-->
Receptor
PDB id Resolution Class Description Source Keywords
4CS4 1.35 Å EC: 6.1.1.26 CATALYTIC DOMAIN OF PYRROLYSYL-TRNA SYNTHETASE MUTANT Y306A, Y384F IN COMPLEX WITH AMPPNP METHANOSARCINA MAZEI LIGASE AMINOACYL-TRNA SYNTHETASE NONCANONICAL AMINO ACIDS
Ref.: STRUCTURAL BASIS OF FURAN-AMINO ACID RECOGNITION BY POLYSPECIFIC AMINOACYL-TRNA-SYNTHETASE AND ITS GENE ENCODING IN HUMAN CELLS. CHEMBIOCHEM V. 15 1755 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1468;
A:1458;
A:1473;
A:1459;
A:1460;
A:1476;
A:1462;
A:1463;
A:1471;
A:1477;
A:1472;
A:1467;
A:1465;
A:1475;
A:1466;
A:1461;
A:1464;
A:1470;
A:1469;
A:1474;
Invalid;
Invalid;
Invalid;
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;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG A:1478;
A:1479;
Part of Protein;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
ANP A:1457;
Valid;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
AXZ A:1480;
Valid;
none;
submit data
290.336 C11 H18 N2 O5 S c1cc(...
PO4 A:1481;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CS4 1.35 Å EC: 6.1.1.26 CATALYTIC DOMAIN OF PYRROLYSYL-TRNA SYNTHETASE MUTANT Y306A, Y384F IN COMPLEX WITH AMPPNP METHANOSARCINA MAZEI LIGASE AMINOACYL-TRNA SYNTHETASE NONCANONICAL AMINO ACIDS
Ref.: STRUCTURAL BASIS OF FURAN-AMINO ACID RECOGNITION BY POLYSPECIFIC AMINOACYL-TRNA-SYNTHETASE AND ITS GENE ENCODING IN HUMAN CELLS. CHEMBIOCHEM V. 15 1755 2014
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
2 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
4 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
8 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
9 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
10 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
11 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
12 4CS3 - AMP LYS FU0 n/a n/a
13 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
14 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
15 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
16 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
17 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
19 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
20 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
21 2ZCE - PYH C12 H21 N3 O3 C[C@@H]1CC....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
2 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
4 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
8 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
9 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
10 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
11 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
12 4CS3 - AMP LYS FU0 n/a n/a
13 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
14 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
15 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
16 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
17 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
19 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
20 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
21 2ZCE - PYH C12 H21 N3 O3 C[C@@H]1CC....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
2 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
4 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
8 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
9 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
10 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
11 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
12 4CS3 - AMP LYS FU0 n/a n/a
13 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
14 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
15 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
16 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
17 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
19 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
20 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
21 2ZCE - PYH C12 H21 N3 O3 C[C@@H]1CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ANP; Similar ligands found: 373
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 AP5 0.802632 0.945205
5 ADP 0.802632 0.972222
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 HEJ 0.772152 0.972222
9 ATP 0.772152 0.972222
10 AT4 0.769231 0.933333
11 AN2 0.769231 0.986111
12 5FA 0.7625 0.972222
13 AQP 0.7625 0.972222
14 M33 0.759494 0.932432
15 MAP 0.752941 0.972973
16 ACP 0.75 0.945946
17 AR6 0.740741 0.945205
18 APR 0.740741 0.945205
19 ACQ 0.73494 0.945946
20 AD9 0.731707 0.945946
21 SAP 0.731707 0.921053
22 AGS 0.731707 0.921053
23 A 0.723684 0.944444
24 AMP 0.723684 0.944444
25 ATF 0.717647 0.933333
26 ADX 0.716049 0.851852
27 CA0 0.716049 0.92
28 6YZ 0.709302 0.945946
29 50T 0.707317 0.932432
30 PRX 0.698795 0.87013
31 ABM 0.696203 0.893333
32 AP2 0.679012 0.933333
33 A12 0.679012 0.933333
34 APC 0.678571 0.933333
35 T99 0.674419 0.933333
36 TAT 0.674419 0.933333
37 A22 0.674157 0.958904
38 SRA 0.670886 0.894737
39 SRP 0.670455 0.883117
40 5AL 0.666667 0.906667
41 A1R 0.659341 0.884615
42 ADQ 0.659341 0.92
43 A3R 0.659341 0.884615
44 3OD 0.648936 0.92
45 BIS 0.648936 0.909091
46 5SV 0.648352 0.82716
47 9X8 0.645161 0.896104
48 OAD 0.645161 0.92
49 25L 0.642105 0.958904
50 AMO 0.641304 0.907895
51 G5P 0.636364 0.897436
52 DLL 0.634409 0.906667
53 AHX 0.634409 0.897436
54 00A 0.634409 0.860759
55 ADV 0.632184 0.907895
56 RBY 0.632184 0.907895
57 ADP PO3 0.632184 0.917808
58 NB8 0.631579 0.897436
59 25A 0.630435 0.945205
60 OOB 0.630435 0.906667
61 8QN 0.630435 0.906667
62 G3A 0.626263 0.897436
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 TXA 0.614583 0.907895
67 1ZZ 0.614583 0.819277
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 9ZD 0.612903 0.909091
71 9ZA 0.612903 0.909091
72 3UK 0.610526 0.894737
73 SON 0.604651 0.907895
74 ADP ALF 0.604396 0.848101
75 ALF ADP 0.604396 0.848101
76 PR8 0.604167 0.829268
77 B5V 0.604167 0.883117
78 WAQ 0.604167 0.860759
79 4UV 0.6 0.871795
80 GAP 0.6 0.87013
81 PTJ 0.597938 0.873418
82 FYA 0.597938 0.881579
83 VO4 ADP 0.597826 0.906667
84 ADP VO4 0.597826 0.906667
85 LMS 0.597561 0.829268
86 UP5 0.596154 0.896104
87 FA5 0.59596 0.883117
88 YAP 0.59596 0.871795
89 PAP 0.595506 0.958333
90 A4P 0.59434 0.823529
91 XAH 0.59 0.841463
92 4UU 0.588235 0.871795
93 AFH 0.588235 0.8625
94 9SN 0.585859 0.85
95 2A5 0.58427 0.894737
96 T5A 0.583333 0.821429
97 DQV 0.582524 0.932432
98 NAI 0.580952 0.884615
99 B5M 0.58 0.871795
100 B5Y 0.58 0.871795
101 ITT 0.579545 0.917808
102 ATR 0.577778 0.944444
103 OMR 0.575472 0.831325
104 5AS 0.574713 0.781609
105 YLP 0.571429 0.8
106 48N 0.571429 0.873418
107 AP0 0.570093 0.873418
108 4TC 0.570093 0.873418
109 7D3 0.569767 0.881579
110 ADJ 0.568807 0.831325
111 GNP 0.568421 0.922078
112 9GM 0.568421 0.922078
113 DAL AMP 0.568421 0.881579
114 6V0 0.566038 0.873418
115 TXD 0.566038 0.884615
116 DND 0.566038 0.907895
117 NAX 0.566038 0.851852
118 4UW 0.566038 0.839506
119 NXX 0.566038 0.907895
120 XYA 0.565789 0.821918
121 RAB 0.565789 0.821918
122 ADN 0.565789 0.821918
123 AOC 0.564706 0.8
124 7D4 0.561798 0.881579
125 ADP BMA 0.561224 0.894737
126 TXE 0.560748 0.884615
127 TYM 0.560748 0.883117
128 GA7 0.557692 0.883117
129 YLC 0.555556 0.819277
130 YLB 0.555556 0.8
131 139 0.554545 0.851852
132 5N5 0.551282 0.797297
133 JB6 0.55 0.860759
134 LAQ 0.54717 0.819277
135 F2R 0.544643 0.843373
136 MYR AMP 0.544554 0.797619
137 5CD 0.544304 0.783784
138 A4D 0.544304 0.797297
139 80F 0.54386 0.821429
140 7MD 0.542857 0.864198
141 6AD 0.542553 0.886076
142 A2R 0.541667 0.958904
143 UPA 0.541284 0.884615
144 YLA 0.540541 0.8
145 A A 0.54 0.918919
146 BTX 0.539823 0.821429
147 COD 0.539823 0.793103
148 HFD 0.537634 0.921053
149 G5A 0.537634 0.781609
150 3DH 0.535714 0.753247
151 AYB 0.535714 0.790698
152 CNA 0.535714 0.907895
153 BT5 0.535088 0.811765
154 ATP A A A 0.533981 0.905405
155 IOT 0.531532 0.811765
156 MTA 0.53012 0.753247
157 3AM 0.529412 0.90411
158 A3P 0.52809 0.944444
159 PPS 0.526316 0.851852
160 NAD 0.526316 0.906667
161 EP4 0.52439 0.734177
162 7D5 0.52381 0.855263
163 AMP DBH 0.52381 0.87013
164 J7C 0.522727 0.75
165 A5A 0.520833 0.809524
166 EAD 0.520661 0.851852
167 TSB 0.520408 0.821429
168 AHZ 0.518519 0.797619
169 DTA 0.518072 0.766234
170 M2T 0.518072 0.716049
171 A3D 0.517241 0.894737
172 6RE 0.517241 0.740741
173 YLY 0.516949 0.790698
174 SSA 0.515464 0.802326
175 NA7 0.514852 0.933333
176 ARG AMP 0.514019 0.809524
177 AR6 AR6 0.514019 0.893333
178 7MC 0.513514 0.843373
179 A2P 0.511111 0.930556
180 52H 0.510204 0.781609
181 VMS 0.510204 0.790698
182 54H 0.510204 0.790698
183 TYR AMP 0.509434 0.848101
184 TAD 0.509259 0.8625
185 NAQ 0.508333 0.85
186 A3N 0.505618 0.766234
187 AV2 0.505155 0.893333
188 53H 0.50505 0.781609
189 5CA 0.50505 0.802326
190 8X1 0.50505 0.755556
191 ARU 0.504951 0.839506
192 ZID 0.504132 0.894737
193 P1H 0.504 0.831325
194 NAE 0.5 0.871795
195 3AT 0.5 0.945205
196 AVV 0.5 0.873418
197 P5A 0.495146 0.747253
198 NSS 0.49505 0.802326
199 LSS 0.49505 0.764045
200 DSZ 0.49505 0.802326
201 N0B 0.491803 0.8
202 AF3 ADP 3PG 0.491071 0.817073
203 NVA LMS 0.490196 0.755556
204 DAT 0.489362 0.881579
205 IMO 0.488889 0.90411
206 ZAS 0.488636 0.792208
207 FDA 0.488372 0.813953
208 NAJ PZO 0.487395 0.85
209 4TA 0.487179 0.788235
210 LPA AMP 0.486486 0.797619
211 LEU LMS 0.485437 0.755556
212 DTP 0.484536 0.881579
213 V3L 0.484536 0.945205
214 S4M 0.483516 0.651685
215 GJV 0.483516 0.731707
216 DZD 0.483051 0.8625
217 2AM 0.482759 0.917808
218 5AD 0.481013 0.726027
219 GSU 0.480769 0.781609
220 KAA 0.480769 0.755556
221 NDE 0.480315 0.907895
222 M24 0.479339 0.851852
223 MAO 0.478261 0.761905
224 NEC 0.477778 0.727273
225 DSH 0.477778 0.707317
226 FAS 0.477273 0.831325
227 FAD 0.477273 0.831325
228 RGT 0.476636 0.933333
229 9K8 0.47619 0.698925
230 G A A A 0.474576 0.85
231 0WD 0.474576 0.897436
232 FNK 0.474074 0.786517
233 5X8 0.473684 0.74359
234 6FA 0.473282 0.821429
235 NDC 0.472868 0.85
236 FB0 0.472868 0.786517
237 YSA 0.472222 0.781609
238 7DD 0.468085 0.958333
239 OVE 0.466667 0.881579
240 MHZ 0.463158 0.701149
241 8PZ 0.462963 0.802326
242 A G 0.462185 0.860759
243 AMP NAD 0.462185 0.881579
244 A3G 0.461538 0.779221
245 NAJ PYZ 0.459677 0.809524
246 6C6 0.459184 0.858974
247 SFG 0.458333 0.730769
248 U A G G 0.458333 0.860759
249 7D7 0.45679 0.723684
250 128 0.45614 0.8
251 SFD 0.455224 0.736842
252 6IA 0.454545 0.817073
253 DDS 0.454545 0.855263
254 GDP 0.454545 0.896104
255 ODP 0.453782 0.886076
256 NJP 0.453782 0.921053
257 7DT 0.453608 0.958333
258 A7D 0.452632 0.75641
259 Z5A 0.452381 0.802326
260 WSA 0.452174 0.790698
261 U A 0.45082 0.884615
262 7C5 0.45045 0.797468
263 FAY 0.449275 0.841463
264 NDP 0.449153 0.897436
265 SA8 0.44898 0.690476
266 A5D 0.44898 0.766234
267 71V 0.446809 0.884615
268 GGZ 0.446602 0.804878
269 RFL 0.446043 0.802326
270 2SA 0.445545 0.907895
271 SAI 0.444444 0.716049
272 GP3 0.444444 0.897436
273 SAH 0.444444 0.725
274 PO4 PO4 A A A A PO4 0.443396 0.878378
275 A A A 0.443396 0.881579
276 4YB 0.442478 0.764045
277 SMM 0.441176 0.670455
278 S7M 0.441176 0.674419
279 GTP 0.441176 0.896104
280 Y3J 0.440476 0.706667
281 SAM 0.44 0.674419
282 649 0.439655 0.747253
283 12D 0.438596 0.809524
284 A3S 0.4375 0.789474
285 NPW 0.436975 0.864198
286 GCP 0.436893 0.873418
287 AAT 0.435644 0.690476
288 GNH 0.435644 0.909091
289 EEM 0.435644 0.674419
290 ETB 0.435484 0.813953
291 DCA 0.435484 0.804598
292 N6P 0.433962 0.890411
293 NZQ 0.433333 0.886076
294 TXP 0.433333 0.897436
295 PGS 0.43299 0.860759
296 APU 0.432203 0.871795
297 PUA 0.432 0.8625
298 62F 0.431655 0.841463
299 F2N 0.431507 0.795455
300 DA 0.430108 0.855263
301 D5M 0.430108 0.855263
302 J7V 0.429688 0.813953
303 NIA 0.428571 0.848101
304 COA 0.428571 0.804598
305 6K6 0.428571 0.905405
306 A3T 0.428571 0.8
307 0T1 0.428571 0.804598
308 P5F 0.427586 0.804598
309 AAM 0.425532 0.944444
310 0UM 0.424528 0.682353
311 8Q2 0.423729 0.775281
312 G1R 0.423077 0.884615
313 AMZ 0.422222 0.891892
314 C2R 0.422222 0.88
315 A U 0.420168 0.848101
316 IDP 0.42 0.894737
317 GSP 0.419048 0.851852
318 30N 0.418605 0.736842
319 CAO 0.418605 0.777778
320 DG1 0.418605 0.897436
321 1DG 0.418605 0.897436
322 COS 0.418605 0.786517
323 AMX 0.418605 0.813953
324 TM1 0.418182 0.797619
325 A6D 0.416667 0.746988
326 K15 0.416667 0.666667
327 V1N 0.415929 0.893333
328 CMX 0.415385 0.804598
329 SCO 0.415385 0.804598
330 GEK 0.415094 0.719512
331 XNP 0.414634 0.851852
332 NHD 0.414634 0.881579
333 9JJ 0.413793 0.841463
334 AIR 0.413793 0.876712
335 COK 0.413534 0.786517
336 G2R 0.412844 0.8625
337 ACO 0.412214 0.777778
338 FAM 0.412214 0.786517
339 FCX 0.412214 0.777778
340 NAP 0.410853 0.92
341 FA9 0.409396 0.843373
342 SXZ 0.409091 0.694118
343 HAX 0.409091 0.806818
344 TAP 0.407692 0.884615
345 2MC 0.407407 0.752688
346 62X 0.407407 0.651685
347 GKE 0.40708 0.8625
348 GDC 0.40708 0.8625
349 GDD 0.40708 0.8625
350 3KK 0.406015 0.786517
351 FYN 0.406015 0.804598
352 NVA 2AD 0.405941 0.740741
353 NA0 0.40458 0.907895
354 101 0.404255 0.855263
355 G 0.40404 0.883117
356 5GP 0.40404 0.883117
357 HDV 0.403846 0.87013
358 MGP 0.403846 0.8625
359 OXK 0.402985 0.786517
360 MCD 0.402985 0.786517
361 CA6 0.402985 0.714286
362 SOP 0.402985 0.786517
363 3AD 0.402299 0.783784
364 S8M 0.401869 0.78481
365 YE1 0.40146 0.795455
366 NMX 0.4 0.782609
367 7RP 0.4 0.902778
368 2VA 0.4 0.779221
369 1VU 0.4 0.777778
370 CO6 0.4 0.786517
371 CMC 0.4 0.786517
372 6G0 0.4 0.8625
373 GMV 0.4 0.873418
Ligand no: 2; Ligand: AXZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AXZ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CS4; Ligand: AXZ; Similar sites found with APoc: 274
This union binding pocket(no: 1) in the query (biounit: 4cs4.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
2 4QPW XYP XYP XYP None
3 5HWV MBN None
4 1V3S ATP None
5 3L8H FX1 None
6 2Z6C FMN None
7 5KK4 44E None
8 4QAC KK3 1.38249
9 5JJU AMP 1.45985
10 3ACL 3F1 1.45985
11 1W96 S1A 1.45985
12 6D61 4AA 1.53846
13 1UKG MMA 1.5873
14 2BVE PH5 1.68067
15 5UC4 83S 1.81818
16 1OFZ FUC 1.82482
17 1XXR MAN 1.86335
18 12AS AMP 2.18978
19 2OJW ADP 2.18978
20 3NKS ACJ 2.18978
21 1ZY5 ANP 2.18978
22 4ZH7 FUC GAL NAG GAL FUC 2.18978
23 5Z3I ADE 2.26415
24 6BU3 3GK 2.29008
25 1V7Z CRN 2.30769
26 2WGV CIT 2.41935
27 3NCQ ATP 2.52101
28 2Z3U CRR 2.55474
29 1RYD GLC 2.55474
30 3JU6 ANP 2.55474
31 1FDJ 13P 2.55474
32 4D52 GIV 2.55474
33 2X1E X1E 2.55474
34 4D4U FUC GAL NAG 2.55474
35 3EFS BTN 2.57511
36 2QES ADE 2.68199
37 1VBO MAN 2.68456
38 2G30 ALA ALA PHE 2.71318
39 6GBV FMN 2.73973
40 5XIO ANP 2.91971
41 5XIO HFG 2.91971
42 1SDW IYT 2.91971
43 1VRP ADP 2.91971
44 1WOG 16D 2.91971
45 3IWD M2T 2.94118
46 6EWZ APC 2.95359
47 4XTX 590 2.96296
48 6BR7 BEF 3.00752
49 3CBC DBS 3.0303
50 4RKX 3S9 3.06513
51 2GJ5 VD3 3.08642
52 1UPR 4IP 3.25203
53 2PNC CLU 3.28467
54 1LSH PLD 3.28467
55 2E5A LAQ 3.28467
56 4L9Z OXL 3.28467
57 1JX6 AI2 3.28467
58 3I4X DST 3.28467
59 1WPY BTN 3.40426
60 2DXU BT5 3.40426
61 4UAA 3GK 3.42205
62 4UA7 3GK 3.42205
63 4DDS 0J7 3.42205
64 4DDY DN6 3.42205
65 3MEH THP 3.4965
66 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 3.57143
67 1Y7P RIP 3.58744
68 5EJL C2E 3.62903
69 2I4O ATP 3.64964
70 5VAD PRO 3.64964
71 5VAD 91Y 3.64964
72 3HXU A5A 3.64964
73 4YVN EBS 3.64964
74 5HC0 NPO 3.64964
75 5T8U LPA 3.64964
76 4GCZ FMN 3.64964
77 3GD9 GLC BGC BGC BGC 3.64964
78 5X30 7XF 3.64964
79 4IAW LIZ 3.7234
80 2GQS C2R 3.79747
81 6CC0 EWM 3.79747
82 3DWQ NGC GAL NGA POL AZI 3.96825
83 1SES AMP 4.0146
84 4RF7 ARG 4.0146
85 5LHT TIH 4.0146
86 1F9V ADP 4.0146
87 3KU0 ADE 4.0146
88 4L9I 8PR 4.0146
89 1QCI ADE 4.0146
90 3RGA LSB 4.0146
91 1SES AHX 4.0146
92 2NV2 GLN 4.0146
93 2VFT SOR 4.0146
94 5KR7 6X9 4.0146
95 4B0T ADP 4.0146
96 4YBN FAD 4.01786
97 3GD8 GOL 4.03587
98 3AQT RCO 4.08163
99 3QDV NDG 4.1958
100 3QDY CBS 4.1958
101 2ART LPA AMP 4.19847
102 4URS C2E 4.25532
103 1LOP SIN ALA PRO ALA NIT 4.26829
104 4R38 RBF 4.28571
105 4M1U A2G MBG 4.28571
106 4FE2 AIR 4.31373
107 3TEG DAH 4.37956
108 2VL1 GLY GLY 4.37956
109 3A16 PXO 4.37956
110 5VM6 9EG 4.37956
111 4E28 9MZ 4.37956
112 3H4Z GLC GLC 4.37956
113 4IFP MAL 4.37956
114 5AZA MAL 4.37956
115 4XO8 KGM 4.43038
116 1Q3P GLU ALA GLN THR ARG LEU 4.58716
117 6EV2 BGC 4.60829
118 2P0D I3P 4.65116
119 2CJA ATP 4.74453
120 3JQ3 ADP 4.74453
121 2J5B TYE 4.74453
122 2CJ9 SSA 4.74453
123 5MRH Q9Z 4.74453
124 2CYC TYR 4.74453
125 3IAL PR8 4.74453
126 5UKL SIX 4.74453
127 4JIQ FMN 4.74453
128 4JIQ 1L5 4.74453
129 4URG C2E 4.79042
130 5DYO FLU 5.04587
131 5WHT SIA 5.07246
132 5WHT SIA GAL GLC 5.07246
133 5WHT SIA GAL 5.07246
134 1G51 AMO 5.10949
135 1HXD BTN 5.10949
136 6GW4 CHO 5.10949
137 5SVV FMN 5.10949
138 3B6R ADP 5.10949
139 1C1X HFA 5.10949
140 1BW9 PPY 5.10949
141 4HIA FMN 5.11364
142 2PR5 FMN 5.30303
143 1UYY BGC BGC 5.34351
144 5WHU SIA GAL 5.36913
145 1FHW I5P 5.42636
146 4H2W AMP 5.47445
147 3MF2 AMP 5.47445
148 4H2W 5GP 5.47445
149 1YFS ALA 5.47445
150 4H2V AMP 5.47445
151 2VGD XYP XYP 5.50459
152 2VDF OCT 5.5336
153 1X8X TYR 5.59006
154 5LX9 OLB 5.6338
155 5J75 6GQ 5.68182
156 4RYV ZEA 5.80645
157 4V1F BQ1 5.81395
158 1WLJ U5P 5.82011
159 4MOB ADP 5.83942
160 4YDQ HFG 5.83942
161 4YDQ ANP 5.83942
162 5F7U GLC GLC 5.83942
163 5V59 8X1 5.83942
164 6EOP F15 5.83942
165 1I7M CG 5.97015
166 1R1Q ACE ARG GLU PTR VAL ASN VAL 6
167 2IVD ACJ 6.06695
168 1USF NAP 6.17978
169 1NU4 MLA 6.18557
170 6FA4 D1W 6.20438
171 5TVF CGQ 6.20438
172 3ZJX BOG 6.20438
173 3SAO DBH 6.25
174 5KJW 53C 6.32318
175 1F5F DHT 6.34146
176 5H9Y BGC BGC BGC BGC 6.56934
177 3E7S AT2 6.56934
178 1J78 VDY 6.56934
179 2X00 GYN 6.56934
180 1NBU PH2 6.72269
181 3TW1 AHN 6.75105
182 4QYN RTL 6.76692
183 4WUJ FMN 6.80272
184 5Y4R C2E 6.89655
185 3LQV ADE 6.95652
186 4RDL FUC GAL NDG FUC 7.14286
187 1X54 4AD 7.29927
188 1MJT ITU 7.29927
189 3QPB URA 7.29927
190 1KDK DHT 7.34463
191 2BOS GLA GAL GLC 7.35294
192 2BOS GLA GAL 7.35294
193 6GNO XDI 7.40741
194 2YKL NLD 7.40741
195 2J9D AMP 7.56302
196 2J9D ADP 7.56302
197 1DZK PRZ 7.64331
198 4IEN GDP 7.97546
199 2ZTG A5A 8.0292
200 3A7R LAQ 8.0292
201 1OFL NGK GCD 8.39416
202 4DQ2 BTX 8.39416
203 5FPE 3TR 8.39416
204 2IU8 PLM 8.39416
205 3KIF GDL 8.49057
206 5TZO 7V7 8.51064
207 4Q5H ANP 8.62069
208 5XIJ ANP 8.75912
209 5XIJ 873 8.75912
210 5LUN OGA 8.75912
211 5OCG 9R5 8.99471
212 5HCF BGC 9.12409
213 1U6R ADP 9.12409
214 1RZX ACE VAL LYS GLU SER LEU VAL 9.18367
215 2AZ5 307 9.45946
216 1O6B ADP 9.46746
217 3ERR AMP 9.48905
218 2RHQ GAX 9.48905
219 4H2X G5A 9.48905
220 5F6U 5VK 9.55414
221 4RHS SIA SIA GAL 9.83607
222 6E1Q CFA 9.85401
223 1N9L FMN 10.0917
224 1LFO OLA 10.1562
225 2AGC DAO 10.5839
226 4XR8 MAL 10.596
227 5L83 ASP TRP GLU ILE VAL 10.7143
228 3CM2 X23 10.7692
229 4UTU LRY 11.3537
230 2RDE C2E 11.5538
231 2V0U FMN 11.6438
232 5W75 SUC 11.6788
233 4WOE ADP 11.6788
234 3H0L ADP 11.7021
235 5DJT FMN 11.7241
236 5EFW FMN 11.7241
237 3DRW AMP 12.0438
238 3QX9 ATP 12.3188
239 2WPU KYT 13.1387
240 3LF0 ATP 13.1579
241 4NS0 PIO 13.5338
242 5E6O TRP GLU GLU LEU 13.5593
243 4HWS 1B3 13.8686
244 2XGT NSS 14.2336
245 2QHV OC9 14.2336
246 2QHS OCA 14.2336
247 3NEM AMO 14.5985
248 3NEM ATP 14.5985
249 1H3F TYE 14.5985
250 2FB3 MET 15.3285
251 5B09 4MX 15.3846
252 5O3Q CMP 15.8333
253 3G1Z AMP 16.7883
254 3A5Y KAA 17.1533
255 3A5Z KAA 17.1533
256 5FUI APY 17.4242
257 3REU ATP 17.5182
258 4WQQ MAN 17.7305
259 2WKQ FMN 18.2482
260 4YRI 4JH 19.3431
261 3UH0 TSB 19.3431
262 3WG3 A2G GAL NAG FUC 19.6629
263 2J3M PRI 20.438
264 2J3M ATP 20.438
265 3BJU ATP 21.1679
266 1WLE SRP 21.5328
267 1B7Y FYA 21.8978
268 1N13 AG2 22.1239
269 3E9I XAH 22.6277
270 4HWT 1B2 22.9927
271 3QO8 SSA 23.3577
272 1E1O LYS 24.4526
273 2QQC AG2 28.5714
274 1KGI T4A 29.9213
Pocket No.: 2; Query (leader) PDB : 4CS4; Ligand: AXZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4cs4.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4CS4; Ligand: ANP; Similar sites found with APoc: 268
This union binding pocket(no: 3) in the query (biounit: 4cs4.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4QPW XYP XYP XYP None
2 5HWV MBN None
3 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
4 1ZEI CRS None
5 1V3S ATP None
6 4P9Z NMI PTR 02K ASN NH2 None
7 3UW5 MAA CHG PRO 0DQ None
8 2Z6D FMN None
9 5KK4 44E None
10 2Z6C FMN None
11 1GT4 UNA None
12 4QAC KK3 1.38249
13 5JJU AMP 1.45985
14 3ACL 3F1 1.45985
15 1W96 S1A 1.45985
16 2HRL SIA GAL SIA BGC NGA CEQ 1.5748
17 1UKG MMA 1.5873
18 2BVE PH5 1.68067
19 1XXR MAN 1.86335
20 12AS AMP 2.18978
21 2OJW ADP 2.18978
22 3NKS ACJ 2.18978
23 4ZH7 FUC GAL NAG GAL FUC 2.18978
24 5Z3I ADE 2.26415
25 6BU3 3GK 2.29008
26 1V7Z CRN 2.30769
27 2WGV CIT 2.41935
28 2Z3U CRR 2.55474
29 5AB1 BCD TA5 HP6 MAN 2.55474
30 4D52 GIV 2.55474
31 1FDJ 13P 2.55474
32 3JU6 ANP 2.55474
33 1RYD GLC 2.55474
34 2X1E X1E 2.55474
35 4D4U FUC GAL NAG 2.55474
36 4FFG 0U8 2.55474
37 3EFS BTN 2.57511
38 2QES ADE 2.68199
39 1VBO MAN 2.68456
40 6GBV FMN 2.73973
41 5XIO ANP 2.91971
42 5XIO HFG 2.91971
43 1SDW IYT 2.91971
44 1VRP ADP 2.91971
45 4P25 FUC GAL NAG FUC 2.91971
46 3IWD M2T 2.94118
47 6EWZ APC 2.95359
48 4XTX 590 2.96296
49 6BR7 BEF 3.00752
50 3CBC DBS 3.0303
51 2AG4 LP3 3.04878
52 2AG4 OLA 3.04878
53 4RKX 3S9 3.06513
54 1UPR 4IP 3.25203
55 2PNC CLU 3.28467
56 1LSH PLD 3.28467
57 2E5A LAQ 3.28467
58 4L9Z OXL 3.28467
59 1UAY ADN 3.30579
60 1WPY BTN 3.40426
61 4UAA 3GK 3.42205
62 4DDS 0J7 3.42205
63 4DDY DN6 3.42205
64 4UA7 3GK 3.42205
65 4DE1 0J6 3.42205
66 4DE3 DN8 3.42205
67 4DE2 DN3 3.42205
68 6BT6 3GK 3.42205
69 3UEC ALA ARG TPO LYS 3.42466
70 3MEH THP 3.4965
71 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 3.57143
72 1Y7P RIP 3.58744
73 5EJL C2E 3.62903
74 3HXU A5A 3.64964
75 5VAD PRO 3.64964
76 4YVN EBS 3.64964
77 5VAD 91Y 3.64964
78 2I4O ATP 3.64964
79 3PUA OGA 3.64964
80 3GD9 GLC BGC BGC BGC 3.64964
81 4GCZ FMN 3.64964
82 4IAW LIZ 3.7234
83 3UYW TAU 3.73832
84 2GQS C2R 3.79747
85 5H9P TD2 3.79747
86 6CC0 EWM 3.79747
87 1B0U ATP 3.81679
88 3DWQ NGC GAL NGA POL AZI 3.96825
89 1SES AMP 4.0146
90 4RF7 ARG 4.0146
91 5LHT TIH 4.0146
92 1F9V ADP 4.0146
93 3KU0 ADE 4.0146
94 1SES AHX 4.0146
95 4DC2 ADE 4.0146
96 2NV2 GLN 4.0146
97 4L9I 8PR 4.0146
98 2H7C SIA 4.0146
99 1QCI ADE 4.0146
100 5KR7 6X9 4.0146
101 4B0T ADP 4.0146
102 4YBN FAD 4.01786
103 3GD8 GOL 4.03587
104 3AQT RCO 4.08163
105 2ART LPA AMP 4.19847
106 6DZN AE3 4.22535
107 4M1U A2G MBG 4.28571
108 4R38 RBF 4.28571
109 4FE2 AIR 4.31373
110 3TEG DAH 4.37956
111 2VL1 GLY GLY 4.37956
112 4WCX MET 4.37956
113 3A16 PXO 4.37956
114 5VM6 9EG 4.37956
115 4E28 9MZ 4.37956
116 4XO8 KGM 4.43038
117 1BC5 ACE ASN TRP GLU THR PHE 4.46097
118 1Q3P GLU ALA GLN THR ARG LEU 4.58716
119 2P0D I3P 4.65116
120 2CJ9 SSA 4.74453
121 3IAL PR8 4.74453
122 2J5B TYE 4.74453
123 3JQ3 ADP 4.74453
124 2CJA ATP 4.74453
125 5MRH Q9Z 4.74453
126 5DYO FLU 5.04587
127 5WHT SIA 5.07246
128 5WHT SIA GAL GLC 5.07246
129 5WHT SIA GAL 5.07246
130 1G51 AMO 5.10949
131 1HXD BTN 5.10949
132 3B6R ADP 5.10949
133 4HIA FMN 5.11364
134 3KYG 5GP 5GP 5.28634
135 2PR5 FMN 5.30303
136 1UYY BGC BGC 5.34351
137 5WHU SIA GAL 5.36913
138 1FHW I5P 5.42636
139 4XMF HSM 5.43478
140 3MF2 AMP 5.47445
141 4H2V AMP 5.47445
142 1YFS ALA 5.47445
143 4H2W AMP 5.47445
144 4H2W 5GP 5.47445
145 2POC UD1 5.47445
146 2VGD XYP XYP 5.50459
147 2VDF OCT 5.5336
148 1X8X TYR 5.59006
149 5LX9 OLB 5.6338
150 5J75 6GQ 5.68182
151 6C0B PAM 5.76923
152 4RYV ZEA 5.80645
153 4V1F BQ1 5.81395
154 5OFW 9TW 5.8296
155 4MOB ADP 5.83942
156 5V59 8X1 5.83942
157 4YDQ HFG 5.83942
158 4YDQ ANP 5.83942
159 5F7U GLC GLC 5.83942
160 1I7M CG 5.97015
161 1R1Q ACE ARG GLU PTR VAL ASN VAL 6
162 2W5P CL8 6.04027
163 1SQL GUN 6.16438
164 1USF NAP 6.17978
165 1NU4 MLA 6.18557
166 6FA4 D1W 6.20438
167 5TVF CGQ 6.20438
168 5CIC 51R 6.20438
169 3ZJX BOG 6.20438
170 2QPU QPS 6.20438
171 3SAO DBH 6.25
172 5KJW 53C 6.32318
173 1F5F DHT 6.34146
174 5H9Y BGC BGC BGC BGC 6.56934
175 3E7S AT2 6.56934
176 2ZL4 ALA ALA ALA ALA 6.63265
177 1NBU PH2 6.72269
178 3TW1 AHN 6.75105
179 4QYN RTL 6.76692
180 4WUJ FMN 6.80272
181 5Y4R C2E 6.89655
182 5WL1 CUY 7.07071
183 5WL1 D3D 7.07071
184 4RDL FUC GAL NDG FUC 7.14286
185 1X54 4AD 7.29927
186 1MJT ITU 7.29927
187 3QPB URA 7.29927
188 1KDK DHT 7.34463
189 2BOS GLA GAL GLC 7.35294
190 2BOS GLA GAL 7.35294
191 6GNO XDI 7.40741
192 2YKL NLD 7.40741
193 5JSP DQY 7.9602
194 4IEN GDP 7.97546
195 2ZTG A5A 8.0292
196 3A7R LAQ 8.0292
197 1OFL NGK GCD 8.39416
198 5G48 1FL 8.39416
199 5FPE 3TR 8.39416
200 2IU8 PLM 8.39416
201 4DQ2 BTX 8.39416
202 3KIF GDL 8.49057
203 5TZO 7V7 8.51064
204 5XIJ ANP 8.75912
205 5XIJ 873 8.75912
206 5LUN OGA 8.75912
207 5OCG 9R5 8.99471
208 1ZGS XMM 9.12409
209 5HCF BGC 9.12409
210 1U6R ADP 9.12409
211 1RZX ACE VAL LYS GLU SER LEU VAL 9.18367
212 1O6B ADP 9.46746
213 3ERR AMP 9.48905
214 4H2X G5A 9.48905
215 2RHQ GAX 9.48905
216 5F6U 5VK 9.55414
217 4RHS SIA SIA GAL 9.83607
218 6E1Q CFA 9.85401
219 2AGC DAO 10.5839
220 5L83 ASP TRP GLU ILE VAL 10.7143
221 3CM2 X23 10.7692
222 4HN1 TYD 10.9453
223 5OQW A4E 11.0236
224 4UTU LRY 11.3537
225 1O51 ADP 11.4035
226 5W75 SUC 11.6788
227 4WOE ADP 11.6788
228 3H0L ADP 11.7021
229 1NFU RRP 11.7949
230 3DRW AMP 12.0438
231 3UW4 MAA CHG PRO 0DQ 13.0435
232 2WPU KYT 13.1387
233 3LF0 ATP 13.1579
234 4NS0 PIO 13.5338
235 5E6O TRP GLU GLU LEU 13.5593
236 5HP8 PYR 13.7097
237 4HWS 1B3 13.8686
238 2XGT NSS 14.2336
239 2QHV OC9 14.2336
240 2QHS OCA 14.2336
241 3NEM AMO 14.5985
242 3NEM ATP 14.5985
243 1H3F TYE 14.5985
244 4MZU TYD 15.3285
245 5B09 4MX 15.3846
246 5O3Q CMP 15.8333
247 3G1Z AMP 16.7883
248 1ZNY GDP 16.9082
249 3A5Y KAA 17.1533
250 3A5Z KAA 17.1533
251 5FUI APY 17.4242
252 3REU ATP 17.5182
253 4WQQ MAN 17.7305
254 4YRI 4JH 19.3431
255 3UH0 TSB 19.3431
256 3WG3 A2G GAL NAG FUC 19.6629
257 2J3M ATP 20.438
258 2J3M PRI 20.438
259 3BJU ATP 21.1679
260 1WLE SRP 21.5328
261 1B7Y FYA 21.8978
262 1N13 AG2 22.1239
263 3E9I XAH 22.6277
264 4HWT 1B2 22.9927
265 3QO8 SSA 23.3577
266 1E1O LYS 24.4526
267 2QQC AG2 28.5714
268 1KGI T4A 29.9213
Pocket No.: 4; Query (leader) PDB : 4CS4; Ligand: ANP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4cs4.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback