Receptor
PDB id Resolution Class Description Source Keywords
4CH6 2.05 Å EC: 6.1.1.26 STRUCTURE OF PYRROLYSYL-TRNA SYNTHETASE IN COMPLEX WITH ADENYLATED PROPARGYLOXYCARBONYL 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)...
YLA A:500;
Valid;
none;
submit data
557.451 C20 H28 N7 O10 P C#CCO...
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: YLA; Similar ligands found: 250
No: Ligand ECFP6 Tc MDL keys Tc
1 YLA 1 1
2 AYB 0.825688 0.940476
3 YLP 0.777778 0.928571
4 YLB 0.756757 0.928571
5 YLC 0.756757 0.951219
6 N0B 0.756303 0.97561
7 LAD 0.740385 0.950617
8 YLY 0.702479 0.917647
9 SRP 0.673077 0.901235
10 ME8 0.654545 0.83908
11 AMO 0.648148 0.878049
12 NB8 0.63964 0.847059
13 5AL 0.638095 0.853659
14 CA0 0.61165 0.865854
15 8LH 0.611111 0.855422
16 8QN 0.609091 0.853659
17 FA5 0.608696 0.878049
18 4AD 0.603604 0.86747
19 KG4 0.590476 0.843373
20 PAJ 0.589286 0.816092
21 8LQ 0.585586 0.855422
22 PTJ 0.582609 0.804598
23 XAH 0.576271 0.904762
24 QA7 0.571429 0.823529
25 TXA 0.568965 0.855422
26 TYM 0.564516 0.878049
27 8LE 0.563636 0.823529
28 A2D 0.563107 0.819277
29 F2R 0.5625 0.883721
30 AN2 0.556604 0.809524
31 AHX 0.556522 0.847059
32 DLL 0.556522 0.853659
33 OOB 0.552632 0.853659
34 BA3 0.552381 0.819277
35 M33 0.551402 0.809524
36 AP5 0.54717 0.819277
37 B4P 0.54717 0.819277
38 ADP 0.54717 0.819277
39 B5V 0.547009 0.833333
40 WAQ 0.547009 0.925926
41 00A 0.543103 0.813953
42 AT4 0.542056 0.790698
43 PRX 0.541284 0.821429
44 ANP 0.540541 0.8
45 IOT 0.539062 0.917647
46 3UK 0.538462 0.843373
47 AU1 0.537037 0.8
48 ADX 0.537037 0.747253
49 A 0.533981 0.817073
50 AMP 0.533981 0.817073
51 45A 0.533333 0.797619
52 ABM 0.533333 0.797619
53 9SN 0.533333 0.804598
54 50T 0.53211 0.788235
55 HEJ 0.53211 0.819277
56 ATP 0.53211 0.819277
57 ACP 0.53211 0.821429
58 1ZZ 0.529412 0.860465
59 5FA 0.527273 0.819277
60 AQP 0.527273 0.819277
61 APR 0.527273 0.841463
62 AR6 0.527273 0.841463
63 9ZA 0.525862 0.813953
64 9ZD 0.525862 0.813953
65 ARG AMP 0.524194 0.872093
66 AD9 0.522523 0.8
67 AGS 0.522523 0.781609
68 V2G 0.522124 0.891566
69 A1R 0.521368 0.902439
70 PR8 0.521008 0.962963
71 DAL AMP 0.517241 0.831325
72 FYA 0.516667 0.853659
73 B5Y 0.516393 0.823529
74 AMP MG 0.514286 0.804878
75 ACQ 0.513274 0.821429
76 5SV 0.512821 0.825581
77 AP2 0.509259 0.833333
78 A12 0.509259 0.833333
79 ATF 0.504348 0.790698
80 3OD 0.504132 0.843373
81 B5M 0.504065 0.823529
82 SON 0.5 0.878049
83 SRA 0.5 0.77907
84 6YZ 0.5 0.821429
85 4UU 0.5 0.845238
86 OAD 0.5 0.843373
87 OZV 0.5 0.819277
88 GAP 0.5 0.865854
89 NAI 0.496124 0.813953
90 4UV 0.496 0.845238
91 ADQ 0.495798 0.843373
92 HQG 0.495726 0.831325
93 AOC 0.495327 0.756098
94 LAQ 0.492188 0.860465
95 JNT 0.491667 0.865854
96 A22 0.491525 0.809524
97 9X8 0.487603 0.802326
98 25A 0.487395 0.819277
99 T99 0.486957 0.790698
100 TAT 0.486957 0.790698
101 APC 0.486726 0.833333
102 ADP MG 0.486486 0.817073
103 ADP BEF 0.486486 0.817073
104 4UW 0.484615 0.816092
105 KAA 0.483607 0.815217
106 A3R 0.483333 0.902439
107 RBY 0.482456 0.855422
108 ADV 0.482456 0.855422
109 80F 0.481752 0.820225
110 G3A 0.480315 0.784091
111 BIS 0.479675 0.813953
112 MAP 0.478992 0.781609
113 ANP MG 0.478632 0.809524
114 AFH 0.476562 0.816092
115 G5P 0.476562 0.784091
116 7MD 0.476562 0.927711
117 TXD 0.473282 0.857143
118 DQV 0.472868 0.831325
119 M24 0.471429 0.786517
120 ADP PO3 0.469565 0.817073
121 ATP MG 0.469565 0.817073
122 APC MG 0.469565 0.819277
123 COD 0.467153 0.875
124 VO4 ADP 0.466102 0.8
125 48N 0.465649 0.825581
126 BEF ADP 0.465517 0.797619
127 MYR AMP 0.464 0.83908
128 25L 0.464 0.809524
129 BT5 0.463768 0.873563
130 SSA 0.462185 0.763441
131 NAX 0.462121 0.848837
132 DND 0.462121 0.833333
133 GJV 0.459459 0.755814
134 6RE 0.458716 0.744186
135 OMR 0.458647 0.850575
136 TXE 0.458647 0.857143
137 D4F 0.457746 0.797753
138 KMQ 0.456693 0.833333
139 JB6 0.456 0.835294
140 ADJ 0.455882 0.872093
141 AP0 0.455224 0.784091
142 5CA 0.454545 0.763441
143 53H 0.454545 0.708333
144 TSB 0.454545 0.723404
145 GA7 0.453846 0.811765
146 A5A 0.453782 0.731183
147 ALF ADP 0.453782 0.761364
148 KYE 0.453125 0.802326
149 6V0 0.451128 0.825581
150 A3N 0.45045 0.746988
151 J7C 0.45045 0.752941
152 GTA 0.450382 0.758242
153 AMP DBH 0.449612 0.77907
154 LMS 0.449541 0.728261
155 GSU 0.448 0.782609
156 DSZ 0.447154 0.763441
157 LSS 0.447154 0.729167
158 VMS 0.446281 0.715789
159 NO7 0.446281 0.855422
160 54H 0.446281 0.715789
161 L3W 0.444444 0.833333
162 G5A 0.440678 0.782609
163 SAI 0.440678 0.761905
164 ADP BMA 0.44 0.821429
165 SFG 0.439655 0.777778
166 TAD 0.439394 0.816092
167 5AS 0.438596 0.744681
168 SMM 0.438017 0.714286
169 AF3 ADP 3PG 0.437037 0.795455
170 ALF ADP 3PG 0.437037 0.795455
171 J4G 0.436508 0.890244
172 BTX 0.435714 0.862069
173 NAQ 0.434483 0.784091
174 52H 0.434426 0.708333
175 7MC 0.433824 0.905882
176 8Q2 0.433824 0.757895
177 LPA AMP 0.432836 0.83908
178 SA8 0.432203 0.755814
179 NVA LMS 0.432 0.739583
180 CNA 0.431655 0.833333
181 8X1 0.430894 0.776596
182 YSA 0.430769 0.744681
183 A4P 0.430657 0.802198
184 UP5 0.42963 0.823529
185 K15 0.428571 0.770115
186 LEU LMS 0.428571 0.71875
187 KXW 0.428571 0.819277
188 FB0 0.427632 0.846154
189 NAE 0.427586 0.802326
190 5X8 0.42735 0.746988
191 EAD 0.425676 0.806818
192 NAD 0.425532 0.831325
193 AHZ 0.425373 0.777778
194 P5A 0.425197 0.826087
195 T5A 0.42446 0.840909
196 0UM 0.424 0.809524
197 NSS 0.424 0.744681
198 NDE 0.423841 0.811765
199 2A5 0.423729 0.843373
200 4TC 0.423358 0.825581
201 UPA 0.423358 0.835294
202 ZID 0.421769 0.821429
203 EEM 0.421488 0.719101
204 62X 0.420635 0.752809
205 PAP 0.420168 0.807229
206 A3D 0.41958 0.821429
207 5CD 0.419048 0.698795
208 RAB 0.417476 0.731707
209 ADN 0.417476 0.731707
210 XYA 0.417476 0.731707
211 SAH 0.416667 0.771084
212 NAJ PZO 0.416667 0.784091
213 0WD 0.415493 0.804598
214 S7M 0.414634 0.719101
215 139 0.414286 0.870588
216 SAM 0.413223 0.719101
217 KYB 0.412698 0.77907
218 ATP A A A 0.412214 0.807229
219 ATP A 0.412214 0.807229
220 8PZ 0.412214 0.744681
221 9K8 0.410853 0.67
222 A3S 0.410256 0.768293
223 PPS 0.409836 0.728261
224 5N5 0.409524 0.731707
225 7D5 0.409091 0.785714
226 NDC 0.409091 0.869048
227 7D3 0.408696 0.788235
228 ATR 0.408333 0.795181
229 KY2 0.408 0.77907
230 EP4 0.407407 0.678161
231 KH3 0.407407 0.781609
232 7D4 0.40678 0.788235
233 WSA 0.405797 0.752688
234 A4D 0.40566 0.710843
235 AMP NAD 0.405594 0.831325
236 3DH 0.405405 0.674419
237 NAJ PYZ 0.405405 0.75
238 P1H 0.405229 0.808989
239 A3P 0.405172 0.817073
240 DTA 0.40367 0.705882
241 H1Q 0.403361 0.785714
242 V47 0.403226 0.743902
243 NAD IBO 0.402878 0.819277
244 NAD TDB 0.402878 0.819277
245 DZD 0.402778 0.858824
246 6IA 0.401639 0.816092
247 OZP 0.40146 0.819277
248 AR6 AR6 0.4 0.819277
249 A2R 0.4 0.831325
250 MTA 0.4 0.674419
Similar Ligands (3D)
Ligand no: 1; Ligand: YLA; 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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