Receptor
PDB id Resolution Class Description Source Keywords
3WQT 2.2 Å NON-ENZYME: CELL_CYCLE STAPHYLOCOCCUS AUREUS FTSA COMPLEXED WITH AMPPNP STAPHYLOCOCCUS AUREUS SUBSP. AUREUS ACTIN-LIKE FOLD STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURE OF FTSA FROM STAPHYLOCOCCUS AUREU FEBS LETT. V. 588 1879 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG D:501;
A:502;
C:501;
A:501;
D:502;
B:501;
Invalid;
Part of Protein;
Invalid;
Invalid;
Part of Protein;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
ANP C:502;
D:503;
D:503;
B:502;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
CL C:503;
D:505;
C:504;
A:504;
A:505;
B:503;
D:504;
C:505;
C:506;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WQT 2.2 Å NON-ENZYME: CELL_CYCLE STAPHYLOCOCCUS AUREUS FTSA COMPLEXED WITH AMPPNP STAPHYLOCOCCUS AUREUS SUBSP. AUREUS ACTIN-LIKE FOLD STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURE OF FTSA FROM STAPHYLOCOCCUS AUREU FEBS LETT. V. 588 1879 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 3WQT - ANP C10 H17 N6 O12 P3 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 18 families.
1 3WQT - ANP C10 H17 N6 O12 P3 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 13 families.
1 3WQT - 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 : 3WQT; Ligand: ANP; Similar sites found: 129
This union binding pocket(no: 1) in the query (biounit: 3wqt.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5C2N NAG 0.01293 0.41928 None
2 2D24 XYS XYS 0.01131 0.41124 1.37615
3 5KDX GAL TNR 0.02675 0.40215 1.65289
4 5N9X THR 0.01721 0.40148 2.06612
5 4DBH OXL 0.02979 0.40308 2.08333
6 4DHY GLC 0.004669 0.417 2.1322
7 3I7S PYR 0.01255 0.42924 2.39726
8 3KL3 DHI 0.007049 0.40717 2.47934
9 5EB4 FAD 0.01309 0.40826 2.68595
10 1YZG GDP 0.01597 0.40161 2.7933
11 1S8F GDP 0.01399 0.40066 2.82486
12 5HWK BEZ 0.01503 0.41935 2.91667
13 4MO4 ACP 0.001746 0.43556 2.96496
14 4A59 AMP 0.001086 0.43499 3.09917
15 3IB1 IMN 0.02233 0.40644 3.18841
16 4YNU FAD 0.01233 0.41303 3.30579
17 4YNU LGC 0.01651 0.41045 3.30579
18 1Q9I TEO 0.02746 0.40506 3.30579
19 2AWN ADP 0.02912 0.40245 3.30579
20 3LM9 ADP 0.0005814 0.47015 3.31126
21 3VGL ANP 0.00009085 0.49655 3.42679
22 5LY3 ADP 0.00000001832 0.64634 3.47222
23 4ZLU 4PW 0.00003232 0.51726 3.57942
24 4ZLU ADP 0.00003232 0.51726 3.57942
25 4GNI ATP 0.000000004048 0.69397 3.66748
26 2E2P ADP 0.002119 0.43883 3.67893
27 3AAQ ARU 0.00007233 0.4095 3.68272
28 4YDU ADP 0.000497 0.43881 3.79747
29 2UYT LRH 0.000005279 0.46477 3.92562
30 2UYT ADP 0.000005279 0.46477 3.92562
31 2CJZ PTR 0.03004 0.40065 3.93443
32 2IVN ANP 0.00009711 0.44672 3.93939
33 5HTX ADP 0.0005398 0.47727 4.10023
34 2V7Y ADP 0.0000001271 0.61773 4.13223
35 5LJW ANP 0.00000008079 0.56914 4.32277
36 2W41 ADP 0.0003266 0.41832 4.54545
37 1GVF PGH 0.02369 0.40511 4.54545
38 3QFU ADP 0.00000009782 0.57628 4.56853
39 4BGB ADP 0.00007565 0.51884 4.61538
40 2YHW BM3 0.0003608 0.4053 4.95627
41 4A8T PAO 0.008689 0.40306 5.30973
42 4A62 ANP 0.0000001583 0.58008 5.3125
43 2ZGY GDP 0.0000009602 0.57165 5.3125
44 2QWO ADP 0.00000005591 0.58778 5.32995
45 1YFZ IMP 0.02467 0.40592 5.36585
46 3WXL ADP 0.002492 0.46268 5.40541
47 2BUP ATP 0.000000002468 0.6405 5.51181
48 2BUP ADP 0.000000002468 0.6405 5.51181
49 1T9D P22 0.02346 0.40532 5.57851
50 3K7S R52 0.0202 0.40046 5.58659
51 1SQK ADP 0.000000002303 0.70508 5.83554
52 2V51 ATP 0.0000000009923 0.68287 5.83554
53 4PKI ATP 0.000000002619 0.67397 5.83554
54 4PKG ATP 0.000000003469 0.66878 5.83554
55 4Z94 ATP 0.00000002653 0.64792 5.83554
56 1SQK LAR 0.02055 0.40009 5.83554
57 4B1X ATP 0.000000001717 0.67294 5.85106
58 4B1X LAB 0.001663 0.4588 5.85106
59 1KXP ATP 0.00000000106 0.69068 5.86667
60 3SJH ATP 0.000000001628 0.67391 5.86667
61 3U4L ATP 0.000000001882 0.67128 5.86667
62 3U9Z ADP 0.00000000986 0.667 5.86667
63 3SJH LAR 0.000000008958 0.66271 5.86667
64 2FXU ATP 0.0000001059 0.6611 5.86667
65 4H03 ATP 0.00000001975 0.54205 5.86667
66 4H03 LAR 0.00000002219 0.53302 5.86667
67 3GDQ ADP 0.00000006289 0.50294 5.88235
68 1ONX ASP 0.01328 0.41811 5.89744
69 3Q85 GNP 0.01644 0.40486 5.91716
70 5FPE 3TR 0.0000002003 0.55646 5.94315
71 4J0Q GDP 0.01737 0.40774 6.00462
72 3ESS 18N 0.008114 0.43133 6.08696
73 5AR0 GB8 0.00000005653 0.61265 6.09137
74 3LDQ 3P1 0.000000361 0.58296 6.14035
75 3KIH GDL 0.026 0.40301 6.18557
76 4B9Q ATP 0.0000000076 0.64602 6.19835
77 4LPS GDP 0.01278 0.40249 6.19835
78 2Q97 ATP 0.000000004572 0.65844 6.20155
79 2CJW GDP 0.01166 0.41217 6.25
80 1YRO UDP 0.0008233 0.48886 6.50407
81 2A3Z ATP 0.000000004648 0.66337 6.53846
82 2D1K ATP 0.000000005959 0.65878 6.53846
83 2A42 ATP 0.000000005496 0.64387 6.53846
84 2FF3 ATP 0.00000000307 0.65411 6.66667
85 3MN9 ATP 0.000000001864 0.68025 6.68449
86 3MN6 ATP 0.000000002228 0.66823 6.68449
87 3MN7 ATP 0.000000001553 0.66099 6.68449
88 1T44 ATP 0.000000001227 0.68797 6.80272
89 4R0M FA5 0.00609 0.40786 6.84292
90 3MN5 ATP 0.000000001638 0.6738 6.96379
91 3MN5 LAB 0.01033 0.42374 6.96379
92 3ZEU AGS 0.00008516 0.47724 7.4184
93 3ZEU ADP 0.0001205 0.45974 7.4184
94 4EFH ADP 0.000000006167 0.67605 7.57576
95 3CIP ATP 0.00000004294 0.46634 7.8125
96 1WDI CIT 0.02488 0.40575 7.82609
97 4CBX ATP 0.0000000008719 0.69429 7.87402
98 1P9B HDA 0.02412 0.40727 7.91855
99 1VBO MAN 0.01062 0.40483 8.05369
100 2D0O ADP 0.000000006784 0.69391 8.05785
101 1YAG ATP 0.000000002721 0.67103 8.26667
102 2PAV ATP 0.000000004714 0.56898 8.63309
103 2ZFZ ARG 0.03007 0.42166 8.86076
104 5F1X ATP 0.00000001068 0.55487 9.25
105 4JNE ATP 0.000000009326 0.65138 9.29752
106 4CBU ATP 0.000000002285 0.62942 10.0529
107 2BES RES 0.01161 0.40823 10.4651
108 4BR5 ANP 0.0000003343 0.48298 10.7221
109 4PL8 ATP 0.000000002064 0.67837 10.9589
110 4EHU ANP 0.00000001065 0.61389 11.2319
111 1TUU ADP 0.001037 0.47503 11.2782
112 1TUU AMP 0.001577 0.45996 11.2782
113 1TUU PIS 0.005699 0.41493 11.2782
114 5EOU ATP 0.0000000007914 0.68696 11.2903
115 5U7W ADE 0.001758 0.46796 12.9108
116 2V52 ATP 0.000000002528 0.66594 15.625
117 2PBD ATP 0.0000000003562 0.71082 18.6047
118 4B1W ATP 0.0000000006196 0.67683 18.75
119 4B1W LAB 0.01471 0.40722 18.75
120 4CZG ADP 0.0000000009426 0.55109 19.2529
121 4CZG QH3 0.000000001059 0.54193 19.2529
122 2QXL ATP 0.000000006313 0.65771 21.9008
123 2YCH ATP 0.0000000001031 0.70812 24.9337
124 2A40 ATP 0.000000004235 0.66509 25
125 4B1V ATP 0.000000005647 0.57571 25
126 4B1V LAB 0.000000007297 0.55512 25
127 2FF6 ATP 0.000000001454 0.68484 34.6154
128 4B1Y ATP 0.000000001111 0.66679 37.5
129 4B1Y LAB 0.002059 0.45416 37.5
Pocket No.: 2; Query (leader) PDB : 3WQT; Ligand: ANP; Similar sites found: 26
This union binding pocket(no: 2) in the query (biounit: 3wqt.bio4) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MO9 FAD 0.04979 0.4007 2.27273
2 2Z49 AMG 0.01661 0.40829 2.31481
3 3CTY FAD 0.009296 0.41574 2.50784
4 2EB5 OXL 0.009617 0.42789 2.99625
5 3LM9 FRU 0.002125 0.40576 3.31126
6 1KC7 PPR 0.00482 0.4446 3.5124
7 1NC4 DOF 0.02941 0.40156 3.72093
8 1M3U KPL 0.02569 0.40073 4.16667
9 4FGC PQ0 0.02088 0.41175 4.24242
10 1PVS 7HP 0.01619 0.42928 4.60993
11 4DYG MES 0.01401 0.41612 5.32787
12 4NAE 1GP 0.01045 0.42702 5.33333
13 2XMY CDK 0.0125 0.42108 5.36913
14 1D8T GDP 0.02099 0.40123 6.61578
15 2J5V RGP 0.02761 0.40247 7.08447
16 3U6B GDP 0.01672 0.41019 7.1066
17 4G5G GDP 0.02005 0.40221 7.1066
18 3U6K GDP 0.02163 0.40058 7.1066
19 1VBO MAN MAN MAN 0.005296 0.43875 8.05369
20 2B6N ALA PRO THR 0.03311 0.40069 8.8843
21 1SAZ ACP 0.0005053 0.40888 9.18635
22 2QN6 GDP 0.0189 0.40749 13.9785
23 3AQ4 GDP 0.01439 0.40541 14.1304
24 1S9D GDP 0.01537 0.40403 14.7783
25 3QDV A2G 0.02135 0.41207 16.7832
26 3N5C GDP 0.01817 0.40053 17.9012
Pocket No.: 3; Query (leader) PDB : 3WQT; Ligand: ANP; Similar sites found: 7
This union binding pocket(no: 3) in the query (biounit: 3wqt.bio3) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2R09 4IP 0.01961 0.40937 2.01729
2 2R0D 4IP 0.02014 0.40451 2.01729
3 3FIU POP 0.02978 0.40248 2.40964
4 2G2Y MLI 0.007655 0.42827 3.8961
5 1Z0A GDP 0.0197 0.40099 4.02299
6 4BQS K2Q 0.02297 0.40162 6.81818
7 1U4J MAN 0.02899 0.40922 23.7288
Feedback