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 (35)
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 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
3 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
5 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 6AAQ Kd = 3.9 mM 9U9 C17 H26 N2 O4 C1C[C@@H]2....
9 6AAO Kd = 7.8 mM 9U0 C15 H26 N2 O4 C1CCC=CC(C....
10 6AAP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
12 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
13 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
14 6AB2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
16 6ABM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4CS3 - AMP LYS FU0 n/a n/a
19 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
20 6AAN Kd = 1.76 mM 9TX C16 H20 N2 O4 C#Cc1cccc(....
21 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
22 6AB1 - 9V0 C14 H19 N5 O4 c1ccc(c(c1....
23 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
24 6ABK Kd = 11.3 mM 9VF C11 H24 N2 O4 Si C[Si](C)(C....
25 6AAC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
27 6AB0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
28 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
29 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
30 6AAD Kd = 1.62 mM 9TU C16 H19 F3 N4 O4 c1cc(cc(c1....
31 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
32 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
33 2ZCE - PYL C12 H21 N3 O3 C[C@@H]1CC....
34 6AAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
35 6AB8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (35)
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 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
3 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
5 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 6AAQ Kd = 3.9 mM 9U9 C17 H26 N2 O4 C1C[C@@H]2....
9 6AAO Kd = 7.8 mM 9U0 C15 H26 N2 O4 C1CCC=CC(C....
10 6AAP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
12 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
13 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
14 6AB2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
16 6ABM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4CS3 - AMP LYS FU0 n/a n/a
19 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
20 6AAN Kd = 1.76 mM 9TX C16 H20 N2 O4 C#Cc1cccc(....
21 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
22 6AB1 - 9V0 C14 H19 N5 O4 c1ccc(c(c1....
23 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
24 6ABK Kd = 11.3 mM 9VF C11 H24 N2 O4 Si C[Si](C)(C....
25 6AAC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
27 6AB0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
28 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
29 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
30 6AAD Kd = 1.62 mM 9TU C16 H19 F3 N4 O4 c1cc(cc(c1....
31 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
32 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
33 2ZCE - PYL C12 H21 N3 O3 C[C@@H]1CC....
34 6AAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
35 6AB8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (35)
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 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
3 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
5 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 6AAQ Kd = 3.9 mM 9U9 C17 H26 N2 O4 C1C[C@@H]2....
9 6AAO Kd = 7.8 mM 9U0 C15 H26 N2 O4 C1CCC=CC(C....
10 6AAP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
12 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
13 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
14 6AB2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
16 6ABM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4CS3 - AMP LYS FU0 n/a n/a
19 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
20 6AAN Kd = 1.76 mM 9TX C16 H20 N2 O4 C#Cc1cccc(....
21 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
22 6AB1 - 9V0 C14 H19 N5 O4 c1ccc(c(c1....
23 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
24 6ABK Kd = 11.3 mM 9VF C11 H24 N2 O4 Si C[Si](C)(C....
25 6AAC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
27 6AB0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
28 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
29 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
30 6AAD Kd = 1.62 mM 9TU C16 H19 F3 N4 O4 c1cc(cc(c1....
31 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
32 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
33 2ZCE - PYL C12 H21 N3 O3 C[C@@H]1CC....
34 6AAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
35 6AB8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
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: 250
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 YAP 0.603448 0.857143
20 FA5 0.603448 0.86747
21 PAJ 0.598214 0.848837
22 8LQ 0.594595 0.890244
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 TXA 0.564103 0.86747
30 1ZZ 0.564103 0.916667
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 AHX 0.551724 0.837209
36 DLL 0.551724 0.843373
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 AMP 0.528846 0.807229
56 A 0.528846 0.807229
57 HEJ 0.527273 0.809524
58 ATP 0.527273 0.809524
59 ACP 0.527273 0.811765
60 50T 0.527273 0.77907
61 DAL AMP 0.525862 0.843373
62 00A 0.525424 0.804598
63 B5Y 0.52459 0.835294
64 5FA 0.522523 0.809524
65 AQP 0.522523 0.809524
66 9ZA 0.521368 0.825581
67 9ZD 0.521368 0.825581
68 AU1 0.518182 0.790698
69 SAP 0.517857 0.772727
70 AD9 0.517857 0.790698
71 AGS 0.517857 0.772727
72 A1R 0.516949 0.891566
73 PR8 0.516667 0.951219
74 FYA 0.512397 0.843373
75 3OD 0.512397 0.855422
76 B5M 0.512195 0.835294
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 ATF 0.5 0.781609
82 7MD 0.496063 0.916667
83 4UU 0.496063 0.813953
84 MYR AMP 0.495935 0.894118
85 9X8 0.495868 0.813953
86 OZV 0.495798 0.809524
87 6YZ 0.495726 0.811765
88 TAT 0.495652 0.781609
89 GAP 0.495652 0.855422
90 T99 0.495652 0.781609
91 SON 0.495495 0.86747
92 SRA 0.495327 0.770115
93 NAI 0.492308 0.784091
94 4UW 0.492308 0.806818
95 4UV 0.492063 0.813953
96 KAA 0.491803 0.806452
97 HQG 0.491525 0.821429
98 RBY 0.491228 0.845238
99 ADV 0.491228 0.845238
100 OMR 0.48855 0.905882
101 LAQ 0.488372 0.850575
102 BIS 0.487805 0.804598
103 A22 0.487395 0.8
104 25A 0.483333 0.809524
105 APC 0.482456 0.823529
106 ADP MG 0.482143 0.807229
107 DQV 0.48062 0.821429
108 A3R 0.479339 0.891566
109 ADQ 0.479339 0.833333
110 80F 0.478261 0.791209
111 G3A 0.476562 0.775281
112 JB6 0.475806 0.825581
113 MAP 0.475 0.772727
114 COD 0.474453 0.908046
115 AP0 0.473684 0.775281
116 7MC 0.473684 0.917647
117 48N 0.473282 0.837209
118 G5P 0.472868 0.775281
119 BT5 0.471014 0.863636
120 TXD 0.469697 0.825581
121 NAX 0.469697 0.818182
122 TYR AMP 0.46875 0.835294
123 TXE 0.466165 0.825581
124 APC MG 0.465517 0.809524
125 ATP MG 0.465517 0.807229
126 ADP PO3 0.465517 0.807229
127 NVA LMS 0.463415 0.787234
128 53H 0.46281 0.71875
129 TSB 0.46281 0.734043
130 A5A 0.462185 0.741935
131 GA7 0.461538 0.845238
132 AFH 0.461538 0.806818
133 25L 0.460317 0.8
134 5AS 0.460177 0.774194
135 K15 0.459677 0.823529
136 J7C 0.459459 0.744186
137 SSA 0.458333 0.755319
138 GTA 0.458015 0.769231
139 M24 0.457746 0.777778
140 GJV 0.455357 0.747126
141 LSS 0.455285 0.757895
142 54H 0.454545 0.726316
143 6RE 0.454545 0.735632
144 VMS 0.454545 0.726316
145 5CA 0.45082 0.755319
146 ALF ADP 0.45 0.752809
147 ADP ALF 0.45 0.752809
148 DND 0.447761 0.823529
149 UP5 0.447761 0.793103
150 6V0 0.447761 0.795455
151 NXX 0.447761 0.823529
152 SMM 0.446281 0.744444
153 VO4 ADP 0.446281 0.8
154 ADP VO4 0.446281 0.8
155 LMS 0.445455 0.72043
156 GSU 0.444444 0.774194
157 FB0 0.443709 0.877778
158 DSZ 0.443548 0.755319
159 0UM 0.443548 0.865854
160 BTX 0.442857 0.852273
161 52H 0.442623 0.71875
162 ADJ 0.442029 0.840909
163 NAQ 0.441379 0.816092
164 4TC 0.441176 0.795455
165 9K8 0.440945 0.69697
166 SA8 0.440678 0.788235
167 CNA 0.438849 0.823529
168 G5A 0.436975 0.774194
169 LEU LMS 0.436508 0.75
170 TAD 0.43609 0.806818
171 KH3 0.43609 0.835294
172 AMP DBH 0.435115 0.770115
173 NAE 0.434483 0.835294
174 S7M 0.434426 0.75
175 J4G 0.433071 0.879518
176 AHZ 0.432836 0.788889
177 EAD 0.432432 0.818182
178 NSS 0.432 0.736842
179 T5A 0.431655 0.831461
180 UPA 0.430657 0.804598
181 P1H 0.430464 0.840909
182 EEM 0.429752 0.75
183 LPA AMP 0.42963 0.829545
184 ARU 0.428571 0.766667
185 62X 0.428571 0.784091
186 A4P 0.427536 0.774194
187 YSA 0.427481 0.736842
188 3DH 0.427273 0.705882
189 A3D 0.426573 0.833333
190 ADP BMA 0.425197 0.811765
191 SAI 0.425 0.752941
192 AOC 0.424779 0.705882
193 5X8 0.423729 0.738095
194 SFG 0.423729 0.768293
195 NAJ PZO 0.423611 0.755556
196 AF3 ADP 3PG 0.423358 0.786517
197 NAD 0.422535 0.821429
198 A A 0.421875 0.788235
199 6IA 0.421488 0.848837
200 SAM 0.421488 0.75
201 139 0.421429 0.83908
202 2A5 0.420168 0.833333
203 6MZ 0.417391 0.797619
204 PAP 0.416667 0.797619
205 EP4 0.416667 0.709302
206 8X1 0.416 0.768421
207 5CD 0.415094 0.690476
208 XYA 0.413462 0.722892
209 RAB 0.413462 0.722892
210 ADN 0.413462 0.722892
211 SAH 0.413223 0.761905
212 WSA 0.413043 0.744681
213 0WD 0.412587 0.775281
214 NAJ PYZ 0.412162 0.723404
215 P5A 0.410853 0.817204
216 ZID 0.409396 0.811765
217 8PZ 0.409091 0.736842
218 MTA 0.409091 0.705882
219 ATP A A A 0.409091 0.797619
220 ATP A 0.409091 0.797619
221 A2R 0.408 0.821429
222 A3S 0.40678 0.759036
223 PPS 0.406504 0.72043
224 6AD 0.406504 0.766667
225 CAJ 0.406452 0.920455
226 HY8 0.405797 0.811765
227 5N5 0.40566 0.722892
228 7D5 0.405405 0.776471
229 0T1 0.405405 0.91954
230 7D3 0.405172 0.77907
231 S4M 0.405172 0.764045
232 ATR 0.404959 0.785714
233 MHZ 0.403361 0.795455
234 7D4 0.403361 0.77907
235 AMP NAD 0.402778 0.821429
236 NDE 0.402597 0.802326
237 A4D 0.401869 0.702381
238 A3P 0.401709 0.807229
239 MAO 0.401709 0.795455
240 VRT 0.401639 0.807229
241 GEK 0.401575 0.755814
242 DCA 0.401361 0.897727
243 ETB 0.401361 0.844444
244 BVT 0.40107 0.860215
245 M2T 0.4 0.674157
246 DTA 0.4 0.697674
247 NEC 0.4 0.722892
248 H1Q 0.4 0.776471
249 A3T 0.4 0.746988
250 DZD 0.4 0.848837
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: 17
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 6AGT 9X0 14.9635
6 3G1Z AMP 16.7883
7 3G1Z AMP 16.7883
8 3A5Y KAA 17.1533
9 3A5Y KAA 17.1533
10 3A5Z KAA 17.1533
11 3A5Z KAA 17.1533
12 3REU ATP 17.5182
13 3REU ATP 17.5182
14 3NEM ATP 18.2482
15 3NEM AMO 18.2482
16 3E9I XAH 22.2628
17 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: 17
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 6AGT 9X0 14.9635
6 3G1Z AMP 16.7883
7 3G1Z AMP 16.7883
8 3A5Y KAA 17.1533
9 3A5Y KAA 17.1533
10 3A5Z KAA 17.1533
11 3A5Z KAA 17.1533
12 3REU ATP 17.5182
13 3REU ATP 17.5182
14 3NEM ATP 18.2482
15 3NEM AMO 18.2482
16 3E9I XAH 22.2628
17 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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