Receptor
PDB id Resolution Class Description Source Keywords
2ZIO 2.06 Å EC: 6.1.1.26 CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF PYRROLYSYL- TRNA SYNTHETASE IN COMPLEX WITH ALOCLYS-AMP AND PNP METHANOSARCINA MAZEI AMINOACYL-TRNA SYNTHETASE PYRROLYSYL-TRNA SYNTHETASE TRNAPYRROLYSINE ATP ANALOGUE NON-NATURAL AMINO ACID UNNATURAL AMINO ACID ATP-BINDING CYTOPLASM LIGASE NUCLEOTIDE-BINDING PROTEIN BIOSYNTHESIS STRUCTURAL GENOMICS NPPSFA NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: MULTISTEP ENGINEERING OF PYRROLYSYL-TRNA SYNTHETASE TO GENETICALLY ENCODE N(VAREPSILON)-(O-AZIDOBENZYLOXYCARBONYL) LYSINE FOR SITE-SPECIFIC PROTEIN MODIFICATION CHEM.BIOL. V. 15 1187 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2PN A:1;
 Valid;
 none;
 submit data
176.99 H5 N O6 P2 N(P(=...
AYB A:601;
 Valid;
 none;
 submit data
561.483 C20 H32 N7 O10 P CCCOC...
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: 2PN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 2PN 1 1
2 PPK 0.473684 0.9
Ligand no: 2; Ligand: AYB; Similar ligands found: 260
No: Ligand ECFP6 Tc MDL keys Tc
1 AYB 1 1
2 YLA 0.825688 0.940476
3 YLP 0.803738 0.963855
4 YLB 0.798165 0.987805
5 YLC 0.765766 0.939759
6 LAD 0.75 0.939024
7 N0B 0.75 0.940476
8 YLY 0.710744 0.952381
9 SRP 0.666667 0.890244
10 ME8 0.663636 0.872093
11 5AL 0.647619 0.865854
12 AMO 0.642202 0.86747
13 NB8 0.633929 0.837209
14 8LH 0.62037 0.890244
15 8QN 0.618182 0.865854
16 4AD 0.612613 0.857143
17 PRX 0.609524 0.878049
18 CA0 0.605769 0.855422
19 FA5 0.603448 0.86747
20 PAJ 0.598214 0.848837
21 8LQ 0.594595 0.890244
22 QA7 0.594595 0.857143
23 KG4 0.584906 0.833333
24 XAH 0.584746 0.894118
25 PTJ 0.577586 0.837209
26 8LE 0.572727 0.835294
27 TYM 0.572581 0.86747
28 F2R 0.570312 0.873563
29 1ZZ 0.564103 0.916667
30 TXA 0.564103 0.86747
31 5SV 0.561404 0.880952
32 M33 0.560748 0.821429
33 A2D 0.557692 0.809524
34 WAQ 0.555556 0.914634
35 DLL 0.551724 0.843373
36 AHX 0.551724 0.837209
37 AN2 0.551402 0.8
38 BA3 0.54717 0.809524
39 IOT 0.546875 0.906977
40 ABM 0.542857 0.809524
41 45A 0.542857 0.809524
42 ADP 0.542056 0.809524
43 B4P 0.542056 0.809524
44 AP5 0.542056 0.809524
45 AT4 0.537037 0.781609
46 AR6 0.536364 0.831325
47 APR 0.536364 0.831325
48 ANP 0.535714 0.790698
49 OOB 0.534483 0.843373
50 3UK 0.533898 0.833333
51 ARG AMP 0.532258 0.862069
52 ADX 0.53211 0.73913
53 B5V 0.529412 0.823529
54 9SN 0.528926 0.795455
55 A 0.528846 0.807229
56 AMP 0.528846 0.807229
57 ATP 0.527273 0.809524
58 50T 0.527273 0.77907
59 ACP 0.527273 0.811765
60 HEJ 0.527273 0.809524
61 DAL AMP 0.525862 0.843373
62 00A 0.525424 0.804598
63 B5Y 0.52459 0.835294
64 AQP 0.522523 0.809524
65 5FA 0.522523 0.809524
66 9ZD 0.521368 0.825581
67 9ZA 0.521368 0.825581
68 AU1 0.518182 0.790698
69 AGS 0.517857 0.772727
70 AD9 0.517857 0.790698
71 A1R 0.516949 0.891566
72 PR8 0.516667 0.951219
73 3OD 0.512397 0.855422
74 FYA 0.512397 0.843373
75 B5M 0.512195 0.835294
76 AMP MG 0.509434 0.795181
77 ACQ 0.508772 0.811765
78 OAD 0.508333 0.855422
79 A12 0.504587 0.823529
80 AP2 0.504587 0.823529
81 V2G 0.504348 0.880952
82 ATF 0.5 0.781609
83 4UU 0.496063 0.813953
84 7MD 0.496063 0.916667
85 MYR AMP 0.495935 0.894118
86 9X8 0.495868 0.813953
87 OZV 0.495798 0.809524
88 6YZ 0.495726 0.811765
89 GAP 0.495652 0.855422
90 T99 0.495652 0.781609
91 TAT 0.495652 0.781609
92 SON 0.495495 0.86747
93 SRA 0.495327 0.770115
94 NAI 0.492308 0.784091
95 4UW 0.492308 0.806818
96 4UV 0.492063 0.813953
97 KAA 0.491803 0.806452
98 HQG 0.491525 0.821429
99 RBY 0.491228 0.845238
100 ADV 0.491228 0.845238
101 OMR 0.48855 0.905882
102 LAQ 0.488372 0.850575
103 BIS 0.487805 0.804598
104 JNT 0.487603 0.855422
105 A22 0.487395 0.8
106 ANP MG 0.487179 0.8
107 25A 0.483333 0.809524
108 APC 0.482456 0.823529
109 ADP BEF 0.482143 0.807229
110 ADP MG 0.482143 0.807229
111 DQV 0.48062 0.821429
112 A3R 0.479339 0.891566
113 ADQ 0.479339 0.833333
114 80F 0.478261 0.791209
115 G3A 0.476562 0.775281
116 JB6 0.475806 0.825581
117 MAP 0.475 0.772727
118 COD 0.474453 0.908046
119 AP0 0.473684 0.775281
120 7MC 0.473684 0.917647
121 48N 0.473282 0.837209
122 G5P 0.472868 0.775281
123 BT5 0.471014 0.863636
124 NAX 0.469697 0.818182
125 TXD 0.469697 0.825581
126 TXE 0.466165 0.825581
127 APC MG 0.465517 0.809524
128 ADP PO3 0.465517 0.807229
129 ATP MG 0.465517 0.807229
130 KMQ 0.464567 0.823529
131 NVA LMS 0.463415 0.787234
132 53H 0.46281 0.71875
133 TSB 0.46281 0.734043
134 A5A 0.462185 0.741935
135 VO4 ADP 0.462185 0.790698
136 BEF ADP 0.461538 0.788235
137 AFH 0.461538 0.806818
138 GA7 0.461538 0.845238
139 25L 0.460317 0.8
140 5AS 0.460177 0.774194
141 K15 0.459677 0.823529
142 J7C 0.459459 0.744186
143 SSA 0.458333 0.755319
144 GTA 0.458015 0.769231
145 M24 0.457746 0.777778
146 GJV 0.455357 0.747126
147 LSS 0.455285 0.757895
148 6RE 0.454545 0.735632
149 VMS 0.454545 0.726316
150 54H 0.454545 0.726316
151 L3W 0.451852 0.802326
152 5CA 0.45082 0.755319
153 ALF ADP 0.45 0.752809
154 KYE 0.449612 0.793103
155 LEU LMS 0.448 0.747368
156 6V0 0.447761 0.795455
157 UP5 0.447761 0.793103
158 DND 0.447761 0.823529
159 SMM 0.446281 0.744444
160 LMS 0.445455 0.72043
161 D4F 0.444444 0.788889
162 GSU 0.444444 0.774194
163 FB0 0.443709 0.877778
164 0UM 0.443548 0.865854
165 DSZ 0.443548 0.755319
166 BTX 0.442857 0.852273
167 52H 0.442623 0.71875
168 ADJ 0.442029 0.840909
169 NAQ 0.441379 0.816092
170 4TC 0.441176 0.795455
171 9K8 0.440945 0.69697
172 SA8 0.440678 0.788235
173 CNA 0.438849 0.823529
174 G5A 0.436975 0.774194
175 TAD 0.43609 0.806818
176 KH3 0.43609 0.835294
177 KXW 0.43609 0.809524
178 AMP DBH 0.435115 0.770115
179 NAE 0.434483 0.835294
180 S7M 0.434426 0.75
181 ALF ADP 3PG 0.433824 0.786517
182 J4G 0.433071 0.879518
183 AHZ 0.432836 0.788889
184 EAD 0.432432 0.818182
185 NSS 0.432 0.736842
186 T5A 0.431655 0.831461
187 UPA 0.430657 0.804598
188 P1H 0.430464 0.840909
189 EEM 0.429752 0.75
190 LPA AMP 0.42963 0.829545
191 62X 0.428571 0.784091
192 ARU 0.428571 0.766667
193 A4P 0.427536 0.774194
194 YSA 0.427481 0.736842
195 KY2 0.427419 0.770115
196 3DH 0.427273 0.705882
197 A3D 0.426573 0.833333
198 ADP BMA 0.425197 0.811765
199 SAI 0.425 0.752941
200 AOC 0.424779 0.705882
201 SFG 0.423729 0.768293
202 5X8 0.423729 0.738095
203 NAJ PZO 0.423611 0.755556
204 AF3 ADP 3PG 0.423358 0.786517
205 NAD 0.422535 0.821429
206 6IA 0.421488 0.848837
207 SAM 0.421488 0.75
208 139 0.421429 0.83908
209 KYB 0.420635 0.770115
210 2A5 0.420168 0.833333
211 6MZ 0.417391 0.797619
212 EP4 0.416667 0.709302
213 PAP 0.416667 0.797619
214 8X1 0.416 0.768421
215 5CD 0.415094 0.690476
216 XYA 0.413462 0.722892
217 RAB 0.413462 0.722892
218 ADN 0.413462 0.722892
219 SAH 0.413223 0.761905
220 WSA 0.413043 0.744681
221 0WD 0.412587 0.775281
222 NAJ PYZ 0.412162 0.723404
223 P5A 0.410853 0.817204
224 ZID 0.409396 0.811765
225 8PZ 0.409091 0.736842
226 MTA 0.409091 0.705882
227 ATP A A A 0.409091 0.797619
228 ATP A 0.409091 0.797619
229 A2R 0.408 0.821429
230 A3S 0.40678 0.759036
231 PPS 0.406504 0.72043
232 6AD 0.406504 0.766667
233 CAJ 0.406452 0.920455
234 HY8 0.405797 0.811765
235 5N5 0.40566 0.722892
236 0T1 0.405405 0.91954
237 7D5 0.405405 0.776471
238 7D3 0.405172 0.77907
239 S4M 0.405172 0.764045
240 ATR 0.404959 0.785714
241 MHZ 0.403361 0.795455
242 7D4 0.403361 0.77907
243 AMP NAD 0.402778 0.821429
244 NDE 0.402597 0.802326
245 A4D 0.401869 0.702381
246 A3P 0.401709 0.807229
247 MAO 0.401709 0.795455
248 VRT 0.401639 0.807229
249 GEK 0.401575 0.755814
250 DCA 0.401361 0.897727
251 ETB 0.401361 0.844444
252 BVT 0.40107 0.860215
253 M2T 0.4 0.674157
254 A3T 0.4 0.746988
255 NAD IBO 0.4 0.809524
256 DZD 0.4 0.848837
257 H1Q 0.4 0.776471
258 NAD TDB 0.4 0.809524
259 NEC 0.4 0.722892
260 DTA 0.4 0.697674
Similar Ligands (3D)
Ligand no: 1; Ligand: 2PN; Similar ligands found: 181
No: Ligand Similarity coefficient
1 POP 0.9993
2 MDN 0.9982
3 PPV 0.9967
4 PIS 0.9951
5 MPD 0.9597
6 TB6 0.9518
7 S0H 0.9510
8 LLQ 0.9473
9 SAT 0.9429
10 1GP 0.9407
11 PAE 0.9397
12 CP 0.9392
13 FCN 0.9385
14 PCT 0.9378
15 7VD 0.9367
16 OPE 0.9366
17 PEQ 0.9294
18 0V5 0.9294
19 G2H 0.9277
20 ACH 0.9240
21 GG6 0.9235
22 4MV 0.9231
23 PEP 0.9217
24 PGA 0.9209
25 TFS 0.9179
26 PPR 0.9151
27 PAH 0.9146
28 3SL 0.9133
29 DS0 0.9132
30 G3H 0.9119
31 G3P 0.9119
32 13P 0.9113
33 PSE 0.9111
34 MLT 0.9070
35 X1S 0.9069
36 2HE 0.9048
37 2PG 0.9030
38 3PP 0.9019
39 MLA 0.9017
40 A20 0.9009
41 ASP 0.9006
42 LEU 0.9003
43 H95 0.8995
44 1DQ 0.8993
45 LMR 0.8991
46 DCL 0.8991
47 ODV 0.8991
48 3HL 0.8976
49 HX2 0.8967
50 SIN 0.8959
51 FMS 0.8954
52 MLI 0.8954
53 CHT 0.8953
54 3Q7 0.8950
55 DMG 0.8945
56 P22 0.8939
57 FUM 0.8936
58 IVA 0.8930
59 TAU 0.8926
60 911 0.8918
61 SEP 0.8905
62 MAE 0.8904
63 1SH 0.8896
64 TLA 0.8889
65 PRO 0.8888
66 MLM 0.8886
67 UY7 0.8879
68 ASN 0.8879
69 NMG 0.8879
70 COM 0.8874
71 HYP 0.8872
72 3HR 0.8871
73 GLN 0.8870
74 2RH 0.8869
75 DAS 0.8864
76 BAE 0.8863
77 ILE 0.8862
78 CYX 0.8861
79 GP9 0.8860
80 POA 0.8859
81 HDA 0.8857
82 ITN 0.8857
83 VX 0.8857
84 CMS 0.8856
85 PAF 0.8854
86 IHG 0.8853
87 8X3 0.8848
88 TEO 0.8842
89 IQ0 0.8841
90 TFB 0.8841
91 P7I 0.8841
92 SPV 0.8840
93 FLA 0.8839
94 COI 0.8839
95 EFS 0.8836
96 XPO 0.8829
97 9X6 0.8815
98 ICF 0.8807
99 C5J 0.8806
100 SRT 0.8800
101 XLS 0.8797
102 DMV 0.8791
103 ETM 0.8784
104 OAA 0.8782
105 AAE 0.8780
106 AT3 0.8780
107 P2D 0.8776
108 KVV 0.8776
109 CIZ 0.8775
110 KIV 0.8761
111 1DV 0.8760
112 FOA 0.8760
113 HZP 0.8759
114 3PG 0.8757
115 HV2 0.8756
116 PMB 0.8754
117 ALO 0.8754
118 URP 0.8752
119 JYD 0.8752
120 O7U 0.8749
121 CNL 0.8747
122 T2C 0.8746
123 TAR 0.8744
124 THR 0.8740
125 BTL 0.8738
126 3PY 0.8729
127 2CO 0.8725
128 TP5 0.8724
129 IOM 0.8722
130 FJO 0.8720
131 2PC 0.8717
132 VAL 0.8716
133 IPU 0.8714
134 PRS 0.8714
135 FB2 0.8713
136 JBN 0.8712
137 FAC 0.8710
138 DPR 0.8705
139 TMH 0.8702
140 273 0.8700
141 DQY 0.8694
142 HIS 0.8692
143 KPL 0.8691
144 98J 0.8691
145 DGL 0.8685
146 TZC 0.8681
147 I2M 0.8677
148 PYC 0.8676
149 KVP 0.8675
150 RIP 0.8675
151 MRY 0.8674
152 GLU 0.8673
153 GLY ALA 0.8672
154 IZC 0.8669
155 XUL 0.8663
156 AC5 0.8661
157 UYA 0.8660
158 PBE 0.8656
159 HIO 0.8651
160 SKG 0.8646
161 FSG 0.8646
162 ABU 0.8644
163 CRN 0.8642
164 6PC 0.8639
165 ORN 0.8632
166 SS2 0.8631
167 YCP 0.8627
168 EHM 0.8626
169 SMV 0.8624
170 SSN 0.8622
171 HCS 0.8613
172 DTL 0.8600
173 PPF 0.8579
174 7N0 0.8579
175 R67 0.8578
176 9SB 0.8576
177 AKB 0.8552
178 192 0.8550
179 M58 0.8547
180 LER 0.8540
181 3V4 0.8520
Ligand no: 2; Ligand: AYB; 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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