Receptor
PDB id Resolution Class Description Source Keywords
6TGX 1.77 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA NAA60 IN COMPLEX W BISUBSTRATE ANALOGUE ARABIDOPSIS THALIANA N-ALPHA-ACETYLTRANSFERASE NAA60 NATF NAT PLANT PROTEIN
Ref.: THE ARABIDOPSIS N ALPHA -ACETYLTRANSFERASE NAA60 LO THE PLASMA MEMBRANE AND IS VITAL FOR THE HIGH SALT RESPONSE. NEW PHYTOL. V. 228 554 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET VAL ASN ALA CMC C:2;
D:2;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.013;
Atoms found LESS than expected: % Diff = 0.013;
 submit data
1221.06 n/a S(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6TH0 1.75 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA NAA60 IN COMPLEX W ACETYL-COA ARABIDOPSIS THALIANA N-ALPHA-ACETYLTRANSFERASE NAA60 ACETYL-COA NATF PLANT PROTE
Ref.: THE ARABIDOPSIS N ALPHA -ACETYLTRANSFERASE NAA60 LO THE PLASMA MEMBRANE AND IS VITAL FOR THE HIGH SALT RESPONSE. NEW PHYTOL. V. 228 554 2020
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6TH0 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 6TGX - MET VAL ASN ALA 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 1331 families.
1 6TH0 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 6TGX - MET VAL ASN ALA 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 1144 families.
1 6TH0 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 6TGX - MET VAL ASN ALA CMC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MET VAL ASN ALA CMC; Similar ligands found: 134
No: Ligand ECFP6 Tc MDL keys Tc
1 MET VAL ASN ALA CMC 1 1
2 ASP ASP ASP ILE NH2 CMC 0.72 0.955056
3 ACE MET LEU GLY PRO NH2 COA 0.685567 1
4 ACE SER ASP ALY THR NH2 COA 0.65445 0.955056
5 BUA COA 0.64881 0.94382
6 HMG 0.635838 0.94382
7 COA FLC 0.631902 0.965517
8 6NA COA 0.630058 0.944444
9 DKA COA 0.619318 0.944444
10 DAO COA 0.619318 0.944444
11 EO3 COA 0.619318 0.944444
12 X90 COA 0.619318 0.944444
13 PLM COA 0.619318 0.944444
14 DCR COA 0.619318 0.944444
15 MYR COA 0.619318 0.944444
16 CCQ 0.554945 0.934783
17 SOP 0.542373 0.933333
18 COF 0.541436 0.913043
19 CMC 0.539326 0.933333
20 01K 0.536458 0.933333
21 A1S 0.533333 0.955056
22 2CP 0.527473 0.923077
23 1VU 0.522222 0.902174
24 NHQ 0.520833 0.94382
25 0FQ 0.518717 0.933333
26 4CO 0.518717 0.923077
27 IVC 0.516484 0.922222
28 3HC 0.516484 0.922222
29 1HE 0.516484 0.955556
30 01A 0.515957 0.893617
31 CAA 0.513661 0.922222
32 CS8 0.513228 0.923913
33 COT 0.510204 0.933333
34 ACO 0.50838 0.923077
35 MLC 0.508197 0.912088
36 HGG 0.508108 0.912088
37 TGC 0.508021 0.923077
38 5AD NJS 0.507614 0.893617
39 93M 0.507317 0.923077
40 COS 0.505618 0.912088
41 CAO 0.505618 0.902174
42 4CA 0.505376 0.923077
43 FYN 0.502762 0.932584
44 SCA 0.502703 0.912088
45 UOQ 0.502618 0.934066
46 NHM 0.502618 0.934066
47 NHW 0.502618 0.934066
48 3CP 0.5 0.933333
49 BCO 0.5 0.912088
50 HFQ 0.5 0.913043
51 CIC 0.497355 0.933333
52 FAQ 0.497326 0.912088
53 MCA 0.497297 0.902174
54 CO6 0.497268 0.912088
55 30N 0.497207 0.85567
56 GRA 0.494681 0.912088
57 MC4 0.494624 0.884211
58 3KK 0.494505 0.912088
59 0ET 0.492147 0.934066
60 KFV 0.491979 0.857143
61 IRC 0.491979 0.922222
62 COK 0.491803 0.912088
63 OXK 0.491803 0.912088
64 0T1 0.488764 0.911111
65 HDC 0.487047 0.913043
66 HXC 0.486772 0.913043
67 YXR 0.486631 0.83
68 YXS 0.486631 0.83
69 2MC 0.486486 0.873684
70 CA5 0.485294 0.893617
71 1GZ 0.484043 0.923077
72 MCD 0.483696 0.912088
73 FAM 0.483516 0.891304
74 CO8 0.481675 0.913043
75 COO 0.481283 0.912088
76 HAX 0.480874 0.891304
77 AMX 0.480663 0.921348
78 COA 0.480447 0.932584
79 UCC 0.479167 0.913043
80 MYA 0.479167 0.913043
81 ST9 0.479167 0.913043
82 DCC 0.479167 0.913043
83 5F9 0.479167 0.913043
84 MFK 0.479167 0.913043
85 DCA 0.477528 0.89011
86 MRR 0.476923 0.913043
87 MRS 0.476923 0.913043
88 COW 0.47619 0.902174
89 BYC 0.47619 0.912088
90 2KQ 0.47619 0.913043
91 93P 0.475728 0.923077
92 FCX 0.47541 0.88172
93 1CV 0.474227 0.912088
94 2NE 0.473958 0.892473
95 1CZ 0.473958 0.902174
96 BCA 0.473684 0.902174
97 NMX 0.473118 0.864583
98 SCO 0.469945 0.911111
99 CMX 0.469945 0.911111
100 ETB 0.469274 0.9
101 KGJ 0.468085 0.85567
102 CA3 0.46798 0.933333
103 YZS 0.467742 0.83
104 KGP 0.467742 0.83
105 YNC 0.467005 0.902174
106 RMW 0.463768 0.934066
107 CAJ 0.462766 0.891304
108 SCD 0.462766 0.911111
109 UCA 0.461538 0.913043
110 KGA 0.460733 0.846939
111 CA8 0.460733 0.83
112 CA6 0.459893 0.886598
113 DAK 0.459596 0.923913
114 WCA 0.459184 0.892473
115 F8G 0.458128 0.875
116 LCV 0.457895 0.821782
117 SO5 0.457895 0.821782
118 YE1 0.457895 0.901099
119 8Z2 0.457286 0.903226
120 4KX 0.456853 0.882979
121 J5H 0.452261 0.912088
122 THR ARG SER GLY FZN VAL MET ARG ARG LEU 0.445946 0.905263
123 1HA 0.441176 0.892473
124 COD 0.438889 0.943182
125 7L1 0.438503 0.923077
126 S0N 0.436548 0.891304
127 MET LYS ALA VAL 1XE 0.431111 0.966667
128 4BN 0.430493 0.875
129 5TW 0.430493 0.875
130 JBT 0.421053 0.857143
131 CO7 0.420513 0.912088
132 BSJ 0.418919 0.903226
133 OXT 0.415179 0.894737
134 N9V 0.40099 0.861702
Similar Ligands (3D)
Ligand no: 1; Ligand: MET VAL ASN ALA CMC; 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 : 6TH0; Ligand: ACO; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 6th0.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 6YUG ACO 17.1053
2 2CNT COA 20.442
3 4KVX ACO 43.5897
4 4KVX ACO 43.5897
Pocket No.: 2; Query (leader) PDB : 6TH0; Ligand: ACO; Similar sites found with APoc: 6
This union binding pocket(no: 2) in the query (biounit: 6th0.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4KOT CE3 5.55556
2 6YUG ACO 17.1053
3 2CNT COA 20.442
4 6YGB COA 22.6415
5 6WFN ACO 42.1053
6 6WFN U2J 42.1053
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