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
6AAD 1.44 Å EC: 6.1.1.26 CRYSTAL STRUCTURE OF METHANOSARCINA MAZEI PYLRS(Y306A/Y384F) WITH MTMDZLYS METHANOSARCINA MAZEI JCM 9314 AMINOACYL-TRNA SYNTHETASE NON-NATURAL AMINO ACIDS TRANSLAT
Ref.: STRUCTURAL BASIS FOR GENETIC-CODE EXPANSION WITH BU LYSINE DERIVATIVES BY AN ENGINEERED PYRROLYSYL-TRNA SYNTHETASE. CELL CHEM BIOL V. 26 936 2019
Members (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6ABL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
3 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
5 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 6AAQ Kd = 3.9 mM 9U9 C17 H26 N2 O4 C1C[C@@H]2....
9 6AAO Kd = 7.8 mM 9U0 C15 H26 N2 O4 C1CCC=CC(C....
10 6AAP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
12 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
13 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
14 6AB2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
16 6ABM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4CS3 - AMP LYS FU0 n/a n/a
19 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
20 6AAN Kd = 1.76 mM 9TX C16 H20 N2 O4 C#Cc1cccc(....
21 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
22 6AB1 - 9V0 C14 H19 N5 O4 c1ccc(c(c1....
23 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
24 6ABK Kd = 11.3 mM 9VF C11 H24 N2 O4 Si C[Si](C)(C....
25 6AAC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
27 6AB0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
28 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
29 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
30 6AAD Kd = 1.62 mM 9TU C16 H19 F3 N4 O4 c1cc(cc(c1....
31 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
32 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
33 2ZCE - PYL C12 H21 N3 O3 C[C@@H]1CC....
34 6AAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
35 6AB8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6ABL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
3 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
5 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 6AAQ Kd = 3.9 mM 9U9 C17 H26 N2 O4 C1C[C@@H]2....
9 6AAO Kd = 7.8 mM 9U0 C15 H26 N2 O4 C1CCC=CC(C....
10 6AAP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
12 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
13 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
14 6AB2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
16 6ABM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4CS3 - AMP LYS FU0 n/a n/a
19 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
20 6AAN Kd = 1.76 mM 9TX C16 H20 N2 O4 C#Cc1cccc(....
21 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
22 6AB1 - 9V0 C14 H19 N5 O4 c1ccc(c(c1....
23 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
24 6ABK Kd = 11.3 mM 9VF C11 H24 N2 O4 Si C[Si](C)(C....
25 6AAC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
27 6AB0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
28 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
29 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
30 6AAD Kd = 1.62 mM 9TU C16 H19 F3 N4 O4 c1cc(cc(c1....
31 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
32 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
33 2ZCE - PYL C12 H21 N3 O3 C[C@@H]1CC....
34 6AAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
35 6AB8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6ABL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
3 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
5 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 6AAQ Kd = 3.9 mM 9U9 C17 H26 N2 O4 C1C[C@@H]2....
9 6AAO Kd = 7.8 mM 9U0 C15 H26 N2 O4 C1CCC=CC(C....
10 6AAP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
12 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
13 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
14 6AB2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
16 6ABM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4CS3 - AMP LYS FU0 n/a n/a
19 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
20 6AAN Kd = 1.76 mM 9TX C16 H20 N2 O4 C#Cc1cccc(....
21 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
22 6AB1 - 9V0 C14 H19 N5 O4 c1ccc(c(c1....
23 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
24 6ABK Kd = 11.3 mM 9VF C11 H24 N2 O4 Si C[Si](C)(C....
25 6AAC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
27 6AB0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
28 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
29 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
30 6AAD Kd = 1.62 mM 9TU C16 H19 F3 N4 O4 c1cc(cc(c1....
31 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
32 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
33 2ZCE - PYL C12 H21 N3 O3 C[C@@H]1CC....
34 6AAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
35 6AB8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: YLB; Similar ligands found: 327
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 8LH 0.644231 0.901235
16 8QN 0.641509 0.876543
17 YAP 0.63964 0.86747
18 CA0 0.63 0.843373
19 FA5 0.625 0.878049
20 KG4 0.623762 0.843373
21 PAJ 0.62037 0.858824
22 PRX 0.601942 0.888889
23 8LQ 0.601852 0.901235
24 1ZZ 0.598214 0.927711
25 PTJ 0.598214 0.847059
26 8LE 0.59434 0.845238
27 XAH 0.591304 0.904762
28 WAQ 0.589286 0.925926
29 M33 0.582524 0.831325
30 A2D 0.58 0.819277
31 TYM 0.578512 0.878049
32 F2R 0.576 0.883721
33 AN2 0.572816 0.809524
34 DLL 0.571429 0.853659
35 AHX 0.571429 0.847059
36 TXA 0.570175 0.855422
37 BA3 0.568627 0.819277
38 5SV 0.567568 0.891566
39 SAP 0.566038 0.781609
40 AGS 0.566038 0.781609
41 ABM 0.564356 0.819277
42 45A 0.564356 0.819277
43 AP5 0.563107 0.819277
44 B4P 0.563107 0.819277
45 ADP 0.563107 0.819277
46 AT4 0.557692 0.790698
47 ANP 0.555556 0.8
48 OOB 0.553571 0.853659
49 3UK 0.552632 0.843373
50 ADX 0.552381 0.747253
51 IOT 0.552 0.917647
52 A 0.55 0.817073
53 ARG AMP 0.55 0.872093
54 AMP 0.55 0.817073
55 B5V 0.547826 0.833333
56 HEJ 0.54717 0.819277
57 50T 0.54717 0.788235
58 ACP 0.54717 0.821429
59 ATP 0.54717 0.819277
60 9SN 0.547009 0.804598
61 SRA 0.544554 0.77907
62 00A 0.54386 0.813953
63 B5Y 0.542373 0.845238
64 AR6 0.542056 0.841463
65 AQP 0.542056 0.819277
66 5FA 0.542056 0.819277
67 APR 0.542056 0.841463
68 9ZA 0.539823 0.835294
69 9ZD 0.539823 0.835294
70 OAD 0.53913 0.865854
71 AU1 0.537736 0.8
72 AD9 0.537037 0.8
73 A1R 0.535088 0.902439
74 PR8 0.534483 0.962963
75 DAL AMP 0.530973 0.853659
76 FYA 0.529915 0.853659
77 3OD 0.529915 0.865854
78 B5M 0.529412 0.845238
79 OMR 0.528 0.916667
80 ACQ 0.527273 0.821429
81 9X8 0.525862 0.823529
82 MYR AMP 0.525424 0.904762
83 A12 0.52381 0.833333
84 AP2 0.52381 0.833333
85 COD 0.523077 0.918605
86 HQG 0.522124 0.831325
87 NAI 0.52 0.793103
88 ATF 0.517857 0.790698
89 LAQ 0.516129 0.860465
90 ADP MG 0.514019 0.817073
91 SON 0.514019 0.878049
92 GAP 0.513514 0.865854
93 6YZ 0.513274 0.821429
94 4UU 0.512195 0.823529
95 4UV 0.508197 0.823529
96 4UW 0.507937 0.816092
97 A22 0.504348 0.809524
98 BIS 0.504202 0.813953
99 APC 0.5 0.833333
100 TAT 0.5 0.790698
101 7MD 0.5 0.927711
102 OZV 0.5 0.819277
103 25A 0.5 0.819277
104 T99 0.5 0.790698
105 TYR AMP 0.495935 0.845238
106 KAA 0.495798 0.815217
107 ADQ 0.495726 0.843373
108 A3R 0.495726 0.902439
109 ATP MG 0.495495 0.817073
110 RBY 0.495495 0.855422
111 ADV 0.495495 0.855422
112 ADP PO3 0.495495 0.817073
113 G3A 0.491935 0.784091
114 MAP 0.491379 0.781609
115 AP0 0.488372 0.784091
116 48N 0.488189 0.847059
117 G5P 0.488 0.784091
118 BT5 0.485075 0.873563
119 APC MG 0.482143 0.819277
120 M24 0.481752 0.786517
121 80F 0.481481 0.8
122 TXE 0.48062 0.835294
123 NVA LMS 0.478992 0.795699
124 TSB 0.478632 0.741935
125 A5A 0.478261 0.75
126 5AS 0.477064 0.782609
127 J7C 0.476636 0.752941
128 AFH 0.47619 0.816092
129 GA7 0.47619 0.855422
130 25L 0.47541 0.809524
131 K15 0.475 0.833333
132 SMM 0.474138 0.752809
133 SSA 0.474138 0.763441
134 6V0 0.472868 0.804598
135 NAX 0.472868 0.827586
136 TXD 0.472868 0.835294
137 GTA 0.472441 0.777778
138 DQV 0.472441 0.831325
139 GJV 0.472222 0.755814
140 6RE 0.471698 0.744186
141 GSU 0.471074 0.782609
142 LSS 0.470588 0.765957
143 VMS 0.470085 0.734043
144 54H 0.470085 0.734043
145 SA8 0.469027 0.797619
146 JB6 0.467213 0.835294
147 5CA 0.466102 0.763441
148 53H 0.466102 0.726316
149 7MC 0.465649 0.928571
150 ADP ALF 0.465517 0.761364
151 ALF ADP 0.465517 0.761364
152 G5A 0.464912 0.782609
153 LMS 0.462264 0.728261
154 DND 0.461538 0.833333
155 NXX 0.461538 0.833333
156 VO4 ADP 0.461538 0.809524
157 ADP VO4 0.461538 0.809524
158 AMP DBH 0.460317 0.77907
159 J4G 0.459016 0.890244
160 DSZ 0.458333 0.763441
161 0UM 0.458333 0.876543
162 NSS 0.458333 0.744681
163 52H 0.457627 0.726316
164 EEM 0.456897 0.758621
165 FB0 0.455782 0.88764
166 CAJ 0.455782 0.931035
167 NAQ 0.453901 0.825581
168 LPA AMP 0.453846 0.83908
169 AOC 0.453704 0.714286
170 YSA 0.452381 0.744681
171 CA6 0.452055 0.806122
172 CNA 0.451852 0.833333
173 LEU LMS 0.45082 0.757895
174 UP5 0.450382 0.802326
175 TAD 0.449612 0.816092
176 KH3 0.449612 0.845238
177 S7M 0.449153 0.758621
178 SAM 0.448276 0.758621
179 AMX 0.447552 0.918605
180 0T1 0.446809 0.930233
181 BTX 0.445255 0.862069
182 CMX 0.444444 0.930233
183 T5A 0.444444 0.840909
184 ADJ 0.444444 0.850575
185 UPA 0.443609 0.813953
186 4TC 0.443609 0.804598
187 3DH 0.443396 0.714286
188 DCA 0.442857 0.908046
189 ARU 0.442623 0.775281
190 62X 0.442623 0.793103
191 SAI 0.439655 0.761905
192 NMX 0.439189 0.840426
193 ADP BMA 0.439024 0.821429
194 A3D 0.438849 0.843373
195 5X8 0.438596 0.746988
196 SFG 0.438596 0.777778
197 HAX 0.438356 0.88764
198 NAE 0.43662 0.845238
199 AF3 ADP 3PG 0.43609 0.795455
200 6IA 0.435897 0.858824
201 A A 0.435484 0.797619
202 AHZ 0.435115 0.797753
203 NAD 0.434783 0.831325
204 0WD 0.434783 0.784091
205 2A5 0.434783 0.843373
206 EAD 0.434483 0.827586
207 CA8 0.434211 0.806122
208 139 0.433824 0.848837
209 8PZ 0.433071 0.744681
210 ATP A A A 0.433071 0.807229
211 ATP A 0.433071 0.807229
212 EP4 0.432692 0.717647
213 ETB 0.432624 0.853933
214 MCD 0.432432 0.909091
215 6MZ 0.432432 0.807229
216 P1H 0.432432 0.850575
217 6AD 0.432203 0.775281
218 9K8 0.432 0.704082
219 5CD 0.431373 0.698795
220 PAP 0.431034 0.807229
221 ZID 0.430556 0.821429
222 RAB 0.43 0.731707
223 ADN 0.43 0.731707
224 XYA 0.43 0.731707
225 8X1 0.429752 0.776596
226 A4P 0.42963 0.782609
227 M2T 0.428571 0.681818
228 CAO 0.427586 0.877778
229 4YB 0.427481 0.765957
230 SAH 0.42735 0.771084
231 SCD 0.426667 0.930233
232 COA 0.426573 0.908046
233 H1Q 0.426087 0.785714
234 P5A 0.424 0.826087
235 BCO 0.423841 0.909091
236 FAM 0.421769 0.88764
237 FCX 0.421769 0.898876
238 5N5 0.421569 0.731707
239 OZP 0.421053 0.819277
240 A3S 0.421053 0.768293
241 7D5 0.420561 0.785714
242 PPS 0.420168 0.728261
243 AR6 AR6 0.419847 0.819277
244 S4M 0.419643 0.772727
245 7D3 0.419643 0.788235
246 HXC 0.419355 0.888889
247 ATR 0.418803 0.795181
248 HY8 0.41791 0.821429
249 30N 0.417808 0.831579
250 COS 0.417808 0.88764
251 0ET 0.417722 0.888889
252 A4D 0.417476 0.710843
253 7D4 0.417391 0.788235
254 MHZ 0.417391 0.804598
255 P5F 0.417178 0.804348
256 A3P 0.415929 0.817073
257 MAO 0.415929 0.804598
258 NAJ PZO 0.415493 0.764045
259 VRT 0.415254 0.817073
260 DTA 0.415094 0.705882
261 SCO 0.414966 0.930233
262 WSA 0.414815 0.752688
263 GEK 0.414634 0.764706
264 A1S 0.414474 0.88764
265 A3G 0.414414 0.780488
266 NEC 0.414414 0.731707
267 CO8 0.414013 0.888889
268 A3T 0.413793 0.756098
269 KGP 0.413333 0.806122
270 YZS 0.413333 0.806122
271 SOP 0.413333 0.88764
272 NDE 0.413333 0.811765
273 NDP 0.413043 0.784091
274 HDC 0.4125 0.888889
275 ACO 0.412162 0.877778
276 F0P 0.411765 0.819277
277 LCV 0.411765 0.816327
278 SO5 0.411765 0.816327
279 MYA 0.411392 0.888889
280 DCC 0.411392 0.888889
281 UCC 0.411392 0.888889
282 5F9 0.411392 0.888889
283 ST9 0.411392 0.888889
284 MFK 0.411392 0.888889
285 DZD 0.411348 0.858824
286 MTA 0.411215 0.714286
287 A3N 0.410714 0.705882
288 1VU 0.410596 0.898876
289 MRR 0.409938 0.888889
290 MRS 0.409938 0.888889
291 NO7 0.409836 0.811765
292 A2R 0.409836 0.831325
293 01K 0.409639 0.88764
294 2MC 0.407895 0.849462
295 B1U 0.407692 0.673267
296 NVA 2AD 0.40678 0.807229
297 3KK 0.406667 0.88764
298 FYN 0.406667 0.908046
299 KGA 0.406452 0.842105
300 3CP 0.406452 0.909091
301 KB1 0.40625 0.747126
302 3HC 0.405229 0.897727
303 IVC 0.405229 0.897727
304 ITT 0.405172 0.77381
305 649 0.404412 0.787234
306 AMP NAD 0.404255 0.831325
307 NAJ PYZ 0.40411 0.731183
308 COK 0.403974 0.88764
309 OXK 0.403974 0.909091
310 NHW 0.403727 0.888889
311 UOQ 0.403727 0.888889
312 NHM 0.403727 0.888889
313 A2P 0.403509 0.804878
314 HZ2 0.402985 0.821429
315 COO 0.402597 0.88764
316 FNK 0.402516 0.806452
317 3NZ 0.401575 0.764706
318 8Q2 0.40146 0.721649
319 CO6 0.401316 0.88764
320 CMC 0.401316 0.909091
321 GRA 0.401274 0.909091
322 KOY 0.4 0.761905
323 YXR 0.4 0.806122
324 3AM 0.4 0.804878
325 2CP 0.4 0.898876
326 YXS 0.4 0.806122
327 MC4 0.4 0.840426
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6AAD; Ligand: 9TU; Similar sites found with APoc: 17
This union binding pocket(no: 1) in the query (biounit: 6aad.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
1 1X54 4AD 7.29927
2 2XGT NSS 9.12409
3 2XGT NSS 9.12409
4 6AGT 9X0 14.9635
5 6AGT 9X0 14.9635
6 3G1Z AMP 16.7883
7 3G1Z AMP 16.7883
8 3A5Y KAA 17.1533
9 3A5Y KAA 17.1533
10 3A5Z KAA 17.1533
11 3A5Z KAA 17.1533
12 3REU ATP 17.5182
13 3REU ATP 17.5182
14 3NEM ATP 18.2482
15 3NEM AMO 18.2482
16 3E9I XAH 22.2628
17 3E9I XAH 22.2628
Pocket No.: 2; Query (leader) PDB : 6AAD; Ligand: 9TU; 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: 6aad.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6AAD; Ligand: ATP; Similar sites found with APoc: 17
This union binding pocket(no: 3) in the query (biounit: 6aad.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
1 1X54 4AD 7.29927
2 2XGT NSS 9.12409
3 2XGT NSS 9.12409
4 6AGT 9X0 14.9635
5 6AGT 9X0 14.9635
6 3G1Z AMP 16.7883
7 3G1Z AMP 16.7883
8 3A5Y KAA 17.1533
9 3A5Y KAA 17.1533
10 3A5Z KAA 17.1533
11 3A5Z KAA 17.1533
12 3REU ATP 17.5182
13 3REU ATP 17.5182
14 3NEM ATP 18.2482
15 3NEM AMO 18.2482
16 3E9I XAH 22.2628
17 3E9I XAH 22.2628
Pocket No.: 4; Query (leader) PDB : 6AAD; Ligand: ATP; 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: 6aad.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
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