Receptor
PDB id Resolution Class Description Source Keywords
5WJE 1.77 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF NAA80 BOUND TO A BISUBSTRATE ANALOGUE DROSOPHILA MELANOGASTER ACETYLTRANSFERASE ACETYL-COA GNAT FOLD ACETYLATION TRANS
Ref.: STRUCTURAL DETERMINANTS AND CELLULAR ENVIRONMENT DE PROCESSED ACTIN AS THE SOLE SUBSTRATE OF THE N-TERM ACETYLTRANSFERASE NAA80. PROC. NATL. ACAD. SCI. V. 115 4405 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP ASP ASP ILE NH2 CMC B:1;
 Valid;
 none;
 ic50 = 0.38 uM
1276.97 n/a S(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WJE 1.77 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF NAA80 BOUND TO A BISUBSTRATE ANALOGUE DROSOPHILA MELANOGASTER ACETYLTRANSFERASE ACETYL-COA GNAT FOLD ACETYLATION TRANS
Ref.: STRUCTURAL DETERMINANTS AND CELLULAR ENVIRONMENT DE PROCESSED ACTIN AS THE SOLE SUBSTRATE OF THE N-TERM ACETYLTRANSFERASE NAA80. PROC. NATL. ACAD. SCI. V. 115 4405 2018 U.S.A.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 5WJD - CIT C6 H8 O7 C(C(=O)O)C....
2 5WJE ic50 = 0.38 uM ASP ASP ASP ILE NH2 CMC n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 5WJD - CIT C6 H8 O7 C(C(=O)O)C....
2 5WJE ic50 = 0.38 uM ASP ASP ASP ILE NH2 CMC n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 5WJD - CIT C6 H8 O7 C(C(=O)O)C....
2 5WJE ic50 = 0.38 uM ASP ASP ASP ILE NH2 CMC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASP ASP ASP ILE NH2 CMC; Similar ligands found: 136
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP ASP ASP ILE NH2 CMC 1 1
2 ACE SER ASP ALY THR NH2 COA 0.77193 0.977273
3 MET VAL ASN ALA CMC 0.72 0.955056
4 BUA COA 0.703226 0.965909
5 HMG 0.698113 0.965909
6 COA FLC 0.686667 0.965517
7 6NA COA 0.68125 0.944444
8 EO3 COA 0.668712 0.944444
9 X90 COA 0.668712 0.944444
10 DAO COA 0.668712 0.944444
11 DKA COA 0.668712 0.944444
12 MYR COA 0.668712 0.944444
13 DCR COA 0.668712 0.944444
14 PLM COA 0.668712 0.944444
15 ACE MET LEU GLY PRO NH2 COA 0.661376 0.955056
16 CMC 0.611111 0.955056
17 CCQ 0.607143 0.913979
18 SOP 0.604938 0.933333
19 COF 0.60241 0.913043
20 A1S 0.584337 0.933333
21 01K 0.58427 0.933333
22 2CP 0.577381 0.944444
23 4CO 0.575581 0.923077
24 0FQ 0.575581 0.933333
25 IVC 0.57485 0.922222
26 3HC 0.57485 0.922222
27 UOQ 0.574713 0.934066
28 NHW 0.574713 0.934066
29 NHM 0.574713 0.934066
30 1VU 0.572289 0.923077
31 01A 0.572254 0.893617
32 NHQ 0.567416 0.94382
33 3CP 0.564706 0.955056
34 HGG 0.564706 0.933333
35 COS 0.564417 0.912088
36 CAO 0.564417 0.902174
37 30N 0.564417 0.85567
38 4CA 0.561404 0.923077
39 FYN 0.560241 0.932584
40 CS8 0.56 0.923913
41 SCA 0.558824 0.933333
42 MC4 0.558824 0.884211
43 ACO 0.557576 0.902174
44 MLC 0.556213 0.933333
45 BCO 0.556213 0.933333
46 TGC 0.554913 0.944444
47 HFQ 0.553672 0.913043
48 CO6 0.553571 0.912088
49 CAA 0.552941 0.922222
50 CIC 0.551724 0.955056
51 3KK 0.550898 0.912088
52 OXK 0.547619 0.933333
53 COK 0.547619 0.912088
54 1HE 0.547059 0.913043
55 KFV 0.546512 0.857143
56 COT 0.546448 0.933333
57 0T1 0.546012 0.932584
58 0ET 0.545455 0.934066
59 NMX 0.544379 0.864583
60 COO 0.54386 0.912088
61 MCA 0.54386 0.923077
62 5AD NJS 0.543478 0.913979
63 DCA 0.54321 0.911111
64 93M 0.541667 0.944444
65 2MC 0.541176 0.873684
66 YXS 0.540698 0.83
67 YXR 0.540698 0.83
68 GRA 0.54023 0.933333
69 HXC 0.54023 0.913043
70 MCD 0.538462 0.912088
71 BYC 0.537572 0.912088
72 IRC 0.537572 0.922222
73 2KQ 0.537572 0.913043
74 COA 0.536585 0.932584
75 MRS 0.536313 0.913043
76 MRR 0.536313 0.913043
77 AMX 0.536145 0.921348
78 HAX 0.535714 0.891304
79 BCA 0.534483 0.902174
80 FAQ 0.534483 0.912088
81 CO8 0.534091 0.913043
82 1CZ 0.534091 0.923077
83 SCO 0.532934 0.932584
84 CMX 0.532934 0.932584
85 SCD 0.532164 0.932584
86 DCC 0.531073 0.913043
87 ST9 0.531073 0.913043
88 MYA 0.531073 0.913043
89 5F9 0.531073 0.913043
90 MFK 0.531073 0.913043
91 UCC 0.531073 0.913043
92 HDC 0.530726 0.913043
93 FAM 0.529762 0.891304
94 1GZ 0.528736 0.902174
95 COW 0.528736 0.902174
96 CA5 0.526316 0.893617
97 2NE 0.525424 0.892473
98 1CV 0.52514 0.933333
99 ETB 0.52439 0.858696
100 FCX 0.52071 0.902174
101 KGP 0.520468 0.83
102 CA6 0.520468 0.848485
103 YZS 0.520468 0.83
104 KGJ 0.520231 0.85567
105 WCA 0.516667 0.892473
106 DAK 0.516484 0.903226
107 CAJ 0.514451 0.933333
108 4KX 0.513812 0.882979
109 8Z2 0.513661 0.903226
110 KGA 0.511364 0.865979
111 RMW 0.510417 0.913043
112 SO5 0.508571 0.84
113 LCV 0.508571 0.84
114 YE1 0.508571 0.901099
115 YNC 0.508197 0.902174
116 93P 0.507772 0.944444
117 CA3 0.5 0.933333
118 J5H 0.5 0.912088
119 1HA 0.494681 0.892473
120 CA8 0.494382 0.83
121 COD 0.490909 0.943182
122 F8G 0.489474 0.875
123 S0N 0.483516 0.912088
124 7L1 0.479769 0.902174
125 CO7 0.47486 0.912088
126 UCA 0.469697 0.892473
127 BSJ 0.451923 0.923913
128 N9V 0.451613 0.902174
129 5TW 0.450237 0.85567
130 4BN 0.450237 0.85567
131 OXT 0.447619 0.875
132 JBT 0.439815 0.857143
133 UOC COA 0.420455 0.764045
134 ATP A 0.411043 0.772727
135 ATP A A A 0.411043 0.772727
136 MET LYS ALA VAL 1XE 0.404545 0.923913
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP ASP ASP ILE NH2 CMC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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