Receptor
PDB id Resolution Class Description Source Keywords
2VPQ 2.1 Å EC: 6.3.4.14 CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM S. AUREUS COMPLEXED WITH AMPPNP STAPHYLOCOCCUS AUREUS BACTERIA ATP-GRASP DOMAIN BIOTIN CARBOXYLASE LIGASE
Ref.: STRUCTURAL EVIDENCE FOR SUBSTRATE-INDUCED SYNERGISM AND HALF-SITES REACTIVITY IN BIOTIN CARBOXYLASE. PROTEIN SCI. V. 17 1706 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:1449;
B:1450;
Valid;
Valid;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
CL A:1452;
B:1453;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
MG A:1450;
A:1451;
B:1451;
B:1452;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VPQ 2.1 Å EC: 6.3.4.14 CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM S. AUREUS COMPLEXED WITH AMPPNP STAPHYLOCOCCUS AUREUS BACTERIA ATP-GRASP DOMAIN BIOTIN CARBOXYLASE LIGASE
Ref.: STRUCTURAL EVIDENCE FOR SUBSTRATE-INDUCED SYNERGISM AND HALF-SITES REACTIVITY IN BIOTIN CARBOXYLASE. PROTEIN SCI. V. 17 1706 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2VPQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2W6O ic50 = 60.8 uM OA3 C10 H13 N3 O CC1(Cc2c(c....
2 3JZI ic50 = 5 uM JZL C23 H28 Cl N5 O2 c1ccc(c(c1....
3 3JZF ic50 = 5 uM JZK C22 H25 Cl N4 O c1ccc(c(c1....
4 3G8C - BTN C10 H16 N2 O3 S C1[C@H]2[C....
5 3RV3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 2V59 Kd = 6.53 nM LZK C15 H15 N5 O2 COc1cccc(c....
7 2W70 ic50 = 12 uM L22 C7 H7 N5 S c1cnc(nc1c....
8 3RV4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 2W6P ic50 = 0.333 uM OA4 C15 H14 N4 Cc1c(ccc2c....
10 3G8D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1DV2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 2V5A ic50 = 150 nM LZL C17 H15 N5 c1ccc(cc1)....
13 2W6N ic50 = 0.125 uM OA2 C18 H17 N3 O2 c1ccc(cc1)....
14 2W6M ic50 = 21.5 uM OA1 C10 H7 Br N2 O2 c1cc(cc(c1....
15 2W6Q ic50 = 25.4 uM OA5 C11 H13 N5 O2 c1ccc(cc1)....
16 2J9G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
17 2W6Z ic50 = 1500 uM L21 C10 H13 N5 CC(=CCn1cn....
18 2V58 Kd = 0.82 nM LZJ C13 H9 Br2 N5 c1cc(c(c(c....
19 3RUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 2W71 ic50 = 0.334 uM L23 C15 H13 Cl2 N5 Cc1nc(cn1C....
21 2VQD - AP2 C11 H17 N5 O9 P2 c1nc(c2c(n....
22 4MV6 - PCT C2 H6 N O4 P C(C(=O)N)P....
23 4RZQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 4MV4 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
25 4MV1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 4MV8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
27 4MV7 - PPF C H3 O5 P C(=O)(O)P(....
28 4MV3 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
29 2VPQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2W6O ic50 = 60.8 uM OA3 C10 H13 N3 O CC1(Cc2c(c....
2 3JZI ic50 = 5 uM JZL C23 H28 Cl N5 O2 c1ccc(c(c1....
3 3JZF ic50 = 5 uM JZK C22 H25 Cl N4 O c1ccc(c(c1....
4 3G8C - BTN C10 H16 N2 O3 S C1[C@H]2[C....
5 3RV3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 2V59 Kd = 6.53 nM LZK C15 H15 N5 O2 COc1cccc(c....
7 2W70 ic50 = 12 uM L22 C7 H7 N5 S c1cnc(nc1c....
8 3RV4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 2W6P ic50 = 0.333 uM OA4 C15 H14 N4 Cc1c(ccc2c....
10 3G8D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1DV2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 2V5A ic50 = 150 nM LZL C17 H15 N5 c1ccc(cc1)....
13 2W6N ic50 = 0.125 uM OA2 C18 H17 N3 O2 c1ccc(cc1)....
14 2W6M ic50 = 21.5 uM OA1 C10 H7 Br N2 O2 c1cc(cc(c1....
15 2W6Q ic50 = 25.4 uM OA5 C11 H13 N5 O2 c1ccc(cc1)....
16 2J9G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
17 2W6Z ic50 = 1500 uM L21 C10 H13 N5 CC(=CCn1cn....
18 2V58 Kd = 0.82 nM LZJ C13 H9 Br2 N5 c1cc(c(c(c....
19 3RUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 2W71 ic50 = 0.334 uM L23 C15 H13 Cl2 N5 Cc1nc(cn1C....
21 2VQD - AP2 C11 H17 N5 O9 P2 c1nc(c2c(n....
22 4MV6 - PCT C2 H6 N O4 P C(C(=O)N)P....
23 4RZQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 4MV4 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
25 4MV1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 4MV8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
27 4MV7 - PPF C H3 O5 P C(=O)(O)P(....
28 4MV3 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
29 2VPQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ANP; Similar ligands found: 358
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 ADP 0.802632 0.972222
5 AP5 0.802632 0.945205
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 ATP 0.772152 0.972222
9 AN2 0.769231 0.986111
10 AQP 0.7625 0.972222
11 5FA 0.7625 0.972222
12 M33 0.759494 0.932432
13 MAP 0.752941 0.972973
14 ACP 0.75 0.945946
15 APR 0.740741 0.945205
16 AR6 0.740741 0.945205
17 ACQ 0.73494 0.945946
18 AD9 0.731707 0.945946
19 SAP 0.731707 0.921053
20 AGS 0.731707 0.921053
21 AMP 0.723684 0.944444
22 A 0.723684 0.944444
23 ATF 0.717647 0.933333
24 ADX 0.716049 0.851852
25 CA0 0.716049 0.92
26 50T 0.707317 0.932432
27 PRX 0.698795 0.87013
28 ABM 0.696203 0.893333
29 AMP MG 0.683544 0.868421
30 AP2 0.679012 0.933333
31 A12 0.679012 0.933333
32 APC 0.678571 0.933333
33 TAT 0.674419 0.933333
34 A22 0.674157 0.958904
35 SRA 0.670886 0.894737
36 SRP 0.670455 0.883117
37 5AL 0.666667 0.906667
38 ADQ 0.659341 0.92
39 A1R 0.659341 0.884615
40 ADP MG 0.654762 0.881579
41 3OD 0.648936 0.92
42 BIS 0.648936 0.909091
43 5SV 0.648352 0.82716
44 BEF ADP 0.647059 0.858974
45 ADP BEF 0.647059 0.858974
46 OAD 0.645161 0.92
47 25L 0.642105 0.958904
48 AMO 0.641304 0.907895
49 G5P 0.636364 0.897436
50 DLL 0.634409 0.906667
51 AHX 0.634409 0.897436
52 00A 0.634409 0.860759
53 ANP MG 0.633333 0.921053
54 ADV 0.632184 0.907895
55 ADP PO3 0.632184 0.917808
56 RBY 0.632184 0.907895
57 NB8 0.631579 0.897436
58 25A 0.630435 0.945205
59 8QN 0.630435 0.906667
60 OOB 0.630435 0.906667
61 G3A 0.626263 0.897436
62 ATP MG 0.625 0.881579
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 1ZZ 0.614583 0.819277
67 TXA 0.614583 0.907895
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 3UK 0.610526 0.894737
71 SON 0.604651 0.907895
72 ADP ALF 0.604396 0.848101
73 ALF ADP 0.604396 0.848101
74 WAQ 0.604167 0.860759
75 PR8 0.604167 0.829268
76 4UV 0.6 0.871795
77 GAP 0.6 0.87013
78 FYA 0.597938 0.881579
79 PTJ 0.597938 0.873418
80 ADP VO4 0.597826 0.906667
81 VO4 ADP 0.597826 0.906667
82 UP5 0.596154 0.896104
83 YAP 0.59596 0.871795
84 FA5 0.59596 0.883117
85 PAP 0.595506 0.958333
86 A4P 0.59434 0.823529
87 XAH 0.59 0.841463
88 4UU 0.588235 0.871795
89 AFH 0.588235 0.8625
90 9SN 0.585859 0.85
91 2A5 0.58427 0.894737
92 T5A 0.583333 0.821429
93 NAI 0.580952 0.884615
94 ITT 0.579545 0.917808
95 ATR 0.577778 0.944444
96 OMR 0.575472 0.831325
97 5AS 0.574713 0.781609
98 YLP 0.571429 0.8
99 48N 0.571429 0.873418
100 AP0 0.570093 0.873418
101 4TC 0.570093 0.873418
102 7D3 0.569767 0.881579
103 ADJ 0.568807 0.831325
104 GNP 0.568421 0.922078
105 DAL AMP 0.568421 0.881579
106 NXX 0.566038 0.907895
107 TXD 0.566038 0.884615
108 NAX 0.566038 0.851852
109 4UW 0.566038 0.839506
110 6V0 0.566038 0.873418
111 DND 0.566038 0.907895
112 XYA 0.565789 0.821918
113 ADN 0.565789 0.821918
114 RAB 0.565789 0.821918
115 AOC 0.564706 0.8
116 7D4 0.561798 0.881579
117 ADP BMA 0.561224 0.894737
118 TXE 0.560748 0.884615
119 TYM 0.560748 0.883117
120 YLB 0.555556 0.8
121 YLC 0.555556 0.819277
122 139 0.554545 0.851852
123 5N5 0.551282 0.797297
124 JB6 0.55 0.860759
125 LAQ 0.54717 0.819277
126 MYR AMP 0.544554 0.797619
127 A4D 0.544304 0.797297
128 5CD 0.544304 0.783784
129 7MD 0.542857 0.864198
130 6AD 0.542553 0.886076
131 A2R 0.541667 0.958904
132 UPA 0.541284 0.884615
133 YLA 0.540541 0.8
134 A A 0.54 0.918919
135 COD 0.539823 0.793103
136 BTX 0.539823 0.821429
137 G5A 0.537634 0.781609
138 CNA 0.535714 0.907895
139 AYB 0.535714 0.790698
140 3DH 0.535714 0.753247
141 BT5 0.535088 0.811765
142 ATP A A A 0.533981 0.905405
143 IOT 0.531532 0.811765
144 MTA 0.53012 0.753247
145 3AM 0.529412 0.90411
146 A3P 0.52809 0.944444
147 NAD 0.526316 0.906667
148 PPS 0.526316 0.851852
149 EP4 0.52439 0.734177
150 7D5 0.52381 0.855263
151 AMP DBH 0.52381 0.87013
152 J7C 0.522727 0.75
153 A5A 0.520833 0.809524
154 EAD 0.520661 0.851852
155 TSB 0.520408 0.821429
156 AHZ 0.518519 0.797619
157 M2T 0.518072 0.716049
158 DTA 0.518072 0.766234
159 A3D 0.517241 0.894737
160 6RE 0.517241 0.740741
161 YLY 0.516949 0.790698
162 SSA 0.515464 0.802326
163 NA7 0.514852 0.933333
164 TYR AMP 0.514286 0.858974
165 AR6 AR6 0.514019 0.893333
166 7MC 0.513514 0.843373
167 A2P 0.511111 0.930556
168 52H 0.510204 0.781609
169 VMS 0.510204 0.790698
170 54H 0.510204 0.790698
171 TAD 0.509259 0.8625
172 NAQ 0.508333 0.85
173 A3N 0.505618 0.766234
174 AV2 0.505155 0.893333
175 5CA 0.50505 0.802326
176 53H 0.50505 0.781609
177 ARU 0.504951 0.839506
178 ARG AMP 0.504587 0.809524
179 ZID 0.504132 0.894737
180 P1H 0.504 0.831325
181 3AT 0.5 0.945205
182 NAE 0.5 0.871795
183 AVV 0.5 0.873418
184 P5A 0.495146 0.747253
185 DSZ 0.49505 0.802326
186 LSS 0.49505 0.764045
187 NSS 0.49505 0.802326
188 N0B 0.491803 0.8
189 AF3 ADP 3PG 0.491071 0.817073
190 LA8 ALF 3PG 0.491071 0.817073
191 ALF ADP 3PG 0.491071 0.817073
192 NVA LMS 0.490196 0.764045
193 DAT 0.489362 0.881579
194 IMO 0.488889 0.90411
195 ZAS 0.488636 0.792208
196 FDA 0.488372 0.813953
197 NAJ PZO 0.487395 0.85
198 4TA 0.487179 0.788235
199 LPA AMP 0.486486 0.797619
200 LEU LMS 0.485437 0.764045
201 DTP 0.484536 0.881579
202 V3L 0.484536 0.945205
203 GJV 0.483516 0.731707
204 S4M 0.483516 0.651685
205 DZD 0.483051 0.8625
206 2AM 0.482759 0.917808
207 5AD 0.481013 0.726027
208 KAA 0.480769 0.755556
209 GSU 0.480769 0.781609
210 NDE 0.480315 0.907895
211 M24 0.479339 0.851852
212 MAO 0.478261 0.761905
213 DSH 0.477778 0.707317
214 NEC 0.477778 0.727273
215 FAD 0.477273 0.831325
216 FAS 0.477273 0.831325
217 RGT 0.476636 0.933333
218 0WD 0.474576 0.897436
219 G A A A 0.474576 0.85
220 FNK 0.474074 0.786517
221 5X8 0.473684 0.74359
222 6FA 0.473282 0.821429
223 FB0 0.472868 0.786517
224 NDC 0.472868 0.85
225 YSA 0.472222 0.781609
226 7DD 0.468085 0.958333
227 OVE 0.466667 0.881579
228 NAD IBO 0.466102 0.848101
229 MHZ 0.463158 0.701149
230 A3G 0.461538 0.779221
231 6C6 0.459184 0.858974
232 U A G G 0.458333 0.860759
233 SFG 0.458333 0.730769
234 7D7 0.45679 0.723684
235 128 0.45614 0.8
236 SFD 0.455224 0.736842
237 DDS 0.454545 0.855263
238 GDP 0.454545 0.896104
239 6IA 0.454545 0.817073
240 NJP 0.453782 0.921053
241 ODP 0.453782 0.886076
242 7DT 0.453608 0.958333
243 A7D 0.452632 0.75641
244 Z5A 0.452381 0.802326
245 WSA 0.452174 0.790698
246 7C5 0.45045 0.797468
247 FAY 0.449275 0.841463
248 NDP 0.449153 0.897436
249 A5D 0.44898 0.766234
250 SA8 0.44898 0.690476
251 NAJ PYZ 0.448 0.851852
252 71V 0.446809 0.884615
253 GGZ 0.446602 0.804878
254 RFL 0.446043 0.802326
255 2SA 0.445545 0.907895
256 AMP NAD 0.444444 0.858974
257 GP3 0.444444 0.897436
258 SAI 0.444444 0.716049
259 SAH 0.444444 0.725
260 A A A 0.443396 0.881579
261 PO4 PO4 A A A A PO4 0.443396 0.878378
262 4YB 0.442478 0.764045
263 GTP 0.441176 0.896104
264 SMM 0.441176 0.670455
265 S7M 0.441176 0.674419
266 Y3J 0.440476 0.706667
267 SAM 0.44 0.674419
268 649 0.439655 0.747253
269 12D 0.438596 0.809524
270 A3S 0.4375 0.789474
271 NPW 0.436975 0.864198
272 GCP 0.436893 0.873418
273 AAT 0.435644 0.690476
274 EEM 0.435644 0.674419
275 GNH 0.435644 0.909091
276 DCA 0.435484 0.804598
277 ETB 0.435484 0.813953
278 N6P 0.433962 0.890411
279 TXP 0.433333 0.897436
280 NZQ 0.433333 0.886076
281 PGS 0.43299 0.860759
282 APU 0.432203 0.871795
283 PUA 0.432 0.8625
284 62F 0.431655 0.841463
285 F2N 0.431507 0.795455
286 DA 0.430108 0.855263
287 D5M 0.430108 0.855263
288 J7V 0.429688 0.813953
289 NIA 0.428571 0.848101
290 6K6 0.428571 0.905405
291 A3T 0.428571 0.8
292 0T1 0.428571 0.804598
293 COA 0.428571 0.804598
294 P5F 0.427586 0.804598
295 AAM 0.425532 0.944444
296 0UM 0.424528 0.682353
297 G1R 0.423077 0.884615
298 AMZ 0.422222 0.891892
299 C2R 0.422222 0.88
300 A U 0.420168 0.848101
301 IDP 0.42 0.894737
302 GSP 0.419048 0.851852
303 COS 0.418605 0.786517
304 CAO 0.418605 0.777778
305 AMX 0.418605 0.813953
306 30N 0.418605 0.736842
307 DG1 0.418605 0.897436
308 1DG 0.418605 0.897436
309 TM1 0.418182 0.797619
310 A6D 0.416667 0.746988
311 K15 0.416667 0.666667
312 V1N 0.415929 0.893333
313 SCO 0.415385 0.804598
314 CMX 0.415385 0.804598
315 GEK 0.415094 0.719512
316 NHD 0.414634 0.881579
317 XNP 0.414634 0.851852
318 AIR 0.413793 0.876712
319 COK 0.413534 0.786517
320 G2R 0.412844 0.8625
321 FCX 0.412214 0.777778
322 FAM 0.412214 0.786517
323 ACO 0.412214 0.777778
324 NAP 0.410853 0.92
325 CNV FAD 0.409722 0.775281
326 FA9 0.409396 0.843373
327 SXZ 0.409091 0.694118
328 HAX 0.409091 0.806818
329 PLP AAD 0.408 0.744444
330 TAP 0.407692 0.884615
331 2MC 0.407407 0.752688
332 62X 0.407407 0.651685
333 GKE 0.40708 0.8625
334 GDD 0.40708 0.8625
335 GDC 0.40708 0.8625
336 FYN 0.406015 0.804598
337 3KK 0.406015 0.786517
338 U G A 0.405797 0.819277
339 NA0 0.40458 0.907895
340 101 0.404255 0.855263
341 G 0.40404 0.883117
342 5GP 0.40404 0.883117
343 MGP 0.403846 0.8625
344 MCD 0.402985 0.786517
345 OXK 0.402985 0.786517
346 CA6 0.402985 0.714286
347 SOP 0.402985 0.786517
348 3AD 0.402299 0.783784
349 S8M 0.401869 0.78481
350 YE1 0.40146 0.795455
351 1VU 0.4 0.777778
352 2VA 0.4 0.779221
353 CMC 0.4 0.786517
354 7RP 0.4 0.902778
355 GMV 0.4 0.873418
356 6G0 0.4 0.8625
357 CO6 0.4 0.786517
358 NMX 0.4 0.782609
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VPQ; Ligand: ANP; Similar sites found: 336
This union binding pocket(no: 1) in the query (biounit: 2vpq.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Y93 746 0.001263 0.41556 1.12108
2 3LXN MI1 0.0001493 0.47378 1.25786
3 3IGO ANP 0.0001597 0.46797 1.33038
4 5EZ1 ICB 0.004882 0.45044 1.44404
5 4Y9T PA1 0.02756 0.40556 1.44509
6 3FHR P4O 0.003965 0.41632 1.4881
7 5JSP DQY 0.02304 0.40961 1.49254
8 5LPZ ADP 0.0002537 0.47332 1.50602
9 4GYI ADP 0.0001025 0.50813 1.51134
10 3UIM ANP 0.0003908 0.46494 1.53374
11 4U98 ACP 0.00003525 0.51748 1.55211
12 5LVP ATP 0.0001424 0.50132 1.60772
13 2Z49 AMG 0.006056 0.4222 1.62037
14 3E7O 35F 0.002145 0.42825 1.66667
15 4I94 ANP 0.00356 0.42601 1.66667
16 1PHK ATP 0.0005056 0.4305 1.67785
17 4IDT T28 0.001271 0.44643 1.68539
18 4KS7 X4Z 0.00006549 0.47952 1.71233
19 1U5R ATP 0.0002998 0.47506 1.72414
20 5C03 AGS 0.000659 0.45481 1.75439
21 2PUL ACP 0.00005939 0.50714 1.76322
22 2H8H H8H 0.004633 0.41697 1.77384
23 3TTI KBI 0.0009311 0.41144 1.77384
24 1Y57 MPZ 0.003008 0.41119 1.77384
25 3KN5 ANP 0.0002189 0.42521 1.84615
26 5UIU 8CG 0.0005677 0.45132 1.85759
27 4WOV 3SM 0.002659 0.44056 1.89274
28 4IZY 1J2 0.0002744 0.46247 1.89702
29 4UX9 ANP 0.0000331 0.50176 1.92308
30 3VRY B43 0.001669 0.4103 1.98238
31 3KAL ADP 0.0001295 0.41795 1.99557
32 3DAK ANP 0.00004841 0.51727 2.06897
33 3PE2 E1B 0.0003279 0.47972 2.07715
34 4BTK DTQ 0.00203 0.4043 2.07715
35 4WNP 3RJ 0.000277 0.48751 2.09059
36 4OH4 ANP 0.0000937 0.49262 2.1021
37 1TQP ATP 0.0002768 0.44792 2.12766
38 1Q8Y ADE 0.0002122 0.50556 2.14477
39 1Q8Y ADP 0.0009676 0.43904 2.14477
40 3C1X CKK 0.006098 0.4016 2.14477
41 1TZD ADP 0.0006273 0.4879 2.18182
42 2F57 23D 0.0002778 0.48186 2.2082
43 2YAB AMP 0.0004916 0.43027 2.21607
44 3UDZ ADP 0.0001751 0.44716 2.21729
45 4EUU BX7 0.000289 0.43548 2.21729
46 2OBD PCW 0.006433 0.4079 2.21729
47 4U0I 0LI 0.003891 0.41722 2.22222
48 2QLU ADE 0.0007613 0.4761 2.2293
49 4XH0 ADP 0.001087 0.47718 2.23325
50 3ORK AGS 0.001926 0.40982 2.2508
51 1W2D ADP 0.0001129 0.51251 2.26415
52 1W2D 4IP 0.001339 0.40015 2.26415
53 4NFN 2KC 0.003954 0.42392 2.26537
54 5AX9 4KT 0.002457 0.42929 2.27273
55 3OFM 4B0 0.0000415 0.44716 2.28571
56 5GZ9 ANP 0.0003244 0.45096 2.29508
57 2RIO ADP 0.0003407 0.47253 2.30415
58 5X8I SQZ 0.00008339 0.49488 2.31214
59 3HAV ATP 0.001464 0.42924 2.34114
60 5LPB ADP 0.0002233 0.49802 2.36486
61 1M0W ANP 0.00001307 0.47009 2.43902
62 3SLS ANP 0.0002694 0.45845 2.43902
63 5MW8 ATP 0.0002192 0.45796 2.43902
64 5LXM ADP 0.0007425 0.45709 2.4735
65 4H3P ANP 0.0001333 0.48579 2.48619
66 4H3Q ANP 0.00007334 0.4775 2.48619
67 5EOB 5QQ 0.002905 0.44369 2.50784
68 4BKJ STI 0.002354 0.40453 2.53968
69 3PDT ADP 0.002354 0.43853 2.54545
70 3CY2 MB9 0.001238 0.42705 2.54777
71 4GLW 0XT 0.001842 0.45844 2.62295
72 4USF 6UI 0.001534 0.42501 2.63158
73 3MVH WFE 0.0006603 0.4063 2.63158
74 1EHI ADP 0.0000002566 0.59934 2.65252
75 3GGF GVD 0.001549 0.44702 2.65781
76 5DZT AMP 0.000469 0.49818 2.66075
77 3WVR AMP 0.000005001 0.56328 2.68456
78 3PLS ANP 0.00006718 0.45305 2.68456
79 5JZJ AN2 0.0004066 0.46902 2.6936
80 5LXC 7AA 0.00004631 0.45213 2.69608
81 2F2U M77 0.0008682 0.46915 2.73632
82 5DBX ANP 0.0001337 0.50263 2.7439
83 2Y6O 1N1 0.00174 0.42447 2.74914
84 5AWM ANP 0.0001322 0.50915 2.79188
85 4OUC 5ID 0.0007222 0.40893 2.80112
86 5KO1 6UY 0.000166 0.48677 2.82686
87 2HGS ADP 0.0000223 0.49876 2.88248
88 4OAV ACP 0.0007327 0.45735 2.88248
89 4AZT LY2 0.002063 0.45074 2.88248
90 4L9I 8PR 0.002638 0.43195 2.88248
91 4FL3 ANP 0.002059 0.42141 2.88248
92 4QTB 38Z 0.0001316 0.43689 2.89474
93 5JFS 6K0 0.002085 0.43868 2.92208
94 5MJA 7O3 0.0003333 0.47817 2.95082
95 2V7O DRN 0.0001554 0.51235 2.97619
96 4BFM ANP 0.00006536 0.48912 2.99401
97 2PVF ACP 0.0002901 0.47572 2.99401
98 5DMZ ADP 0.0006745 0.45436 3.0137
99 2XMY CDK 0.001907 0.45905 3.02013
100 5I35 ANP 0.0001718 0.48609 3.05344
101 3ALN ANP 0.003822 0.41349 3.0581
102 3AKK ADP 0.0008548 0.42334 3.07692
103 4IJP 1EH 0.0005008 0.43522 3.10421
104 4KRI 1SH 0.01173 0.42255 3.10421
105 2HY0 306 0.001048 0.45989 3.10559
106 2XK9 XK9 0.0005791 0.4581 3.10559
107 5W2I ADP 0.0007991 0.42869 3.11284
108 5W2I I3P 0.0007991 0.42869 3.11284
109 1V0O INR 0.001459 0.43531 3.125
110 3V8S 0HD 0.00004723 0.51168 3.17073
111 3VPC ADP 0.00000009105 0.60397 3.19149
112 3I0O ADP 0.00001268 0.55899 3.24484
113 3KRL KRL 0.002979 0.41467 3.28358
114 4BHN BH9 0.001237 0.43448 3.29341
115 5EXK 5AD 0.01725 0.4155 3.32326
116 3HMO STU 0.000726 0.45754 3.32594
117 2JLD AG1 0.000249 0.4114 3.33333
118 3SXS PP2 0.001595 0.42975 3.35821
119 2GQR ADP 0.0001477 0.44238 3.37553
120 4K33 ACP 0.0004278 0.45859 3.38462
121 4CFU 2WC 0.0003051 0.47996 3.43511
122 4BCN T9N 0.00065 0.46981 3.43511
123 4BCQ TJF 0.001142 0.46332 3.43511
124 4BCM T7Z 0.0002289 0.40589 3.43511
125 5USZ SKE 0.0001923 0.43704 3.46021
126 5VC5 96M 0.00134 0.40544 3.46021
127 3E7S AT2 0.01783 0.41563 3.48028
128 2R5T ANP 0.0004263 0.45009 3.48525
129 2PZI AXX 0.0008676 0.46381 3.54767
130 4UWH JXM 0.001331 0.4501 3.54767
131 2WQN ADP 0.0003618 0.48196 3.54839
132 3VPB ADP 0.00000001309 0.60827 3.57143
133 3DLS ADP 0.0003102 0.4225 3.58209
134 4ZS4 ATP 0.0003902 0.46034 3.58306
135 3TDV GDP 0.007706 0.40709 3.59477
136 1BYG STU 0.0007894 0.41051 3.59712
137 3GC0 AMP 0.0005531 0.47316 3.64742
138 4OCV ANP 0.0002029 0.47274 3.69393
139 4NM5 ADP 0.0001374 0.4663 3.71353
140 3E5A VX6 0.001055 0.41979 3.73134
141 5H2U 1N1 0.002281 0.43073 3.74532
142 4X7Q 3YR 0.00123 0.44272 3.7694
143 5DXT 5H5 0.008875 0.40099 3.7694
144 5DA3 58V 0.0006826 0.47426 3.77358
145 4CC6 L5Y 0.001471 0.46334 3.77358
146 1U59 STU 0.002257 0.43093 3.83275
147 4YZN 4K5 0.001024 0.43044 3.83275
148 1IA9 ANP 0.00004462 0.50148 3.92857
149 1O9U ADZ 0.000003536 0.6184 4
150 3F7Z 34O 0.000477 0.46107 4
151 3Q60 ATP 0.0009906 0.40887 4.04313
152 4CYI ATP 0.002536 0.42112 4.10959
153 4E1Z 0MX 0.0001986 0.45972 4.12371
154 2IF8 ADP 0.0001402 0.52174 4.13223
155 2X2M X2M 0.0009 0.43648 4.14013
156 2VZ6 FEF 0.005313 0.42617 4.15335
157 5TA6 79D 0.0009082 0.41119 4.18994
158 2IO8 ADP 0.000002933 0.52673 4.21286
159 4WW7 AMP 0.0004856 0.44772 4.21456
160 4U44 3D9 0.0009957 0.41722 4.21687
161 2GQS ADP 0.0002615 0.47777 4.21941
162 4I6H 1C8 0.0009098 0.44856 4.22078
163 4G17 0VN 0.0008978 0.40409 4.24242
164 1ZTH ADP 0.0004235 0.48441 4.26357
165 1ZP9 ATP 0.0008653 0.45883 4.26357
166 4Y0X ADP 0.00002617 0.52974 4.26667
167 4JR7 GNP 0.00009383 0.4926 4.27807
168 1RE8 BD2 0.0003269 0.47978 4.28571
169 2QCS ANP 0.0002486 0.43722 4.28571
170 5T8O 76Z 0.0003349 0.45876 4.29799
171 2VN9 GVD 0.0001452 0.51383 4.31894
172 1Z2P ACP 0.000005588 0.44383 4.32099
173 1Z2P I3S 0.000005588 0.44383 4.32099
174 2Q7D ANP 0.0000182 0.48177 4.33526
175 4OTH DRN 0.0002482 0.45994 4.39883
176 1GSA ADP 0.0000002846 0.5766 4.43038
177 4FE2 ADP 0.0004918 0.4756 4.43459
178 1Q8A HCS 0.01951 0.4123 4.43459
179 3BOF HCS 0.02316 0.40848 4.43459
180 3RI1 3RH 0.00004548 0.46572 4.47284
181 3AB4 THR 0.01814 0.40436 4.49438
182 2PYW ADP 0.00004046 0.49803 4.52381
183 4UAL 3FV 0.0002529 0.43734 4.53461
184 2A19 ANP 0.001294 0.46067 4.57143
185 3H9R TAK 0.0008524 0.47524 4.58716
186 4QM9 CYS 0.009492 0.4284 4.62428
187 3KMW ATP 0.000146 0.48932 4.65116
188 1E4E ADP 0.000002156 0.55897 4.66472
189 2ZV2 609 0.0009413 0.46743 4.69799
190 5M06 ADP 0.0001778 0.4909 4.71014
191 2WU6 DKI 0.0002763 0.45383 4.72441
192 2OO8 RAJ 0.004432 0.40742 4.73186
193 5U6C 7YS 0.0005124 0.44674 4.7619
194 4XVU ATP 0.002413 0.41512 4.80226
195 4F9C 0SX 0.0000321 0.51933 4.86111
196 1ZY5 ANP 0.0004941 0.46516 4.9505
197 3IDB ANP 0.0005417 0.44181 4.96894
198 3PP0 03Q 0.004613 0.40354 5.02959
199 3RE4 TO1 0.002958 0.44307 5.03876
200 2CSN CKI 0.0006806 0.42172 5.05051
201 5W4W 9WG 0.001478 0.41833 5.13595
202 4KBA 1QM 0.001878 0.40056 5.13595
203 5VCV 1N1 0.002293 0.41094 5.14469
204 3FHI ANP 0.0002627 0.43644 5.19481
205 4RDL FUC GAL NDG FUC 0.02189 0.41033 5.19481
206 3BU5 ATP 0.0007937 0.4512 5.22876
207 3GNI ATP 0.001891 0.42659 5.27859
208 2WEI VGG 0.0007627 0.46139 5.32151
209 4LRJ ANP 0.000832 0.45483 5.32544
210 3SRV S19 0.0003522 0.42676 5.41516
211 5EFQ ADP 0.0004223 0.46344 5.4755
212 4O1P ANP 0.0001558 0.44454 5.54324
213 3VHE 42Q 0.0006283 0.40764 5.57103
214 5IQD GNP 0.004752 0.41966 5.57377
215 5IQD RIO 0.005043 0.41966 5.57377
216 4DFU QUE 0.004043 0.44647 5.59006
217 5C4L 4XR 0.00513 0.4121 5.60748
218 4A4X JUP 0.0002964 0.43525 5.73477
219 3GQI ACP 0.000676 0.45432 5.75221
220 4D2S DYK 0.0006547 0.46966 5.76497
221 4R78 AMP 0.000989 0.472 5.82524
222 4E93 GUI 0.0005162 0.40156 5.83554
223 5TDF ADP 0.0002638 0.4632 5.8642
224 1OBD ATP 0.0008172 0.46506 5.88235
225 2AQX ATP 0.002877 0.41531 5.88235
226 3ETH ATP 0.00000003549 0.62113 5.9867
227 4IX4 ADP 0.000725 0.43011 6
228 3LXK MI1 0.0002498 0.43124 6.11621
229 5HES 032 0.000912 0.42819 6.18893
230 5CEO 50D 0.0005882 0.42072 6.20843
231 1CM8 ANP 0.0002906 0.47568 6.26703
232 4NST ADP 0.0004632 0.42729 6.26781
233 5HQ0 LZ9 0.0000834 0.48459 6.29139
234 2YAK OSV 0.0002213 0.42467 6.31579
235 5A6N U7E 0.0002203 0.44604 6.36042
236 4ASE AV9 0.002149 0.42383 6.51558
237 4CSV STI 0.002925 0.41168 6.54545
238 4YMJ 4EJ 0.0001468 0.52324 6.57895
239 3X01 AMP 0.00002651 0.5644 6.61578
240 2R7K AMZ 0.001182 0.40403 6.65188
241 1XJD STU 0.0003715 0.46127 6.66667
242 1K3A ACP 0.0005474 0.4134 6.68896
243 1S9D AFB 0.02005 0.40221 6.70732
244 4AU8 Z3R 0.001516 0.4573 6.75676
245 3TXO 07U 0.0002431 0.42942 6.79887
246 2D2F ADP 0.02019 0.41522 6.8
247 3NW7 LGV 0.008666 0.41622 6.84039
248 1UNH IXM 0.0004051 0.41339 6.84932
249 3O0G 3O0 0.001297 0.40464 6.84932
250 2B9J ADP 0.0001186 0.49344 6.87361
251 2B9F ADP 0.0001084 0.48979 6.87361
252 2B9I ADP 0.000193 0.47862 6.87361
253 2B9H ADP 0.000117 0.45443 6.87361
254 4AUA 4AU 0.002888 0.43016 6.87361
255 4JDI ANP 0.0003618 0.45733 6.93642
256 4CLI 5P8 0.0003374 0.47694 7.03364
257 4XLI 1N1 0.0005374 0.4635 7.08955
258 1I7L ATP 0.0000001194 0.58139 7.09534
259 4XYM A12 0.0001036 0.4855 7.09534
260 2PVN P63 0.0003158 0.42384 7.10227
261 4YZC STU 0.0008392 0.4524 7.16049
262 4L3L 5FI 0.0002266 0.46823 7.23684
263 4FG8 ATP 0.0005907 0.44822 7.30159
264 2WEL K88 0.00004134 0.41486 7.33333
265 5MY8 RXZ 0.0002615 0.44296 7.5718
266 4NZN ANP 0.00003129 0.40472 7.57576
267 4NZN 2OU 0.00003129 0.40472 7.57576
268 5LI1 ANP 0.0001923 0.46459 7.62712
269 5LXT ACP 0.000003659 0.53101 7.69231
270 4C2W ANP 0.0001102 0.42855 7.69231
271 5LI9 ACP 0.0001198 0.48275 7.71429
272 2CFM AMP 0.003263 0.44098 7.76053
273 4LH7 1X8 0.000943 0.47518 8.04954
274 1PK8 ATP 0.00000002555 0.59666 8.05687
275 2X4Z X4Z 0.0004026 0.46356 8.10811
276 2GUC MAN 0.01673 0.42547 8.19672
277 2NU5 NAG 0.01577 0.42303 8.19672
278 2HYR BGC GLC 0.01891 0.41676 8.19672
279 2BKK ADP 0.0006117 0.41919 8.28402
280 5HWK BEZ 0.0288 0.40357 8.33333
281 4O4F ATP 0.0005134 0.43159 8.46774
282 4O4F IHP 0.0005657 0.42479 8.46774
283 5UOX 8GY 0.001581 0.42621 8.48709
284 3TII ANP 0.000001231 0.48866 8.64745
285 2Z7R STU 0.00005269 0.48816 8.72274
286 3HZT J60 0.001004 0.46605 8.86918
287 3GC8 B45 0.0008934 0.43662 8.91892
288 5HX8 66P 0.0003525 0.43281 8.9404
289 4Q5H ANP 0.0006326 0.4556 9.1954
290 2QK4 ATP 0.0004518 0.4057 9.31264
291 2OFV 242 0.002157 0.43337 9.38628
292 5G1X ADP 0.0005364 0.46353 9.52381
293 4ZGP ADP 0.001572 0.44222 9.55631
294 5UKL SIX 0.003377 0.41558 9.67742
295 5CKW ANP 0.00443 0.43447 10.1996
296 4Y85 499 0.009876 0.40573 10.241
297 4YLL 4E3 0.000225 0.45749 10.2493
298 3V4S ATP 0.00000002213 0.62973 10.4213
299 3V4S ADP 0.0000002848 0.49131 10.4213
300 4JLS 3ZE 0.01775 0.41438 10.5263
301 2RIF AMP 0.01258 0.40446 10.6383
302 4Y8D 49J 0.0003489 0.46714 10.7143
303 2YRX AMP 0.00236 0.45776 10.8647
304 5HVJ ANP 0.0001203 0.52743 11.1111
305 5L8L ADP 0.0001463 0.507 11.1111
306 1AUX AGS 0.000000004646 0.68472 11.254
307 4K55 H6P 0.01885 0.40404 11.2903
308 4M69 ANP 0.0001982 0.4507 11.5016
309 3M2W L8I 0.0001336 0.50264 11.7057
310 3C0G 3AM 0.0003631 0.48189 11.9658
311 5K2M ADP 0.00000001085 0.63791 12.4542
312 2YW2 ATP 0.00002587 0.50635 13.082
313 3N1S 5GP 0.0112 0.41065 14.2857
314 2HK5 1BM 0.0009734 0.43893 14.4444
315 4WB6 ATP 0.0003771 0.43087 15
316 4XV1 904 0.0006473 0.45329 15.7534
317 4CQE CQE 0.00164 0.42556 16.5468
318 3VPD ANP 0.00000014 0.58198 17.4377
319 1IOW PHY 0.0000001638 0.60971 18.9542
320 1IOW ADP 0.0000001638 0.50285 18.9542
321 3VOT ADP 0.00002546 0.45547 19.2941
322 4N7C AEF 0.01309 0.42264 19.8864
323 5C1P ADP 0.000004958 0.57097 20.5882
324 5C1P DAL DAL 0.00001288 0.49355 20.5882
325 1KJ8 ATP 0.000004533 0.45368 20.7161
326 1KJ8 GAR 0.000004933 0.44799 20.7161
327 2R85 AMP 0.005326 0.4114 21.8563
328 3K5I ADP 0.00000005558 0.62049 23.0769
329 3K5I AIR 0.0000006168 0.502 23.0769
330 1T36 ADP 0.000006023 0.49434 23.5033
331 4ME6 ADP 0.00001914 0.56854 23.8342
332 3ORQ ADP 0.000000002064 0.68168 24.1379
333 3LQV ADE 0.02806 0.40065 24.3478
334 3WO0 ALA 0.000009852 0.44044 24.3902
335 3ZRM ZRM 0.00004752 0.50578 25
336 3PVW QRX 0.001522 0.41057 35.1351
Pocket No.: 2; Query (leader) PDB : 2VPQ; Ligand: ANP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2vpq.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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