Receptor
PDB id Resolution Class Description Source Keywords
4CH5 2.2 Å EC: 6.1.1.26 STRUCTURE OF PYRROLYSYL-TRNA SYNTHETASE IN COMPLEX WITH ADEN PROPIONYL LYSINE METHANOSARCINA MAZEI LIGASE NON-NATURAL AMINO ACID PYRROLYSINE
Ref.: STRUCTURAL BASIS FOR THE SITE-SPECIFIC INCORPORATIO LYSINE DERIVATIVES INTO PROTEINS. PLOS ONE V. 9 96198 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
POP A:1461;
Invalid;
none;
submit data
175.959 H2 O7 P2 O[P@@...
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)...
YLP A:500;
Valid;
none;
submit data
531.457 C19 H30 N7 O9 P CCC(=...
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: YLP; Similar ligands found: 344
No: Ligand ECFP6 Tc MDL keys Tc
1 YLP 1 1
2 YLB 0.871287 0.97561
3 YLC 0.817308 0.951219
4 AYB 0.803738 0.963855
5 LAD 0.785714 0.950617
6 YLA 0.777778 0.928571
7 YLY 0.754386 0.963855
8 SRP 0.714286 0.901235
9 ME8 0.708738 0.860465
10 N0B 0.705882 0.928571
11 5AL 0.693878 0.876543
12 NB8 0.692308 0.847059
13 AMO 0.686275 0.878049
14 8LH 0.663366 0.878049
15 8QN 0.660194 0.876543
16 4AD 0.653846 0.86747
17 CA0 0.649485 0.843373
18 FA5 0.642202 0.878049
19 PAJ 0.638095 0.837209
20 KG4 0.626263 0.843373
21 QA7 0.619048 0.845238
22 8LQ 0.619048 0.878049
23 PTJ 0.614679 0.825581
24 8LE 0.61165 0.845238
25 XAH 0.607143 0.904762
26 PRX 0.60396 0.865854
27 M33 0.6 0.831325
28 A2D 0.597938 0.819277
29 TYM 0.59322 0.878049
30 WAQ 0.590909 0.925926
31 F2R 0.590164 0.883721
32 AN2 0.59 0.809524
33 DLL 0.587156 0.853659
34 AHX 0.587156 0.847059
35 BA3 0.585859 0.819277
36 1ZZ 0.585586 0.927711
37 TXA 0.585586 0.855422
38 45A 0.581633 0.819277
39 ABM 0.581633 0.819277
40 B4P 0.58 0.819277
41 ADP 0.58 0.819277
42 AP5 0.58 0.819277
43 AT4 0.574257 0.790698
44 ANP 0.571429 0.8
45 OOB 0.568807 0.853659
46 5SV 0.568807 0.891566
47 ADX 0.568627 0.747253
48 3UK 0.567568 0.843373
49 AGS 0.567308 0.781609
50 AMP 0.56701 0.817073
51 A 0.56701 0.817073
52 IOT 0.565574 0.917647
53 ARG AMP 0.564103 0.872093
54 ACP 0.563107 0.821429
55 HEJ 0.563107 0.819277
56 ATP 0.563107 0.819277
57 50T 0.563107 0.788235
58 B5V 0.5625 0.833333
59 9SN 0.561404 0.804598
60 00A 0.558559 0.813953
61 AQP 0.557692 0.819277
62 APR 0.557692 0.841463
63 5FA 0.557692 0.819277
64 AR6 0.557692 0.841463
65 B5Y 0.556522 0.845238
66 9ZD 0.554545 0.835294
67 9ZA 0.554545 0.835294
68 AU1 0.553398 0.8
69 AD9 0.552381 0.8
70 A1R 0.54955 0.902439
71 PR8 0.548673 0.962963
72 AMP MG 0.545455 0.804878
73 DAL AMP 0.545455 0.853659
74 SRA 0.545455 0.77907
75 FYA 0.54386 0.853659
76 3OD 0.54386 0.865854
77 B5M 0.543103 0.845238
78 ACQ 0.542056 0.821429
79 OAD 0.539823 0.865854
80 AP2 0.539216 0.833333
81 A12 0.539216 0.833333
82 V2G 0.537037 0.891566
83 HQG 0.536364 0.831325
84 ATF 0.53211 0.790698
85 ADP BEF 0.528846 0.817073
86 ADP MG 0.528846 0.817073
87 GAP 0.527778 0.865854
88 6YZ 0.527273 0.821429
89 9X8 0.526316 0.823529
90 4UU 0.525 0.823529
91 4UV 0.521008 0.823529
92 NAI 0.520325 0.793103
93 4UW 0.520325 0.837209
94 ANP MG 0.518182 0.809524
95 A22 0.517857 0.809524
96 JNT 0.517544 0.865854
97 LAQ 0.516393 0.860465
98 SON 0.514286 0.878049
99 APC 0.514019 0.833333
100 TAT 0.513761 0.790698
101 T99 0.513761 0.790698
102 OZV 0.513274 0.819277
103 25A 0.513274 0.819277
104 MYR AMP 0.512821 0.904762
105 COD 0.511628 0.896552
106 ADV 0.509259 0.855422
107 ADP PO3 0.509259 0.817073
108 RBY 0.509259 0.855422
109 ATP MG 0.509259 0.817073
110 A3R 0.508772 0.902439
111 ADQ 0.508772 0.843373
112 KAA 0.508621 0.815217
113 MAP 0.504425 0.781609
114 BIS 0.504274 0.813953
115 G3A 0.504132 0.784091
116 OMR 0.504 0.916667
117 7MD 0.5 0.927711
118 G5P 0.5 0.784091
119 48N 0.5 0.869048
120 AP0 0.5 0.784091
121 APC MG 0.495413 0.819277
122 M24 0.492537 0.786517
123 80F 0.492424 0.8
124 TXE 0.492063 0.835294
125 KMQ 0.491667 0.833333
126 TSB 0.491228 0.741935
127 A5A 0.491071 0.75
128 VO4 ADP 0.491071 0.8
129 BEF ADP 0.490909 0.797619
130 5AS 0.490566 0.782609
131 GA7 0.487805 0.833333
132 AFH 0.487805 0.816092
133 25L 0.487395 0.809524
134 SSA 0.486726 0.763441
135 GJV 0.485714 0.755814
136 6RE 0.485437 0.744186
137 BT5 0.484848 0.873563
138 TXD 0.484127 0.835294
139 6V0 0.484127 0.804598
140 NAX 0.484127 0.827586
141 GTA 0.483871 0.777778
142 DQV 0.483871 0.831325
143 LSS 0.482759 0.747368
144 VMS 0.482456 0.734043
145 54H 0.482456 0.734043
146 SA8 0.481818 0.776471
147 JB6 0.478992 0.835294
148 NVA LMS 0.478632 0.776596
149 53H 0.478261 0.726316
150 5CA 0.478261 0.763441
151 ALF ADP 0.477876 0.761364
152 G5A 0.477477 0.782609
153 L3W 0.476562 0.811765
154 J7C 0.47619 0.752941
155 LMS 0.475728 0.728261
156 KYE 0.47541 0.802326
157 K15 0.474576 0.833333
158 LEU LMS 0.474576 0.736842
159 NAQ 0.474453 0.825581
160 SMM 0.473684 0.752809
161 DND 0.472441 0.833333
162 GSU 0.470588 0.782609
163 DSZ 0.470085 0.763441
164 52H 0.469565 0.726316
165 D4F 0.467153 0.797753
166 7MC 0.465116 0.951807
167 CNA 0.462121 0.833333
168 UP5 0.460938 0.802326
169 S7M 0.46087 0.77907
170 TAD 0.460317 0.816092
171 AMP DBH 0.459677 0.77907
172 J4G 0.458333 0.890244
173 NSS 0.457627 0.744681
174 0UM 0.457627 0.853659
175 ALF ADP 3PG 0.457364 0.795455
176 3DH 0.456311 0.714286
177 EEM 0.45614 0.738636
178 PAP 0.455357 0.807229
179 ATP A A A 0.455285 0.807229
180 ATP A 0.455285 0.807229
181 BTX 0.455224 0.862069
182 FB0 0.455172 0.88764
183 T5A 0.454545 0.840909
184 ADJ 0.454545 0.850575
185 4TC 0.453846 0.804598
186 UPA 0.453846 0.813953
187 ARU 0.453782 0.775281
188 62X 0.453782 0.793103
189 LPA AMP 0.453125 0.83908
190 AOC 0.45283 0.714286
191 YSA 0.451613 0.744681
192 SAH 0.451327 0.771084
193 SAI 0.451327 0.761905
194 5X8 0.45045 0.746988
195 SFG 0.45045 0.777778
196 ADP BMA 0.45 0.821429
197 KXW 0.448819 0.819277
198 KH3 0.448819 0.845238
199 A3D 0.448529 0.843373
200 6IA 0.447368 0.837209
201 SAM 0.447368 0.738636
202 2A5 0.446429 0.843373
203 AF3 ADP 3PG 0.446154 0.795455
204 NAE 0.446043 0.823529
205 EP4 0.445545 0.697674
206 AHZ 0.445312 0.818182
207 CAJ 0.445205 0.931035
208 5CD 0.444444 0.698795
209 0WD 0.444444 0.784091
210 NAD 0.444444 0.831325
211 6MZ 0.444444 0.807229
212 EAD 0.443662 0.827586
213 139 0.443609 0.848837
214 8PZ 0.443548 0.744681
215 PPS 0.443478 0.728261
216 RAB 0.443299 0.731707
217 XYA 0.443299 0.731707
218 ADN 0.443299 0.731707
219 9K8 0.442623 0.704082
220 DCA 0.442029 0.908046
221 ETB 0.442029 0.853933
222 CA6 0.441379 0.806122
223 KY2 0.440678 0.77907
224 8X1 0.440678 0.776596
225 A3P 0.440367 0.817073
226 A4P 0.439394 0.782609
227 AMX 0.43662 0.896552
228 0T1 0.435714 0.908046
229 P5A 0.434426 0.826087
230 5N5 0.434343 0.731707
231 CMX 0.433566 0.908046
232 KYB 0.433333 0.77907
233 7D5 0.432692 0.785714
234 A3S 0.432432 0.768293
235 P1H 0.431507 0.829545
236 7D3 0.431193 0.788235
237 6AD 0.431034 0.775281
238 DZD 0.430657 0.858824
239 A4D 0.43 0.710843
240 ATR 0.429825 0.795181
241 AR6 AR6 0.429688 0.819277
242 ZID 0.429577 0.821429
243 NMX 0.428571 0.821053
244 MHZ 0.428571 0.804598
245 7D4 0.428571 0.788235
246 HAX 0.427586 0.866667
247 HY8 0.427481 0.821429
248 M2T 0.427184 0.662921
249 DTA 0.427184 0.705882
250 CAO 0.426573 0.857143
251 A3G 0.425926 0.780488
252 NEC 0.425926 0.731707
253 COA 0.425532 0.886364
254 GEK 0.425 0.764706
255 H1Q 0.424779 0.785714
256 A3T 0.424779 0.756098
257 3AM 0.424528 0.804878
258 NAJ PZO 0.42446 0.764045
259 WSA 0.424242 0.752688
260 CA8 0.423841 0.787879
261 MTA 0.423077 0.694118
262 A3N 0.422018 0.705882
263 NDE 0.421769 0.811765
264 MCD 0.421769 0.909091
265 NAD TDB 0.421053 0.819277
266 NAD IBO 0.421053 0.819277
267 FAM 0.42069 0.866667
268 FCX 0.42069 0.877778
269 A2R 0.420168 0.831325
270 NO7 0.420168 0.811765
271 OZP 0.419847 0.819277
272 A7D 0.419643 0.759036
273 SXZ 0.419355 0.77907
274 1VU 0.418919 0.898876
275 S4M 0.418182 0.772727
276 B1U 0.417323 0.673267
277 30N 0.416667 0.8125
278 COS 0.416667 0.866667
279 SCD 0.416107 0.908046
280 ITT 0.415929 0.77381
281 4YB 0.415385 0.765957
282 A2P 0.414414 0.804878
283 MAO 0.414414 0.784091
284 VRT 0.413793 0.795181
285 SCO 0.413793 0.908046
286 A1S 0.413333 0.866667
287 AMP NAD 0.413043 0.831325
288 NAJ PYZ 0.412587 0.731183
289 HZ2 0.412214 0.821429
290 SOP 0.412162 0.88764
291 NDP 0.411765 0.784091
292 ACO 0.410959 0.877778
293 F0P 0.410448 0.819277
294 8Q2 0.410448 0.721649
295 FNK 0.410256 0.787234
296 38V 0.409722 0.797753
297 HXC 0.409091 0.888889
298 01K 0.408537 0.88764
299 0ET 0.407643 0.888889
300 NDC 0.406667 0.869048
301 2MC 0.406667 0.849462
302 3KK 0.405405 0.88764
303 FYN 0.405405 0.886364
304 3CP 0.405229 0.88764
305 NVA 2AD 0.405172 0.785714
306 KB1 0.404762 0.747126
307 3HC 0.403974 0.876405
308 BCO 0.403974 0.88764
309 IVC 0.403974 0.876405
310 CO8 0.403846 0.888889
311 2SA 0.403361 0.855422
312 NA7 0.403226 0.855422
313 649 0.402985 0.787234
314 Q2P 0.402878 0.741573
315 YZS 0.402685 0.806122
316 OXK 0.402685 0.88764
317 COK 0.402685 0.866667
318 KGP 0.402685 0.806122
319 HDC 0.402516 0.888889
320 NWW 0.401961 0.658537
321 JSQ 0.401709 0.781609
322 O02 0.401709 0.804598
323 HFD 0.401709 0.781609
324 QXP 0.401639 0.712766
325 LCV 0.401316 0.816327
326 COO 0.401316 0.866667
327 SO5 0.401316 0.816327
328 FDA 0.401316 0.793478
329 MFK 0.401274 0.888889
330 ST9 0.401274 0.888889
331 MYA 0.401274 0.888889
332 UCC 0.401274 0.888889
333 5F9 0.401274 0.888889
334 DCC 0.401274 0.888889
335 V47 0.4 0.743902
336 3NZ 0.4 0.764706
337 N5O 0.4 0.768293
338 CO6 0.4 0.88764
339 MRR 0.4 0.888889
340 GRA 0.4 0.88764
341 CMC 0.4 0.88764
342 Q34 0.4 0.741573
343 DSH 0.4 0.795181
344 MRS 0.4 0.888889
Similar Ligands (3D)
Ligand no: 1; Ligand: YLP; 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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