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 (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: YLB; Similar ligands found: 338
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 CA0 0.63 0.843373
18 FA5 0.625 0.878049
19 KG4 0.623762 0.843373
20 PAJ 0.62037 0.858824
21 PRX 0.601942 0.888889
22 8LQ 0.601852 0.901235
23 QA7 0.601852 0.86747
24 PTJ 0.598214 0.847059
25 1ZZ 0.598214 0.927711
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 AHX 0.571429 0.847059
35 DLL 0.571429 0.853659
36 TXA 0.570175 0.855422
37 BA3 0.568627 0.819277
38 5SV 0.567568 0.891566
39 AGS 0.566038 0.781609
40 ABM 0.564356 0.819277
41 45A 0.564356 0.819277
42 B4P 0.563107 0.819277
43 AP5 0.563107 0.819277
44 ADP 0.563107 0.819277
45 AT4 0.557692 0.790698
46 ANP 0.555556 0.8
47 OOB 0.553571 0.853659
48 3UK 0.552632 0.843373
49 ADX 0.552381 0.747253
50 IOT 0.552 0.917647
51 A 0.55 0.817073
52 AMP 0.55 0.817073
53 ARG AMP 0.55 0.872093
54 B5V 0.547826 0.833333
55 ATP 0.54717 0.819277
56 ACP 0.54717 0.821429
57 HEJ 0.54717 0.819277
58 50T 0.54717 0.788235
59 9SN 0.547009 0.804598
60 SRA 0.544554 0.77907
61 00A 0.54386 0.813953
62 B5Y 0.542373 0.845238
63 AQP 0.542056 0.819277
64 APR 0.542056 0.841463
65 5FA 0.542056 0.819277
66 AR6 0.542056 0.841463
67 9ZA 0.539823 0.835294
68 9ZD 0.539823 0.835294
69 OAD 0.53913 0.865854
70 AU1 0.537736 0.8
71 AD9 0.537037 0.8
72 A1R 0.535088 0.902439
73 PR8 0.534483 0.962963
74 DAL AMP 0.530973 0.853659
75 3OD 0.529915 0.865854
76 FYA 0.529915 0.853659
77 AMP MG 0.529412 0.804878
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 AP2 0.52381 0.833333
84 A12 0.52381 0.833333
85 COD 0.523077 0.918605
86 V2G 0.522523 0.891566
87 HQG 0.522124 0.831325
88 NAI 0.52 0.793103
89 ATF 0.517857 0.790698
90 JNT 0.517241 0.865854
91 LAQ 0.516129 0.860465
92 ADP BEF 0.514019 0.817073
93 SON 0.514019 0.878049
94 ADP MG 0.514019 0.817073
95 GAP 0.513514 0.865854
96 6YZ 0.513274 0.821429
97 4UU 0.512195 0.823529
98 4UV 0.508197 0.823529
99 4UW 0.507937 0.816092
100 ANP MG 0.504425 0.809524
101 A22 0.504348 0.809524
102 BIS 0.504202 0.813953
103 OZV 0.5 0.819277
104 T99 0.5 0.790698
105 TAT 0.5 0.790698
106 7MD 0.5 0.927711
107 25A 0.5 0.819277
108 APC 0.5 0.833333
109 KAA 0.495798 0.815217
110 ADQ 0.495726 0.843373
111 A3R 0.495726 0.902439
112 ATP MG 0.495495 0.817073
113 ADP PO3 0.495495 0.817073
114 ADV 0.495495 0.855422
115 RBY 0.495495 0.855422
116 G3A 0.491935 0.784091
117 MAP 0.491379 0.781609
118 AP0 0.488372 0.784091
119 48N 0.488189 0.847059
120 G5P 0.488 0.784091
121 BT5 0.485075 0.873563
122 APC MG 0.482143 0.819277
123 M24 0.481752 0.786517
124 80F 0.481481 0.8
125 TXE 0.48062 0.835294
126 KMQ 0.479675 0.833333
127 NVA LMS 0.478992 0.795699
128 TSB 0.478632 0.741935
129 VO4 ADP 0.478261 0.8
130 A5A 0.478261 0.75
131 BEF ADP 0.477876 0.797619
132 5AS 0.477064 0.782609
133 L3W 0.476923 0.811765
134 J7C 0.476636 0.752941
135 AFH 0.47619 0.816092
136 GA7 0.47619 0.855422
137 25L 0.47541 0.809524
138 K15 0.475 0.833333
139 SMM 0.474138 0.752809
140 SSA 0.474138 0.763441
141 TXD 0.472868 0.835294
142 NAX 0.472868 0.827586
143 6V0 0.472868 0.804598
144 DQV 0.472441 0.831325
145 GTA 0.472441 0.777778
146 GJV 0.472222 0.755814
147 6RE 0.471698 0.744186
148 GSU 0.471074 0.782609
149 LSS 0.470588 0.765957
150 54H 0.470085 0.734043
151 VMS 0.470085 0.734043
152 SA8 0.469027 0.797619
153 JB6 0.467213 0.835294
154 5CA 0.466102 0.763441
155 53H 0.466102 0.726316
156 7MC 0.465649 0.928571
157 ALF ADP 0.465517 0.761364
158 G5A 0.464912 0.782609
159 KYE 0.464 0.802326
160 LEU LMS 0.46281 0.755319
161 LMS 0.462264 0.728261
162 DND 0.461538 0.833333
163 AMP DBH 0.460317 0.77907
164 J4G 0.459016 0.890244
165 NSS 0.458333 0.744681
166 0UM 0.458333 0.876543
167 DSZ 0.458333 0.763441
168 52H 0.457627 0.726316
169 EEM 0.456897 0.758621
170 CAJ 0.455782 0.931035
171 FB0 0.455782 0.88764
172 NAQ 0.453901 0.825581
173 LPA AMP 0.453846 0.83908
174 AOC 0.453704 0.714286
175 YSA 0.452381 0.744681
176 CA6 0.452055 0.806122
177 CNA 0.451852 0.833333
178 UP5 0.450382 0.802326
179 KH3 0.449612 0.845238
180 TAD 0.449612 0.816092
181 S7M 0.449153 0.758621
182 SAM 0.448276 0.758621
183 AMX 0.447552 0.918605
184 ALF ADP 3PG 0.44697 0.795455
185 D4F 0.446809 0.797753
186 0T1 0.446809 0.930233
187 BTX 0.445255 0.862069
188 ADJ 0.444444 0.850575
189 T5A 0.444444 0.840909
190 CMX 0.444444 0.930233
191 UPA 0.443609 0.813953
192 4TC 0.443609 0.804598
193 3DH 0.443396 0.714286
194 DCA 0.442857 0.908046
195 ARU 0.442623 0.775281
196 62X 0.442623 0.793103
197 SAI 0.439655 0.761905
198 NMX 0.439189 0.840426
199 ADP BMA 0.439024 0.821429
200 A3D 0.438849 0.843373
201 SFG 0.438596 0.777778
202 5X8 0.438596 0.746988
203 KXW 0.438462 0.819277
204 HAX 0.438356 0.88764
205 NAE 0.43662 0.845238
206 AF3 ADP 3PG 0.43609 0.795455
207 6IA 0.435897 0.858824
208 AHZ 0.435115 0.797753
209 NAD 0.434783 0.831325
210 0WD 0.434783 0.784091
211 2A5 0.434783 0.843373
212 EAD 0.434483 0.827586
213 CA8 0.434211 0.806122
214 139 0.433824 0.848837
215 8PZ 0.433071 0.744681
216 ATP A A A 0.433071 0.807229
217 ATP A 0.433071 0.807229
218 EP4 0.432692 0.717647
219 ETB 0.432624 0.853933
220 MCD 0.432432 0.909091
221 6MZ 0.432432 0.807229
222 P1H 0.432432 0.850575
223 6AD 0.432203 0.775281
224 9K8 0.432 0.704082
225 5CD 0.431373 0.698795
226 PAP 0.431034 0.807229
227 ZID 0.430556 0.821429
228 XYA 0.43 0.731707
229 ADN 0.43 0.731707
230 RAB 0.43 0.731707
231 8X1 0.429752 0.776596
232 KY2 0.429752 0.77907
233 A4P 0.42963 0.782609
234 M2T 0.428571 0.681818
235 CAO 0.427586 0.877778
236 4YB 0.427481 0.765957
237 SAH 0.42735 0.771084
238 SCD 0.426667 0.930233
239 COA 0.426573 0.908046
240 H1Q 0.426087 0.785714
241 P5A 0.424 0.826087
242 BCO 0.423841 0.909091
243 KYB 0.422764 0.77907
244 FAM 0.421769 0.88764
245 FCX 0.421769 0.898876
246 5N5 0.421569 0.731707
247 OZP 0.421053 0.819277
248 A3S 0.421053 0.768293
249 7D5 0.420561 0.785714
250 PPS 0.420168 0.728261
251 AR6 AR6 0.419847 0.819277
252 S4M 0.419643 0.772727
253 7D3 0.419643 0.788235
254 HXC 0.419355 0.888889
255 ATR 0.418803 0.795181
256 HY8 0.41791 0.821429
257 COS 0.417808 0.88764
258 30N 0.417808 0.831579
259 0ET 0.417722 0.888889
260 A4D 0.417476 0.710843
261 MHZ 0.417391 0.804598
262 7D4 0.417391 0.788235
263 P5F 0.417178 0.804348
264 A3P 0.415929 0.817073
265 MAO 0.415929 0.804598
266 NAJ PZO 0.415493 0.764045
267 VRT 0.415254 0.817073
268 DTA 0.415094 0.705882
269 SCO 0.414966 0.930233
270 WSA 0.414815 0.752688
271 GEK 0.414634 0.764706
272 A1S 0.414474 0.88764
273 NEC 0.414414 0.731707
274 A3G 0.414414 0.780488
275 CO8 0.414013 0.888889
276 A3T 0.413793 0.756098
277 YZS 0.413333 0.806122
278 KGP 0.413333 0.806122
279 NDE 0.413333 0.811765
280 SOP 0.413333 0.88764
281 NDP 0.413043 0.784091
282 HDC 0.4125 0.888889
283 ACO 0.412162 0.877778
284 F0P 0.411765 0.819277
285 LCV 0.411765 0.816327
286 NAD TDB 0.411765 0.819277
287 NAD IBO 0.411765 0.819277
288 SO5 0.411765 0.816327
289 MYA 0.411392 0.888889
290 ST9 0.411392 0.888889
291 MFK 0.411392 0.888889
292 DCC 0.411392 0.888889
293 UCC 0.411392 0.888889
294 5F9 0.411392 0.888889
295 DZD 0.411348 0.858824
296 MTA 0.411215 0.714286
297 A3N 0.410714 0.705882
298 1VU 0.410596 0.898876
299 MRR 0.409938 0.888889
300 MRS 0.409938 0.888889
301 NO7 0.409836 0.811765
302 A2R 0.409836 0.831325
303 01K 0.409639 0.88764
304 2MC 0.407895 0.849462
305 B1U 0.407692 0.673267
306 NVA 2AD 0.40678 0.807229
307 FYN 0.406667 0.908046
308 3KK 0.406667 0.88764
309 3CP 0.406452 0.909091
310 KGA 0.406452 0.842105
311 KB1 0.40625 0.747126
312 3HC 0.405229 0.897727
313 IVC 0.405229 0.897727
314 ITT 0.405172 0.77381
315 649 0.404412 0.787234
316 AMP NAD 0.404255 0.831325
317 NAJ PYZ 0.40411 0.731183
318 COK 0.403974 0.88764
319 OXK 0.403974 0.909091
320 NHM 0.403727 0.888889
321 UOQ 0.403727 0.888889
322 NHW 0.403727 0.888889
323 A2P 0.403509 0.804878
324 HZ2 0.402985 0.821429
325 COO 0.402597 0.88764
326 FNK 0.402516 0.806452
327 V47 0.401639 0.743902
328 3NZ 0.401575 0.764706
329 8Q2 0.40146 0.721649
330 CMC 0.401316 0.909091
331 CO6 0.401316 0.88764
332 GRA 0.401274 0.909091
333 3AM 0.4 0.804878
334 KOY 0.4 0.761905
335 MC4 0.4 0.840426
336 2CP 0.4 0.898876
337 YXR 0.4 0.806122
338 YXS 0.4 0.806122
Similar Ligands (3D)
Ligand no: 1; Ligand: YLB; 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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