 0.48093 1.23457
5 3UDZ ADP 0.00007976 0.5003 1.34228
6 3TPV ADE 0.001797 0.41054 1.36364
7 2B9F ADP 0.0002953 0.45096 1.41643
8 4UAL 3FV 0.00002208 0.52324 1.43198
9 3PE2 E1B 0.0004586 0.50014 1.48368
10 2V7O DRN 0.00005379 0.48097 1.4881
11 1I7E IBS 0.009179 0.42146 1.50943
12 5W4W 9WG 0.0004971 0.48202 1.566
13 4KBA 1QM 0.006067 0.42077 1.566
14 3VSV XYS 0.01353 0.40835 1.566
15 5DXT 5H5 0.01133 0.4014 1.566
16 4CYI ATP 0.001115 0.44979 1.59817
17 4JR7 GNP 0.000107 0.49199 1.60428
18 4I6H 1C8 0.001945 0.41662 1.62338
19 5HES 032 0.000194 0.48705 1.62866
20 2VN9 GVD 0.00009015 0.50955 1.66113
21 5LI1 ANP 0.0001465 0.49271 1.69492
22 3OFM 4B0 0.0000514 0.49241 1.71429
23 5LI9 ACP 0.0002941 0.44744 1.71429
24 1U5R ATP 0.0003276 0.45665 1.72414
25 2Q7D ANP 0.00006884 0.42495 1.7341
26 1U59 STU 0.0003462 0.44943 1.74216
27 4BHN BH9 0.0001818 0.48617 1.79641
28 3SRV S19 0.0002294 0.47437 1.80505
29 4G17 0VN 0.0006336 0.45188 1.81818
30 5MY8 RXZ 0.0006029 0.46985 1.82768
31 4F4P 0SB 0.0016 0.48267 1.8315
32 4TWP AXI 0.0009875 0.48239 1.84502
33 1Q8Y ADE 0.0001535 0.49833 1.87668
34 1Q8Y ADP 0.00007042 0.4601 1.87668
35 4EUU BX7 0.0002723 0.4142 1.88088
36 4BKJ STI 0.002778 0.43856 1.90476
37 5DH3 5BS 0.003787 0.42526 1.90476
38 1OUK 084 0.008652 0.46438 1.91257
39 5C1P ADP 0.00001745 0.51388 1.96078
40 5C1P DAL DAL 0.0000837 0.51027 1.96078
41 2B9H ADP 0.0002774 0.47546 1.983
42 2B9J ADP 0.0004021 0.45277 1.983
43 2B9I ADP 0.0006098 0.4381 1.983
44 5COU ATP 0.004006 0.41804 2.05882
45 3ALN ANP 0.001037 0.41625 2.14067
46 4IZY 1J2 0.001385 0.41092 2.16802
47 2YIP YIO 0.01814 0.40423 2.17391
48 5DMZ ADP 0.0008427 0.43423 2.19178
49 4UX9 ANP 0.0001619 0.4478 2.1978
50 5UOX 8GY 0.0003115 0.4775 2.21402
51 5MW8 ATP 0.00005628 0.51422 2.23714
52 4U98 ACP 0.00004798 0.49262 2.23714
53 2PZI AXX 0.000497 0.46194 2.23714
54 2F2U M77 0.0004975 0.46755 2.23881
55 4Y93 746 0.003688 0.43276 2.24215
56 3TXO 07U 0.0001106 0.48601 2.26629
57 2A19 ANP 0.0002277 0.4836 2.28571
58 1ZY5 ANP 0.0006589 0.44362 2.31023
59 3VOT ADP 0.00001418 0.50996 2.35294
60 2CSN CKI 0.000131 0.42195 2.3569
61 4BTK DTQ 0.0004514 0.46346 2.37389
62 2PYW ADP 0.000001529 0.52071 2.38095
63 4ZGP ADP 0.005093 0.41331 2.38908
64 2PVF ACP 0.0006144 0.4457 2.39521
65 1V0O INR 0.0002168 0.44852 2.43056
66 3HZT J60 0.0006243 0.46289 2.46085
67 5TT5 NAD 0.007876 0.41718 2.46085
68 4K33 ACP 0.0009513 0.42535 2.46154
69 5A6N U7E 0.0002859 0.47486 2.4735
70 2RIO ADP 0.0004779 0.45001 2.53456
71 4FG8 ATP 0.0002943 0.4361 2.53968
72 3RI1 3RH 0.0003115 0.40716 2.55591
73 3W0O HY0 0.0001308 0.40148 2.5788
74 3W0O ADP 0.0001308 0.40148 2.5788
75 4NFN 2KC 0.0005022 0.44825 2.589
76 5AX9 4KT 0.0005682 0.4589 2.5974
77 4ZS4 ATP 0.0003396 0.44172 2.60586
78 4XYM A12 0.0003564 0.47046 2.6087
79 5GZ9 ANP 0.00005033 0.51648 2.62295
80 3SLS ANP 0.001248 0.40706 2.63158
81 4Y0X ADP 0.00006595 0.49611 2.66667
82 5CEO 50D 0.002278 0.43137 2.66667
83 3HAV ATP 0.0003201 0.42751 2.67559
84 2VPQ ANP 0.000005001 0.56328 2.68456
85 3PLS ANP 0.0003121 0.46831 2.68456
86 4U44 3D9 0.0004153 0.46511 2.68456
87 3UIM ANP 0.002301 0.41459 2.76074
88 4ASE AV9 0.004034 0.43399 2.83286
89 2FCU AKG 0.01564 0.40818 2.8754
90 4CQE CQE 0.0005822 0.41669 2.8777
91 5JKG 6LF 0.006062 0.43684 2.89389
92 4AZT LY2 0.001621 0.44328 2.90828
93 1TQP ATP 0.0001676 0.42409 2.90828
94 3PDT ADP 0.00132 0.43753 2.90909
95 1EHI ADP 0.0001483 0.45579 2.91777
96 4OTH DRN 0.0002573 0.48135 2.93255
97 2GQR ADP 0.002908 0.42436 2.95359
98 4USF 6UI 0.001582 0.44839 2.96053
99 3Q60 ATP 0.001673 0.43526 2.96496
100 2XVD AS6 0.00277 0.44325 2.98013
101 5HCY 60D 0.004095 0.45048 3.02115
102 5JZJ AN2 0.0004219 0.46238 3.0303
103 3PTG 932 0.001564 0.42036 3.0303
104 5IXJ THR 0.02385 0.40085 3.0303
105 4YLL 4E3 0.0003244 0.47871 3.04709
106 3GQI ACP 0.001132 0.42613 3.09735
107 4YNM SAM 0.004096 0.41973 3.09735
108 1ZTH ADP 0.0002173 0.48456 3.10078
109 3RE4 TO1 0.0002375 0.48274 3.10078
110 1ZP9 ATP 0.000472 0.45764 3.10078
111 3DAK ANP 0.0008957 0.44511 3.10345
112 2Z7R STU 0.0000935 0.45101 3.11526
113 2F57 23D 0.0005055 0.4563 3.15457
114 3VPC ADP 0.00002902 0.46806 3.19149
115 2R5T ANP 0.0003038 0.43108 3.21716
116 1BYG STU 0.0005986 0.45299 3.23741
117 3AQV TAK 0.001135 0.44519 3.26087
118 3BU5 ATP 0.001899 0.43498 3.26797
119 1OBD ATP 0.001979 0.43425 3.26797
120 5IQD GNP 0.002824 0.45202 3.27869
121 5IQD RIO 0.002982 0.45202 3.27869
122 2YAB AMP 0.0003544 0.47057 3.3241
123 3E7O 35F 0.004336 0.43801 3.33333
124 3GGF GVD 0.0003365 0.46425 3.3557
125 2GQS ADP 0.003254 0.42214 3.37553
126 4AU8 Z3R 0.001031 0.45257 3.37838
127 1UNH IXM 0.0002129 0.46671 3.42466
128 3PN1 IVH 0.001126 0.41609 3.45912
129 5USZ SKE 0.0005876 0.47381 3.46021
130 4WOV 3SM 0.004993 0.41569 3.47003
131 1XJD STU 0.0001203 0.4611 3.47826
132 3MVH WFE 0.0001297 0.50847 3.50877
133 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0009944 0.49164 3.50877
134 2JDR L20 0.0009944 0.49164 3.50877
135 3HMO STU 0.001509 0.42782 3.50877
136 4FE2 ADP 0.001543 0.43924 3.52941
137 3ORK AGS 0.0004494 0.40724 3.53698
138 5AWM ANP 0.001321 0.44749 3.5533
139 5I35 ANP 0.00007215 0.49714 3.56234
140 4A4X JUP 0.001019 0.4608 3.58423
141 4OCV ANP 0.00008668 0.46506 3.69393
142 1O9U ADZ 0.0001525 0.5068 3.71429
143 2QCS ANP 0.0001375 0.502 3.71429
144 1RE8 BD2 0.0004471 0.50069 3.71429
145 4WB6 ATP 0.0002206 0.49227 3.71429
146 3F7Z 34O 0.000134 0.48753 3.71429
147 5UIU 8CG 0.0006245 0.47574 3.71517
148 5H2U 1N1 0.002466 0.4298 3.74532
149 2JKY 5GP 0.008449 0.40117 3.75587
150 1L1Q 9DA 0.01309 0.40029 3.76344
151 5DA3 58V 0.004113 0.42413 3.77358
152 4CC6 L5Y 0.001885 0.41461 3.77358
153 1GSA ADP 0.000001414 0.58888 3.79747
154 5C03 AGS 0.00122 0.44375 3.80117
155 4P5Z Q7M 0.001311 0.46958 3.80313
156 2IO8 ADP 0.0001243 0.43012 3.80313
157 4L9I 8PR 0.004793 0.41451 3.80313
158 1HGX 5GP 0.004305 0.42802 3.82514
159 5N87 N66 0.005535 0.43652 3.83387
160 2GU8 796 0.0005452 0.50413 3.85757
161 3KMW ATP 0.0005509 0.44568 3.87597
162 4OH4 ANP 0.0002494 0.45379 3.9039
163 4O1P ANP 0.0005827 0.4584 3.90516
164 3GC0 AMP 0.0006657 0.44542 3.95137
165 5X8I SQZ 0.0004152 0.46511 4.02685
166 1CM8 ANP 0.0009232 0.43685 4.02685
167 4OUC 5ID 0.002331 0.4264 4.02685
168 3KRL KRL 0.001994 0.40048 4.02685
169 3RIY NAD 0.01938 0.40524 4.0293
170 3KRR DQX 0.0006275 0.50684 4.0678
171 3I0O ADP 0.0004172 0.47117 4.12979
172 2VZ6 FEF 0.0009851 0.44823 4.15335
173 3G5D 1N1 0.002222 0.47293 4.1958
174 4D2S DYK 0.003449 0.41414 4.22535
175 5W2I ADP 0.0001566 0.4955 4.28016
176 5W2I I3P 0.0001566 0.4955 4.28016
177 4CLI 5P8 0.001044 0.48013 4.28135
178 3X01 AMP 0.00006274 0.52919 4.3257
179 4LH7 1X8 0.0005348 0.48642 4.33437
180 5V22 SAH 0.004641 0.41926 4.3771
181 4XV1 904 0.0001909 0.5051 4.45205
182 2WU6 DKI 0.0004638 0.41594 4.46194
183 2HGS ADP 0.0000305 0.52664 4.47427
184 4U0I 0LI 0.009302 0.42069 4.47427
185 1Z2P I3S 0.000003715 0.40261 4.47427
186 1Z2P ACP 0.000003715 0.40261 4.47427
187 4UWH JXM 0.001121 0.44073 4.49251
188 2AQX ATP 0.00007037 0.45199 4.49827
189 4CRL C1I 0.0005278 0.48368 4.5614
190 2WEL K88 0.0007099 0.41936 4.66667
191 4FMU 0UM 0.004936 0.4235 4.67626
192 1M0W ANP 0.0002542 0.46974 4.69799
193 1TZD ADP 0.0002724 0.41341 4.72727
194 3QCQ 3Q0 0.002989 0.48291 4.80769
195 5LVP ATP 0.0002685 0.46414 4.82315
196 4YZN 4K5 0.0007596 0.46147 4.87805
197 3LXK MI1 0.00006047 0.42584 4.89297
198 4JDI ANP 0.0007453 0.42566 4.91329
199 3AKK ADP 0.0002988 0.47398 4.92308
200 5KO1 6UY 0.002062 0.43113 4.947
201 3IDB ANP 0.0001103 0.43817 4.96894
202 4C2W ANP 0.0004072 0.44941 5.01792
203 5IH9 6BF 0.001845 0.45986 5.07463
204 1QB7 ADE 0.00816 0.41002 5.08475
205 4Y85 499 0.002271 0.42923 5.12048
206 2H8H H8H 0.001823 0.41796 5.14541
207 4MO2 FDA 0.02402 0.40823 5.16304
208 3FHI ANP 0.0001378 0.50196 5.19481
209 4WNP 3RJ 0.0001646 0.48408 5.22648
210 1E4E ADP 0.0003524 0.44084 5.24781
211 4YMJ 4EJ 0.0002226 0.49985 5.26316
212 1W2D ADP 0.00004988 0.51479 5.28302
213 2BKK ADP 0.0004406 0.45338 5.32544
214 3V8S 0HD 0.00007951 0.49523 5.36913
215 5UKL SIX 0.001556 0.45369 5.36913
216 3IGO ANP 0.0002411 0.43204 5.36913
217 1I8T FAD 0.02624 0.40821 5.36913
218 3PVW QRX 0.0004496 0.40174 5.36913
219 2OFV 242 0.002436 0.45396 5.41516
220 3KN5 ANP 0.0009857 0.43789 5.53846
221 5BVE 4VG 0.0007805 0.50035 5.54017
222 3GNI ATP 0.001846 0.40716 5.57185
223 4GLW 0XT 0.001458 0.45088 5.57377
224 4IDT T28 0.0005024 0.44926 5.59284
225 4XLI 1N1 0.0009092 0.43691 5.59701
226 3VPD ANP 0.00001139 0.54421 5.69395
227 3K5I ADP 0.0003398 0.43577 5.7072
228 2X4Z X4Z 0.0007012 0.47906 5.74324
229 4DC2 ADE 0.0001681 0.42988 5.80808
230 2R7K AMZ 0.0002978 0.48953 5.81717
231 4LRJ ANP 0.0009133 0.43852 5.91716
232 4L3L 5FI 0.0002074 0.4987 5.92105
233 5HQ0 LZ9 0.0001462 0.49054 5.95238
234 5T8O 76Z 0.0004488 0.42982 6.04027
235 2PUL ACP 0.0000195 0.50836 6.04534
236 4E1Z 0MX 0.000234 0.42876 6.18557
237 3ETH ATP 0.00001562 0.53784 6.19718
238 2XK9 XK9 0.001329 0.46683 6.21118
239 4CSV STI 0.004413 0.42577 6.26398
240 2HK5 1BM 0.001145 0.44926 6.2963
241 2X1L MET 0.01718 0.40328 6.29771
242 5G1X ADP 0.0009843 0.4457 6.34921
243 4H3Q ANP 0.0001664 0.4326 6.35359
244 2QLU ADE 0.001486 0.4464 6.36943
245 2QK4 ATP 0.00002136 0.49156 6.4877
246 4WNK 453 0.0005172 0.47966 6.4877
247 3DLS ADP 0.00008931 0.49019 6.56716
248 5EW9 5VC 0.008339 0.46525 6.64207
249 5DEY 59T 0.0009125 0.49092 6.71141
250 3GC8 B45 0.001444 0.40468 6.71141
251 5EYK 5U5 0.001579 0.45338 6.77966
252 3V4S ATP 0.00003139 0.46408 6.93512
253 3LXN MI1 0.000119 0.45289 7.2327
254 5U6C 7YS 0.0001403 0.49359 7.30159
255 2X2M X2M 0.0008156 0.4156 7.32484
256 5FBN 5WF 0.003152 0.44727 7.38007
257 2ZV2 609 0.0002245 0.48389 7.38255
258 2XMY CDK 0.001937 0.48218 7.38255
259 4X7Q 3YR 0.0002981 0.45089 7.38255
260 4R78 AMP 0.001644 0.44833 7.44337
261 4AUA 4AU 0.000485 0.45964 7.49186
262 2IF8 ADP 0.00005758 0.52666 7.60626
263 4OAV ACP 0.001375 0.42948 7.60626
264 4GJ3 0XP 0.0001991 0.50116 7.61589
265 3NW7 LGV 0.005857 0.44459 7.81759
266 1IA9 ANP 0.00003972 0.47645 7.85714
267 1K3A ACP 0.001042 0.43735 8.02676
268 4ME6 ADP 0.0004996 0.48066 8.03109
269 4GYI ADP 0.0002538 0.4754 8.06045
270 4N70 2HX 0.0007333 0.49194 8.23171
271 1CKM GTP 0.01081 0.40854 8.2774
272 1CKN GTP 0.01245 0.40556 8.2774
273 4F9C 0SX 0.0001215 0.47514 8.33333
274 3TKI S25 0.001675 0.47749 8.35913
275 2WEI VGG 0.00499 0.4115 8.36237
276 2HY0 306 0.001682 0.43752 8.38509
277 4QMN DB8 0.0007629 0.4786 8.3871
278 1PHK ATP 0.0003351 0.47169 8.38926
279 3CY2 MB9 0.0001481 0.4355 8.59873
280 5VCV 1N1 0.0009381 0.40061 8.68167
281 4O4F IHP 0.0001686 0.4978 8.87097
282 4O4F ATP 0.000154 0.4978 8.87097
283 5HVJ ANP 0.0001344 0.51239 8.88889
284 3VPB ADP 0.00003727 0.44288 8.92857
285 4IJP 1EH 0.001066 0.4507 8.94855
286 5JFS 6K0 0.001164 0.47446 9.09091
287 3FHR P4O 0.0005057 0.4334 9.22619
288 4M69 ANP 0.000277 0.47772 9.26518
289 5HX8 66P 0.0003479 0.4076 9.27152
290 3O0G 3O0 0.0006109 0.45509 9.39597
291 1IOW ADP 0.0001076 0.51869 9.47712
292 1IOW PHY 0.0001076 0.51869 9.47712
293 4BCN T9N 0.0003122 0.47125 9.54198
294 4BCM T7Z 0.001071 0.42237 9.54198
295 5EOB 5QQ 0.001666 0.47847 9.71787
296 3ORQ ADP 0.00002622 0.47676 9.81432
297 1VJY 460 0.0002038 0.50222 9.90099
298 4CFU 2WC 0.0003103 0.46584 9.92366
299 4BCQ TJF 0.0006886 0.46087 9.92366
300 2WQN ADP 0.0004938 0.46207 10.9677
301 5TO8 7FM 0.001664 0.46565 10.9929
302 4I94 ANP 0.0008706 0.43809 11.3333
303 4BFM ANP 0.00005479 0.467 11.3772
304 3C0G 3AM 0.000804 0.44242 11.396
305 5MJA 7O3 0.0007831 0.44774 11.4754
306 5TDF ADP 0.0008508 0.45522 11.6009
307 4Q5H ANP 0.000957 0.42992 12.069
308 4NST ADP 0.0003642 0.46771 12.3134
309 5EFQ ADP 0.0005447 0.45973 12.3134
310 5VC5 96M 0.0005804 0.47406 12.4567
311 4NM5 ADP 0.00008174 0.50665 12.5
312 4H3P ANP 0.001044 0.44684 12.5
313 4QM9 CYS 0.01517 0.40799 12.7168
314 3H9R TAK 0.002429 0.4401 12.844
315 4EN4 GT0 0.01904 0.41326 13.141
316 4EN4 GT1 0.01904 0.41326 13.141
317 5VZ0 ADP 0.000001687 0.57106 13.4228
318 5M06 ADP 0.0008471 0.4462 14.4928
319 2VQD AP2 0.00001638 0.48496 14.8707
320 4MV1 ADP 0.0001732 0.50563 14.9573
321 4Y8D 49J 0.000803 0.43216 15.8824
322 5L8L ADP 0.000528 0.44537 17.094
323 2QF7 AGS 0.0003817 0.48272 17.6734
324 2YW2 ATP 0.00002735 0.47344 17.8971
325 2YRX AMP 0.0004962 0.4214 18.3445
326 4Q3F TLA 0.009708 0.42299 18.8034
327 1RGE 2GP 0.01194 0.41369 19.7917
328 5UR1 YY9 0.001788 0.46742 20.5788
329 5LXM ADP 0.0006336 0.45437 23.6842
330 3ZRM ZRM 0.00008016 0.47045 25
331 4KS7 X4Z 0.0001631 0.43511 31.5068
Pocket No.: 2; Query (leader) PDB : 3WVR; Ligand: AMP; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 3wvr.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4FWE FAD 0.0392 0.40282 1.88442
2 3SXS PP2 0.002249 0.40265 2.61194
3 5IGI ZIT 0.03281 0.40049 2.99003
4 5IGI GMP 0.03134 0.40049 2.99003
5 5FI4 5XV 0.005633 0.42247 3.80313
6 3TY5 ATP 0.009981 0.40587 3.87409
7 1Y57 MPZ 0.0008201 0.40327 5.14541
8 1W2D 4IP 0.0001886 0.40211 5.28302
9 1S9D AFB 0.008702 0.4087 7.31707
10 4YRY NAD 0.03881 0.4054 8.72483
11 4LAE NAP 0.04798 0.40282 8.98204
12 4LAE 1VM 0.04798 0.40282 8.98204
Pocket No.: 3; Query (leader) PDB : 3WVR; Ligand: AMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3wvr.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3WVR; Ligand: AMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3wvr.bio4) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3WVR; Ligand: AMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3wvr.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3WVR; Ligand: AMP; Similar sites found: 9
This union binding pocket(no: 6) in the query (biounit: 3wvr.bio5) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PSC EBP 0.002757 0.41322 2.19178
2 1T36 ADP 0.00005316 0.42573 3.9267
3 4Z5W TYS ILE TYS THR GLN 0.01252 0.40912 4.02685
4 1NYW DAU 0.003285 0.42616 5.58376
5 5EFC GTP 0.01896 0.40327 5.74713
6 3S43 478 0.01712 0.40661 8.08081
7 5LMK 6ZK 0.008831 0.4003 9.68992
8 3DGY 2GP 0.01257 0.41255 16.4948
9 1KJ1 MAN 0.01885 0.40455 21.1009
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