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Receptor
PDB id Resolution Class Description Source Keywords
4CH3 2.28 Å EC: 6.1.1.26 STRUCTURE OF PYRROLYSYL-TRNA SYNTHETASE IN COMPLEX WITH ADENYLATED BUTYRYL LYSINE METHANOSARCINA MAZEI LIGASE NON-NATURAL AMINO ACID PYRROLYSINE
Ref.: STRUCTURAL BASIS FOR THE SITE-SPECIFIC INCORPORATIO LYSINE DERIVATIVES INTO PROTEINS. PLOS ONE V. 9E96198 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1456;
A:1458;
A:1459;
A:1460;
A:1457;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
YLB A:500;
Valid;
none;
submit data
545.483 C20 H32 N7 O9 P CCCC(...
MG A:1455;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
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: YLB; Similar ligands found: 300
No: Ligand ECFP6 Tc MDL keys Tc
1 YLB 1 1
2 YLP 0.871287 0.97561
3 AYB 0.798165 0.987805
4 YLC 0.794393 0.951219
5 LAD 0.762376 0.950617
6 YLA 0.756757 0.928571
7 YLY 0.735043 0.963855
8 N0B 0.702479 0.928571
9 SRP 0.693069 0.901235
10 ME8 0.688679 0.882353
11 5AL 0.673267 0.876543
12 NB8 0.672897 0.847059
13 AMO 0.666667 0.878049
14 4AD 0.650943 0.86747
15 8QN 0.641509 0.876543
16 YAP 0.63964 0.86747
17 CA0 0.63 0.843373
18 FA5 0.625 0.878049
19 PAJ 0.62037 0.858824
20 PRX 0.601942 0.888889
21 1ZZ 0.598214 0.927711
22 PTJ 0.598214 0.847059
23 XAH 0.591304 0.904762
24 WAQ 0.589286 0.925926
25 M33 0.582524 0.831325
26 A2D 0.58 0.819277
27 TYM 0.578512 0.878049
28 F2R 0.576 0.883721
29 AN2 0.572816 0.809524
30 AHX 0.571429 0.847059
31 DLL 0.571429 0.853659
32 TXA 0.570175 0.855422
33 BA3 0.568627 0.819277
34 5SV 0.567568 0.891566
35 SAP 0.566038 0.781609
36 AGS 0.566038 0.781609
37 ABM 0.564356 0.819277
38 ADP 0.563107 0.819277
39 B4P 0.563107 0.819277
40 AP5 0.563107 0.819277
41 AT4 0.557692 0.790698
42 ANP 0.555556 0.8
43 OOB 0.553571 0.853659
44 3UK 0.552632 0.843373
45 ADX 0.552381 0.747253
46 IOT 0.552 0.917647
47 ARG AMP 0.55 0.872093
48 AMP 0.55 0.817073
49 A 0.55 0.817073
50 B5V 0.547826 0.833333
51 ATP 0.54717 0.819277
52 HEJ 0.54717 0.819277
53 ACP 0.54717 0.821429
54 50T 0.54717 0.788235
55 9SN 0.547009 0.804598
56 SRA 0.544554 0.77907
57 00A 0.54386 0.813953
58 B5Y 0.542373 0.845238
59 APR 0.542056 0.841463
60 AQP 0.542056 0.819277
61 AR6 0.542056 0.841463
62 5FA 0.542056 0.819277
63 9ZD 0.539823 0.835294
64 9ZA 0.539823 0.835294
65 OAD 0.53913 0.865854
66 AU1 0.537736 0.8
67 AD9 0.537037 0.8
68 A1R 0.535088 0.902439
69 PR8 0.534483 0.962963
70 DAL AMP 0.530973 0.853659
71 FYA 0.529915 0.853659
72 3OD 0.529915 0.865854
73 B5M 0.529412 0.845238
74 OMR 0.528 0.916667
75 ACQ 0.527273 0.821429
76 9X8 0.525862 0.823529
77 MYR AMP 0.525424 0.904762
78 A12 0.52381 0.833333
79 AP2 0.52381 0.833333
80 COD 0.523077 0.918605
81 NAI 0.52 0.793103
82 ATF 0.517857 0.790698
83 LAQ 0.516129 0.860465
84 SON 0.514019 0.878049
85 GAP 0.513514 0.865854
86 6YZ 0.513274 0.821429
87 4UU 0.512195 0.823529
88 4UV 0.508197 0.823529
89 4UW 0.507937 0.816092
90 A22 0.504348 0.809524
91 BIS 0.504202 0.813953
92 TAT 0.5 0.790698
93 25A 0.5 0.819277
94 T99 0.5 0.790698
95 7MD 0.5 0.927711
96 APC 0.5 0.833333
97 TYR AMP 0.495935 0.845238
98 KAA 0.495798 0.815217
99 ADQ 0.495726 0.843373
100 A3R 0.495726 0.902439
101 ADV 0.495495 0.855422
102 RBY 0.495495 0.855422
103 ADP PO3 0.495495 0.817073
104 G3A 0.491935 0.784091
105 MAP 0.491379 0.781609
106 AP0 0.488372 0.784091
107 48N 0.488189 0.847059
108 G5P 0.488 0.784091
109 BT5 0.485075 0.873563
110 M24 0.481752 0.786517
111 80F 0.481481 0.8
112 TXE 0.48062 0.835294
113 NVA LMS 0.478992 0.795699
114 TSB 0.478632 0.741935
115 A5A 0.478261 0.75
116 5AS 0.477064 0.782609
117 J7C 0.476636 0.752941
118 GA7 0.47619 0.855422
119 AFH 0.47619 0.816092
120 25L 0.47541 0.809524
121 K15 0.475 0.833333
122 SMM 0.474138 0.752809
123 SSA 0.474138 0.763441
124 6V0 0.472868 0.804598
125 TXD 0.472868 0.835294
126 NAX 0.472868 0.827586
127 DQV 0.472441 0.831325
128 GTA 0.472441 0.777778
129 GJV 0.472222 0.755814
130 6RE 0.471698 0.744186
131 GSU 0.471074 0.782609
132 LSS 0.470588 0.765957
133 VMS 0.470085 0.734043
134 54H 0.470085 0.734043
135 SA8 0.469027 0.797619
136 JB6 0.467213 0.835294
137 5CA 0.466102 0.763441
138 53H 0.466102 0.726316
139 7MC 0.465649 0.928571
140 ADP ALF 0.465517 0.761364
141 ALF ADP 0.465517 0.761364
142 G5A 0.464912 0.782609
143 LMS 0.462264 0.728261
144 DND 0.461538 0.833333
145 NXX 0.461538 0.833333
146 ADP VO4 0.461538 0.809524
147 VO4 ADP 0.461538 0.809524
148 AMP DBH 0.460317 0.77907
149 0UM 0.458333 0.876543
150 DSZ 0.458333 0.763441
151 NSS 0.458333 0.744681
152 52H 0.457627 0.726316
153 EEM 0.456897 0.758621
154 FB0 0.455782 0.88764
155 CAJ 0.455782 0.931035
156 NAQ 0.453901 0.825581
157 LPA AMP 0.453846 0.83908
158 AOC 0.453704 0.714286
159 YSA 0.452381 0.744681
160 CA6 0.452055 0.806122
161 CNA 0.451852 0.833333
162 LEU LMS 0.45082 0.757895
163 UP5 0.450382 0.802326
164 KH3 0.449612 0.845238
165 TAD 0.449612 0.816092
166 S7M 0.449153 0.758621
167 SAM 0.448276 0.758621
168 AMX 0.447552 0.918605
169 0T1 0.446809 0.930233
170 BTX 0.445255 0.862069
171 ADJ 0.444444 0.850575
172 T5A 0.444444 0.840909
173 CMX 0.444444 0.930233
174 UPA 0.443609 0.813953
175 4TC 0.443609 0.804598
176 3DH 0.443396 0.714286
177 DCA 0.442857 0.908046
178 62X 0.442623 0.793103
179 ARU 0.442623 0.775281
180 SAI 0.439655 0.761905
181 NMX 0.439189 0.840426
182 ADP BMA 0.439024 0.821429
183 A3D 0.438849 0.843373
184 5X8 0.438596 0.746988
185 SFG 0.438596 0.777778
186 HAX 0.438356 0.88764
187 NAE 0.43662 0.845238
188 AF3 ADP 3PG 0.43609 0.795455
189 6IA 0.435897 0.858824
190 A A 0.435484 0.797619
191 AHZ 0.435115 0.797753
192 NAD 0.434783 0.831325
193 2A5 0.434783 0.843373
194 0WD 0.434783 0.784091
195 EAD 0.434483 0.827586
196 CA8 0.434211 0.806122
197 139 0.433824 0.848837
198 ATP A A A 0.433071 0.807229
199 8PZ 0.433071 0.744681
200 EP4 0.432692 0.717647
201 ETB 0.432624 0.853933
202 P1H 0.432432 0.850575
203 MCD 0.432432 0.909091
204 6AD 0.432203 0.775281
205 9K8 0.432 0.704082
206 5CD 0.431373 0.698795
207 PAP 0.431034 0.807229
208 ZID 0.430556 0.821429
209 RAB 0.43 0.731707
210 XYA 0.43 0.731707
211 ADN 0.43 0.731707
212 8X1 0.429752 0.776596
213 A4P 0.42963 0.782609
214 M2T 0.428571 0.681818
215 CAO 0.427586 0.877778
216 4YB 0.427481 0.765957
217 SAH 0.42735 0.771084
218 SCD 0.426667 0.930233
219 COA 0.426573 0.908046
220 P5A 0.424 0.826087
221 BCO 0.423841 0.909091
222 FCX 0.421769 0.898876
223 FAM 0.421769 0.88764
224 5N5 0.421569 0.731707
225 A3S 0.421053 0.768293
226 7D5 0.420561 0.785714
227 PPS 0.420168 0.728261
228 AR6 AR6 0.419847 0.819277
229 7D3 0.419643 0.788235
230 S4M 0.419643 0.772727
231 HXC 0.419355 0.888889
232 ATR 0.418803 0.795181
233 30N 0.417808 0.831579
234 COS 0.417808 0.88764
235 0ET 0.417722 0.888889
236 A4D 0.417476 0.710843
237 7D4 0.417391 0.788235
238 MHZ 0.417391 0.804598
239 P5F 0.417178 0.804348
240 MAO 0.415929 0.804598
241 A3P 0.415929 0.817073
242 NAJ PZO 0.415493 0.764045
243 VRT 0.415254 0.817073
244 DTA 0.415094 0.705882
245 SCO 0.414966 0.930233
246 WSA 0.414815 0.752688
247 GEK 0.414634 0.764706
248 A1S 0.414474 0.88764
249 A3G 0.414414 0.780488
250 NEC 0.414414 0.731707
251 CO8 0.414013 0.888889
252 A3T 0.413793 0.756098
253 SOP 0.413333 0.88764
254 NDE 0.413333 0.811765
255 NDP 0.413043 0.784091
256 HDC 0.4125 0.888889
257 ACO 0.412162 0.877778
258 F0P 0.411765 0.819277
259 UCC 0.411392 0.888889
260 DCC 0.411392 0.888889
261 MYA 0.411392 0.888889
262 ST9 0.411392 0.888889
263 5F9 0.411392 0.888889
264 MFK 0.411392 0.888889
265 DZD 0.411348 0.858824
266 MTA 0.411215 0.714286
267 A3N 0.410714 0.705882
268 1VU 0.410596 0.898876
269 MRS 0.409938 0.888889
270 MRR 0.409938 0.888889
271 A2R 0.409836 0.831325
272 01K 0.409639 0.88764
273 2MC 0.407895 0.849462
274 NVA 2AD 0.40678 0.807229
275 FYN 0.406667 0.908046
276 3KK 0.406667 0.88764
277 3CP 0.406452 0.909091
278 KB1 0.40625 0.747126
279 IVC 0.405229 0.897727
280 3HC 0.405229 0.897727
281 ITT 0.405172 0.77381
282 649 0.404412 0.787234
283 AMP NAD 0.404255 0.831325
284 NAJ PYZ 0.40411 0.731183
285 COK 0.403974 0.88764
286 OXK 0.403974 0.909091
287 NHM 0.403727 0.888889
288 NHW 0.403727 0.888889
289 UOQ 0.403727 0.888889
290 A2P 0.403509 0.804878
291 COO 0.402597 0.88764
292 FNK 0.402516 0.806452
293 3NZ 0.401575 0.764706
294 8Q2 0.40146 0.721649
295 CO6 0.401316 0.88764
296 CMC 0.401316 0.909091
297 GRA 0.401274 0.909091
298 2CP 0.4 0.898876
299 3AM 0.4 0.804878
300 MC4 0.4 0.840426
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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