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Receptor
PDB id Resolution Class Description Source Keywords
4CH4 2.16 Å EC: 6.1.1.26 STRUCTURE OF PYRROLYSYL-TRNA SYNTHETASE IN COMPLEX WITH ADENYLATED CROTONYL 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)...
YLC A:500;
Valid;
none;
submit data
543.467 C20 H30 N7 O9 P C/C=C...
MG A:1455;
Part of Protein;
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: YLC; Similar ligands found: 254
No: Ligand ECFP6 Tc MDL keys Tc
1 YLC 1 1
2 YLP 0.817308 0.951219
3 YLB 0.794393 0.951219
4 AYB 0.765766 0.939759
5 LAD 0.762376 0.974684
6 YLA 0.756757 0.951219
7 YLY 0.720339 0.939759
8 SRP 0.693069 0.924051
9 ME8 0.688679 0.880952
10 N0B 0.688525 0.951219
11 5AL 0.673267 0.898734
12 AMO 0.666667 0.9
13 NB8 0.657407 0.86747
14 8QN 0.641509 0.898734
15 YAP 0.63964 0.888889
16 CA0 0.63 0.864198
17 FA5 0.625 0.9
18 PAJ 0.62037 0.857143
19 4AD 0.62037 0.888889
20 PTJ 0.598214 0.845238
21 XAH 0.591304 0.926829
22 F2R 0.58871 0.904762
23 AN2 0.588235 0.829268
24 M33 0.582524 0.851852
25 A2D 0.58 0.839506
26 TYM 0.578512 0.9
27 DLL 0.571429 0.875
28 PRX 0.571429 0.841463
29 AHX 0.571429 0.86747
30 TXA 0.570175 0.876543
31 BA3 0.568627 0.839506
32 ADX 0.567308 0.764045
33 IOT 0.564516 0.916667
34 ABM 0.564356 0.839506
35 B4P 0.563107 0.839506
36 ADP 0.563107 0.839506
37 AP5 0.563107 0.839506
38 50T 0.561905 0.807229
39 WAQ 0.561404 0.925
40 AT4 0.557692 0.809524
41 1ZZ 0.556522 0.880952
42 ANP 0.555556 0.819277
43 OOB 0.553571 0.875
44 3UK 0.552632 0.864198
45 4UU 0.55 0.865854
46 A 0.55 0.8375
47 AMP 0.55 0.8375
48 B5V 0.547826 0.853659
49 ATP 0.54717 0.839506
50 ACP 0.54717 0.841463
51 HEJ 0.54717 0.839506
52 9SN 0.547009 0.823529
53 4UV 0.546219 0.865854
54 00A 0.54386 0.833333
55 B5Y 0.542373 0.865854
56 APR 0.542056 0.8625
57 5FA 0.542056 0.839506
58 AR6 0.542056 0.8625
59 AQP 0.542056 0.839506
60 9ZD 0.539823 0.855422
61 9ZA 0.539823 0.855422
62 5SV 0.539823 0.845238
63 AU1 0.537736 0.819277
64 ARG AMP 0.53719 0.892857
65 AD9 0.537037 0.819277
66 AGS 0.537037 0.8
67 SAP 0.537037 0.8
68 A1R 0.535088 0.901235
69 PR8 0.534483 0.9625
70 4UW 0.532258 0.857143
71 DAL AMP 0.530973 0.875
72 3OD 0.529915 0.8875
73 FYA 0.529915 0.851852
74 B5M 0.529412 0.865854
75 ACQ 0.527273 0.841463
76 OAD 0.525862 0.8875
77 AP2 0.52381 0.853659
78 A12 0.52381 0.853659
79 ATF 0.517857 0.809524
80 SRA 0.514563 0.797619
81 SON 0.514019 0.9
82 GAP 0.513514 0.8875
83 6YZ 0.513274 0.841463
84 9X8 0.512821 0.843373
85 48N 0.512 0.86747
86 NAI 0.507937 0.833333
87 A22 0.504348 0.829268
88 LAQ 0.504 0.858824
89 T99 0.5 0.809524
90 25A 0.5 0.839506
91 APC 0.5 0.853659
92 TAT 0.5 0.809524
93 KAA 0.495798 0.833333
94 ADQ 0.495726 0.864198
95 A3R 0.495726 0.901235
96 RBY 0.495495 0.876543
97 ADV 0.495495 0.876543
98 G3A 0.491935 0.802326
99 BIS 0.491667 0.833333
100 MAP 0.491379 0.8
101 COD 0.488722 0.895349
102 AP0 0.488372 0.823529
103 G5P 0.488 0.802326
104 7MD 0.488 0.926829
105 MYR AMP 0.487603 0.858824
106 ADP PO3 0.482143 0.8375
107 80F 0.481481 0.83908
108 OMR 0.48062 0.870588
109 TSB 0.478632 0.758242
110 A5A 0.478261 0.766667
111 GA7 0.47619 0.853659
112 AFH 0.47619 0.835294
113 25L 0.47541 0.829268
114 SSA 0.474138 0.78022
115 BT5 0.474074 0.872093
116 NAX 0.472868 0.869048
117 TXD 0.472868 0.855422
118 DQV 0.472441 0.851852
119 GTA 0.472441 0.795455
120 GJV 0.472222 0.77381
121 TYR AMP 0.472 0.865854
122 6RE 0.471698 0.761905
123 M24 0.471014 0.804598
124 LSS 0.470588 0.763441
125 54H 0.470085 0.75
126 VMS 0.470085 0.75
127 TXE 0.469231 0.855422
128 SA8 0.469027 0.795181
129 JB6 0.467213 0.833333
130 5CA 0.466102 0.78022
131 53H 0.466102 0.741935
132 ADP ALF 0.465517 0.77907
133 ALF ADP 0.465517 0.77907
134 5X8 0.464286 0.765432
135 5AS 0.463636 0.76087
136 J7C 0.462963 0.771084
137 K15 0.46281 0.788235
138 LMS 0.462264 0.744444
139 DND 0.461538 0.853659
140 VO4 ADP 0.461538 0.829268
141 6V0 0.461538 0.845238
142 S7M 0.461538 0.755814
143 SMM 0.461538 0.75
144 ADP VO4 0.461538 0.829268
145 NXX 0.461538 0.853659
146 GSU 0.459016 0.8
147 DSZ 0.458333 0.78022
148 52H 0.457627 0.741935
149 EEM 0.456897 0.755814
150 62X 0.454545 0.770115
151 NVA LMS 0.454545 0.774194
152 7MC 0.454545 0.927711
153 YSA 0.452381 0.76087
154 G5A 0.452174 0.8
155 SAI 0.452174 0.780488
156 CNA 0.451852 0.853659
157 SFG 0.451327 0.797468
158 LEU LMS 0.45082 0.755319
159 TAD 0.449612 0.835294
160 AMP DBH 0.448819 0.797619
161 A A 0.447154 0.817073
162 0UM 0.446281 0.829268
163 FB0 0.445946 0.865169
164 BTX 0.445255 0.860465
165 T5A 0.444444 0.860465
166 ADJ 0.444444 0.870588
167 NAQ 0.443662 0.823529
168 LPA AMP 0.442748 0.837209
169 AOC 0.440367 0.753086
170 SAH 0.439655 0.790123
171 UP5 0.439394 0.843373
172 ADP BMA 0.439024 0.841463
173 A3D 0.438849 0.864198
174 KH3 0.438462 0.8
175 NAE 0.43662 0.843373
176 AF3 ADP 3PG 0.43609 0.813953
177 SAM 0.435897 0.755814
178 5N5 0.435644 0.75
179 AHZ 0.435115 0.816092
180 NAD 0.434783 0.851852
181 2A5 0.434783 0.841463
182 EAD 0.434483 0.847059
183 NSS 0.434426 0.76087
184 ATP A A A 0.433071 0.82716
185 4TC 0.432836 0.845238
186 UPA 0.432836 0.855422
187 EP4 0.432692 0.714286
188 PPS 0.432203 0.744444
189 5CD 0.431373 0.716049
190 PAP 0.431034 0.82716
191 XYA 0.43 0.75
192 ADN 0.43 0.75
193 RAB 0.43 0.75
194 3DH 0.429907 0.710843
195 8X1 0.429752 0.793478
196 A4P 0.42963 0.820225
197 0WD 0.42446 0.823529
198 P5A 0.424 0.824176
199 6IA 0.423729 0.857143
200 139 0.423358 0.869048
201 P1H 0.422819 0.848837
202 NDE 0.422819 0.831325
203 8PZ 0.421875 0.76087
204 COO 0.421053 0.886364
205 A3S 0.421053 0.7875
206 ZID 0.42069 0.841463
207 9K8 0.420635 0.701031
208 7D5 0.420561 0.804878
209 6AD 0.420168 0.793103
210 AR6 AR6 0.419847 0.839506
211 7D3 0.419643 0.807229
212 ARU 0.419355 0.772727
213 ATR 0.418803 0.814815
214 A4D 0.417476 0.728395
215 ITT 0.417391 0.792683
216 7D4 0.417391 0.807229
217 MHZ 0.417391 0.781609
218 A3P 0.415929 0.8375
219 NAJ PZO 0.415493 0.802326
220 DTA 0.415094 0.722892
221 M2T 0.415094 0.678161
222 WSA 0.414815 0.769231
223 A3T 0.413793 0.775
224 NAJ PYZ 0.413793 0.766667
225 ETB 0.412587 0.852273
226 F0P 0.411765 0.817073
227 DZD 0.411348 0.857143
228 MTA 0.411215 0.710843
229 A3N 0.410714 0.743902
230 A2R 0.409836 0.851852
231 P5F 0.408537 0.822222
232 AMX 0.408163 0.895349
233 S4M 0.40708 0.75
234 KB1 0.40625 0.764706
235 CMX 0.405405 0.906977
236 A G 0.404255 0.790698
237 AMP NAD 0.404255 0.851852
238 G A A A 0.404255 0.802326
239 CA6 0.403974 0.785714
240 MAO 0.403509 0.802326
241 A2P 0.403509 0.825
242 VRT 0.403361 0.792683
243 GEK 0.403226 0.783133
244 NDP 0.402878 0.823529
245 DCA 0.402778 0.863636
246 CO7 0.402597 0.886364
247 NEC 0.401786 0.728395
248 A3G 0.401786 0.8
249 3NZ 0.401575 0.783133
250 U A G G 0.401408 0.790698
251 NMX 0.401316 0.819149
252 HAX 0.4 0.865169
253 3AM 0.4 0.825
254 V3L 0.4 0.8625
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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