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 CMC NH2 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 33 families.
1 5WJD - CIT C6 H8 O7 C(C(=O)O)C....
2 5WJE ic50 = 0.38 uM ASP ASP ASP ILE CMC NH2 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 30 families.
1 5WJD - CIT C6 H8 O7 C(C(=O)O)C....
2 5WJE ic50 = 0.38 uM ASP ASP ASP ILE CMC NH2 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 29 families.
1 5WJD - CIT C6 H8 O7 C(C(=O)O)C....
2 5WJE ic50 = 0.38 uM ASP ASP ASP ILE CMC NH2 n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP ASP ASP ILE CMC NH2; Similar ligands found: 112
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP ASP ASP ILE CMC NH2 1 1
2 ACE SER ASP ALY THR NH2 COA 0.77193 0.977273
3 HMG 0.698113 0.965909
4 PLM COA 0.668712 0.944444
5 COA PLM 0.668712 0.944444
6 CMC 0.611111 0.955056
7 CCQ 0.607143 0.913979
8 SOP 0.604938 0.933333
9 COF 0.60241 0.913043
10 A1S 0.584337 0.933333
11 01K 0.58427 0.933333
12 2CP 0.577381 0.944444
13 0FQ 0.575581 0.933333
14 4CO 0.575581 0.923077
15 IVC 0.57485 0.922222
16 3HC 0.57485 0.922222
17 NHW 0.574713 0.934066
18 NHM 0.574713 0.934066
19 UOQ 0.574713 0.934066
20 1VU 0.572289 0.923077
21 01A 0.572254 0.893617
22 NHQ 0.567416 0.94382
23 3CP 0.564706 0.955056
24 HGG 0.564706 0.933333
25 30N 0.564417 0.85567
26 CAO 0.564417 0.902174
27 COS 0.564417 0.912088
28 4CA 0.561404 0.923077
29 FYN 0.560241 0.932584
30 CS8 0.56 0.923913
31 SCA 0.558824 0.933333
32 MC4 0.558824 0.884211
33 ACO 0.557576 0.902174
34 MLC 0.556213 0.933333
35 BCO 0.556213 0.933333
36 TGC 0.554913 0.944444
37 HFQ 0.553672 0.913043
38 CO6 0.553571 0.912088
39 CAA 0.552941 0.922222
40 CIC 0.551724 0.955056
41 3KK 0.550898 0.912088
42 COK 0.547619 0.912088
43 OXK 0.547619 0.933333
44 1HE 0.547059 0.913043
45 COT 0.546448 0.933333
46 0T1 0.546012 0.932584
47 0ET 0.545455 0.934066
48 NMX 0.544379 0.864583
49 COO 0.54386 0.912088
50 MCA 0.54386 0.923077
51 DCA 0.54321 0.911111
52 93M 0.541667 0.944444
53 2MC 0.541176 0.873684
54 GRA 0.54023 0.933333
55 HXC 0.54023 0.913043
56 MCD 0.538462 0.912088
57 IRC 0.537572 0.922222
58 BYC 0.537572 0.912088
59 2KQ 0.537572 0.913043
60 COA 0.536585 0.932584
61 MRS 0.536313 0.913043
62 MRR 0.536313 0.913043
63 AMX 0.536145 0.921348
64 HAX 0.535714 0.891304
65 BCA 0.534483 0.902174
66 FAQ 0.534483 0.912088
67 CO8 0.534091 0.913043
68 1CZ 0.534091 0.923077
69 SCO 0.532934 0.932584
70 CMX 0.532934 0.932584
71 SCD 0.532164 0.932584
72 DCC 0.531073 0.913043
73 ST9 0.531073 0.913043
74 MYA 0.531073 0.913043
75 UCC 0.531073 0.913043
76 5F9 0.531073 0.913043
77 MFK 0.531073 0.913043
78 HDC 0.530726 0.913043
79 FAM 0.529762 0.891304
80 COW 0.528736 0.902174
81 1GZ 0.528736 0.902174
82 CA5 0.526316 0.893617
83 2NE 0.525424 0.892473
84 1CV 0.52514 0.933333
85 ETB 0.52439 0.858696
86 FCX 0.52071 0.902174
87 CA6 0.520468 0.848485
88 WCA 0.516667 0.892473
89 DAK 0.516484 0.903226
90 CAJ 0.514451 0.933333
91 4KX 0.513812 0.882979
92 8Z2 0.513661 0.903226
93 YE1 0.508571 0.901099
94 YNC 0.508197 0.902174
95 93P 0.507772 0.944444
96 CA3 0.5 0.933333
97 1HA 0.494681 0.892473
98 CA8 0.494382 0.83
99 COD 0.490909 0.943182
100 F8G 0.489474 0.875
101 S0N 0.483516 0.912088
102 7L1 0.479769 0.902174
103 CO7 0.47486 0.912088
104 UCA 0.469697 0.892473
105 BSJ 0.451923 0.923913
106 4BN 0.450237 0.85567
107 5TW 0.450237 0.85567
108 OXT 0.447619 0.875
109 JBT 0.439815 0.857143
110 UOC COA 0.420455 0.764045
111 ATP A A A 0.411043 0.772727
112 MET LYS ALA VAL 1XE 0.404545 0.923913
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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