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
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 (40)
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 6LY6 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
4 6LYB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 6LY7 - TRF C12 H12 N2 O3 c1ccc2c(c1....
7 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
8 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
9 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
10 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
11 6AAQ Kd = 3.9 mM 9U9 C17 H26 N2 O4 C1C[C@@H]2....
12 6AAO Kd = 7.8 mM 9U0 C15 H26 N2 O4 C1CCC=CC(C....
13 6AAP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
15 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
16 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
17 6AB2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
19 6ABM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
21 4CS3 - AMP LYS FU0 n/a n/a
22 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
23 6AAN Kd = 1.76 mM 9TX C16 H20 N2 O4 C#Cc1cccc(....
24 6LY3 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
26 6AB1 - 9V0 C14 H19 N5 O4 c1ccc(c(c1....
27 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
28 6ABK Kd = 11.3 mM 9VF C11 H24 N2 O4 Si C[Si](C)(C....
29 6AAC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
30 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
31 6AB0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
32 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
33 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
34 6AAD Kd = 1.62 mM 9TU C16 H19 F3 N4 O4 c1cc(cc(c1....
35 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
36 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
37 2ZCE - PYL C12 H21 N3 O3 C[C@@H]1CC....
38 6AAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
39 6AB8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
40 6LYA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (40)
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 6LY6 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
4 6LYB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 6LY7 - TRF C12 H12 N2 O3 c1ccc2c(c1....
7 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
8 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
9 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
10 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
11 6AAQ Kd = 3.9 mM 9U9 C17 H26 N2 O4 C1C[C@@H]2....
12 6AAO Kd = 7.8 mM 9U0 C15 H26 N2 O4 C1CCC=CC(C....
13 6AAP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
15 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
16 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
17 6AB2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
19 6ABM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
21 4CS3 - AMP LYS FU0 n/a n/a
22 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
23 6AAN Kd = 1.76 mM 9TX C16 H20 N2 O4 C#Cc1cccc(....
24 6LY3 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
26 6AB1 - 9V0 C14 H19 N5 O4 c1ccc(c(c1....
27 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
28 6ABK Kd = 11.3 mM 9VF C11 H24 N2 O4 Si C[Si](C)(C....
29 6AAC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
30 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
31 6AB0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
32 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
33 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
34 6AAD Kd = 1.62 mM 9TU C16 H19 F3 N4 O4 c1cc(cc(c1....
35 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
36 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
37 2ZCE - PYL C12 H21 N3 O3 C[C@@H]1CC....
38 6AAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
39 6AB8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
40 6LYA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (40)
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 6LY6 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
4 6LYB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 6LY7 - TRF C12 H12 N2 O3 c1ccc2c(c1....
7 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
8 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
9 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
10 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
11 6AAQ Kd = 3.9 mM 9U9 C17 H26 N2 O4 C1C[C@@H]2....
12 6AAO Kd = 7.8 mM 9U0 C15 H26 N2 O4 C1CCC=CC(C....
13 6AAP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
15 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
16 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
17 6AB2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
19 6ABM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
21 4CS3 - AMP LYS FU0 n/a n/a
22 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
23 6AAN Kd = 1.76 mM 9TX C16 H20 N2 O4 C#Cc1cccc(....
24 6LY3 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
26 6AB1 - 9V0 C14 H19 N5 O4 c1ccc(c(c1....
27 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
28 6ABK Kd = 11.3 mM 9VF C11 H24 N2 O4 Si C[Si](C)(C....
29 6AAC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
30 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
31 6AB0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
32 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
33 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
34 6AAD Kd = 1.62 mM 9TU C16 H19 F3 N4 O4 c1cc(cc(c1....
35 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
36 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
37 2ZCE - PYL C12 H21 N3 O3 C[C@@H]1CC....
38 6AAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
39 6AB8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
40 6LYA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: YLC; Similar ligands found: 280
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 8LH 0.644231 0.9
15 8QN 0.641509 0.898734
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 QA7 0.616822 0.865854
21 KG4 0.607843 0.864198
22 8LQ 0.601852 0.9
23 PTJ 0.598214 0.845238
24 8LE 0.59434 0.865854
25 XAH 0.591304 0.926829
26 F2R 0.58871 0.904762
27 AN2 0.588235 0.829268
28 M33 0.582524 0.851852
29 A2D 0.58 0.839506
30 TYM 0.578512 0.9
31 DLL 0.571429 0.875
32 PRX 0.571429 0.841463
33 AHX 0.571429 0.86747
34 TXA 0.570175 0.876543
35 BA3 0.568627 0.839506
36 ADX 0.567308 0.764045
37 IOT 0.564516 0.916667
38 45A 0.564356 0.839506
39 ABM 0.564356 0.839506
40 ADP 0.563107 0.839506
41 AP5 0.563107 0.839506
42 B4P 0.563107 0.839506
43 50T 0.561905 0.807229
44 WAQ 0.561404 0.925
45 AT4 0.557692 0.809524
46 1ZZ 0.556522 0.880952
47 ANP 0.555556 0.819277
48 OOB 0.553571 0.875
49 3UK 0.552632 0.864198
50 4UU 0.55 0.865854
51 AMP 0.55 0.8375
52 A 0.55 0.8375
53 B5V 0.547826 0.853659
54 HEJ 0.54717 0.839506
55 ATP 0.54717 0.839506
56 ACP 0.54717 0.841463
57 9SN 0.547009 0.823529
58 4UV 0.546219 0.865854
59 00A 0.54386 0.833333
60 B5Y 0.542373 0.865854
61 5FA 0.542056 0.839506
62 AQP 0.542056 0.839506
63 APR 0.542056 0.8625
64 AR6 0.542056 0.8625
65 9ZD 0.539823 0.855422
66 9ZA 0.539823 0.855422
67 5SV 0.539823 0.845238
68 AU1 0.537736 0.819277
69 ARG AMP 0.53719 0.892857
70 AD9 0.537037 0.819277
71 AGS 0.537037 0.8
72 A1R 0.535088 0.901235
73 PR8 0.534483 0.9625
74 4UW 0.532258 0.857143
75 DAL AMP 0.530973 0.875
76 FYA 0.529915 0.851852
77 3OD 0.529915 0.8875
78 AMP MG 0.529412 0.825
79 B5M 0.529412 0.865854
80 ACQ 0.527273 0.841463
81 OAD 0.525862 0.8875
82 A12 0.52381 0.853659
83 AP2 0.52381 0.853659
84 V2G 0.522523 0.890244
85 ATF 0.517857 0.809524
86 KMQ 0.516667 0.876543
87 SRA 0.514563 0.797619
88 SON 0.514019 0.9
89 GAP 0.513514 0.8875
90 6YZ 0.513274 0.841463
91 9X8 0.512821 0.843373
92 48N 0.512 0.86747
93 HQG 0.508772 0.851852
94 NAI 0.507937 0.833333
95 ANP MG 0.504425 0.829268
96 A22 0.504348 0.829268
97 JNT 0.504274 0.864198
98 LAQ 0.504 0.858824
99 ADP BEF 0.5 0.8375
100 ADP MG 0.5 0.8375
101 OZV 0.5 0.839506
102 25A 0.5 0.839506
103 TAT 0.5 0.809524
104 T99 0.5 0.809524
105 APC 0.5 0.853659
106 KAA 0.495798 0.833333
107 ADQ 0.495726 0.864198
108 A3R 0.495726 0.901235
109 RBY 0.495495 0.876543
110 ADV 0.495495 0.876543
111 G3A 0.491935 0.802326
112 BIS 0.491667 0.833333
113 MAP 0.491379 0.8
114 COD 0.488722 0.895349
115 AP0 0.488372 0.823529
116 7MD 0.488 0.926829
117 G5P 0.488 0.802326
118 KYE 0.487805 0.8
119 MYR AMP 0.487603 0.858824
120 ATP MG 0.482143 0.8375
121 ADP PO3 0.482143 0.8375
122 APC MG 0.482143 0.839506
123 80F 0.481481 0.83908
124 OMR 0.48062 0.870588
125 TSB 0.478632 0.758242
126 A5A 0.478261 0.766667
127 VO4 ADP 0.478261 0.819277
128 BEF ADP 0.477876 0.817073
129 GA7 0.47619 0.853659
130 AFH 0.47619 0.835294
131 25L 0.47541 0.829268
132 SSA 0.474138 0.78022
133 BT5 0.474074 0.872093
134 NAX 0.472868 0.869048
135 TXD 0.472868 0.855422
136 DQV 0.472441 0.851852
137 GTA 0.472441 0.795455
138 GJV 0.472222 0.77381
139 6RE 0.471698 0.761905
140 M24 0.471014 0.804598
141 LSS 0.470588 0.763441
142 VMS 0.470085 0.75
143 54H 0.470085 0.75
144 TXE 0.469231 0.855422
145 SA8 0.469027 0.795181
146 JB6 0.467213 0.833333
147 5CA 0.466102 0.78022
148 53H 0.466102 0.741935
149 L3W 0.465649 0.853659
150 ALF ADP 0.465517 0.77907
151 5X8 0.464286 0.765432
152 5AS 0.463636 0.76087
153 J7C 0.462963 0.771084
154 K15 0.46281 0.788235
155 LMS 0.462264 0.744444
156 SMM 0.461538 0.75
157 DND 0.461538 0.853659
158 6V0 0.461538 0.845238
159 S7M 0.461538 0.755814
160 GSU 0.459016 0.8
161 DSZ 0.458333 0.78022
162 52H 0.457627 0.741935
163 EEM 0.456897 0.755814
164 7MC 0.454545 0.927711
165 NVA LMS 0.454545 0.774194
166 62X 0.454545 0.770115
167 YSA 0.452381 0.76087
168 G5A 0.452174 0.8
169 SAI 0.452174 0.780488
170 CNA 0.451852 0.853659
171 SFG 0.451327 0.797468
172 LEU LMS 0.45082 0.752688
173 TAD 0.449612 0.835294
174 AMP DBH 0.448819 0.797619
175 J4G 0.447154 0.9125
176 ALF ADP 3PG 0.44697 0.813953
177 D4F 0.446809 0.816092
178 0UM 0.446281 0.829268
179 FB0 0.445946 0.865169
180 BTX 0.445255 0.860465
181 T5A 0.444444 0.860465
182 ADJ 0.444444 0.870588
183 NAQ 0.443662 0.823529
184 LPA AMP 0.442748 0.837209
185 AOC 0.440367 0.753086
186 SAH 0.439655 0.790123
187 UP5 0.439394 0.843373
188 ADP BMA 0.439024 0.841463
189 A3D 0.438849 0.864198
190 KXW 0.438462 0.817073
191 KH3 0.438462 0.8
192 NAE 0.43662 0.843373
193 AF3 ADP 3PG 0.43609 0.813953
194 SAM 0.435897 0.755814
195 5N5 0.435644 0.75
196 AHZ 0.435115 0.816092
197 NAD 0.434783 0.851852
198 2A5 0.434783 0.841463
199 EAD 0.434483 0.847059
200 KYB 0.434426 0.776471
201 NSS 0.434426 0.76087
202 ATP A A A 0.433071 0.82716
203 ATP A 0.433071 0.82716
204 UPA 0.432836 0.855422
205 4TC 0.432836 0.845238
206 EP4 0.432692 0.714286
207 6MZ 0.432432 0.82716
208 PPS 0.432203 0.744444
209 5CD 0.431373 0.716049
210 PAP 0.431034 0.82716
211 RAB 0.43 0.75
212 ADN 0.43 0.75
213 XYA 0.43 0.75
214 3DH 0.429907 0.710843
215 8X1 0.429752 0.793478
216 KY2 0.429752 0.776471
217 A4P 0.42963 0.820225
218 0WD 0.42446 0.823529
219 P5A 0.424 0.824176
220 6IA 0.423729 0.857143
221 139 0.423358 0.869048
222 P1H 0.422819 0.848837
223 NDE 0.422819 0.831325
224 8PZ 0.421875 0.76087
225 COO 0.421053 0.886364
226 A3S 0.421053 0.7875
227 OZP 0.421053 0.817073
228 ZID 0.42069 0.841463
229 9K8 0.420635 0.701031
230 7D5 0.420561 0.804878
231 6AD 0.420168 0.793103
232 AR6 AR6 0.419847 0.839506
233 7D3 0.419643 0.807229
234 ARU 0.419355 0.772727
235 ATR 0.418803 0.814815
236 B1U 0.418605 0.686869
237 HY8 0.41791 0.819277
238 A4D 0.417476 0.728395
239 ITT 0.417391 0.792683
240 MHZ 0.417391 0.781609
241 7D4 0.417391 0.807229
242 A3P 0.415929 0.8375
243 NAJ PZO 0.415493 0.802326
244 M2T 0.415094 0.678161
245 DTA 0.415094 0.722892
246 WSA 0.414815 0.769231
247 A3T 0.413793 0.775
248 NAJ PYZ 0.413793 0.766667
249 H1Q 0.413793 0.804878
250 HZ2 0.413534 0.819277
251 ETB 0.412587 0.852273
252 NAD IBO 0.411765 0.839506
253 NAD TDB 0.411765 0.839506
254 F0P 0.411765 0.817073
255 DZD 0.411348 0.857143
256 MTA 0.411215 0.710843
257 A3N 0.410714 0.743902
258 A2R 0.409836 0.851852
259 NO7 0.409836 0.853659
260 P5F 0.408537 0.822222
261 AMX 0.408163 0.895349
262 S4M 0.40708 0.75
263 KB1 0.40625 0.764706
264 CMX 0.405405 0.906977
265 AMP NAD 0.404255 0.851852
266 CA6 0.403974 0.785714
267 A2P 0.403509 0.825
268 MAO 0.403509 0.802326
269 VRT 0.403361 0.792683
270 GEK 0.403226 0.783133
271 NDP 0.402878 0.823529
272 DCA 0.402778 0.863636
273 CO7 0.402597 0.886364
274 A3G 0.401786 0.8
275 NEC 0.401786 0.728395
276 3NZ 0.401575 0.783133
277 NMX 0.401316 0.819149
278 V3L 0.4 0.8625
279 3AM 0.4 0.825
280 HAX 0.4 0.865169
Similar Ligands (3D)
Ligand no: 1; Ligand: YLC; Similar ligands found: 0
No: Ligand Similarity coefficient
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: 16
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 3G1Z AMP 16.7883
6 3G1Z AMP 16.7883
7 3A5Y KAA 17.1533
8 3A5Y KAA 17.1533
9 3A5Z KAA 17.1533
10 3A5Z KAA 17.1533
11 3REU ATP 17.5182
12 3REU ATP 17.5182
13 3NEM ATP 18.2482
14 3NEM AMO 18.2482
15 3E9I XAH 22.2628
16 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: 16
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 3G1Z AMP 16.7883
6 3G1Z AMP 16.7883
7 3A5Y KAA 17.1533
8 3A5Y KAA 17.1533
9 3A5Z KAA 17.1533
10 3A5Z KAA 17.1533
11 3REU ATP 17.5182
12 3REU ATP 17.5182
13 3NEM ATP 18.2482
14 3NEM AMO 18.2482
15 3E9I XAH 22.2628
16 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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