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Receptor
PDB id Resolution Class Description Source Keywords
4TQD 2.14 Å EC: 6.1.1.26 CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF IFRS BOUND WIT L-PHE AND ATP METHANOSARCINA MAZEI AMINO ACYL-TRNA SYNTHETASES ARCHAEAL PROTEINS EVOLUTION MGENETIC CODE SUBSTRATE SPECIFICITY LIGASE
Ref.: POLYSPECIFIC PYRROLYSYL-TRNA SYNTHETASES FROM DIREC EVOLUTION. PROC.NATL.ACAD.SCI.USA V. 111 16724 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:508;
A:509;
A:510;
A:507;
A:512;
A:506;
A:511;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG A:502;
A:503;
A:501;
Part of Protein;
Part of Protein;
Invalid;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
33S A:505;
Valid;
none;
submit data
291.086 C9 H10 I N O2 c1cc(...
ATP A:504;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
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: 33S; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 33S 1 1
2 PHI 0.5 1
3 IYR 0.5 0.818182
4 E42 0.490909 0.676471
5 PHE 0.488889 0.814815
6 DPN 0.488889 0.814815
7 NAL 0.471698 0.766667
8 DAH 0.469388 0.638889
9 YOF 0.442308 0.764706
10 7N8 0.42 0.621622
11 TYR 0.416667 0.741935
12 DTY 0.416667 0.741935
13 4BF 0.408163 0.928571
14 PFF 0.408163 0.928571
Ligand no: 2; Ligand: ATP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 SAP 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 2CP 0.4 0.795455
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
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