Structure of PDB 5o4v Chain C Binding Site BS04

Receptor Information
>5o4v Chain C (length=368) Species: 5855 (Plasmodium vivax) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYKFWYTQPVPKINDEFNESVNEPFISDNKVEDVRKDEYKLPPGYSWYVC
DVKDEKDRSEIYTLLTDNYVEDDDNIFRFNYSAEFLLWALTSPNYLKTWH
IGVKYDASNKLIGFISAIPTDICIHKRTIKMAEVNFLCVHKTLRSKRLAP
VLIKEITRRINLENIWQAIYTAGVYLPKPVSDARYYHRSINVKKLIEIGF
SVEDTLNIKNMRLMKKKDVEGVHKLLGSYLEQFNLYAVFTKEEIAHWFLP
IENVIYTYVNEENGKIKDMISFYSLPSQILGNDKYSTLNAAYSFYNVTTT
ATFKQLMQDAILLAKRNNFDVFNALEVMQNKSVFEDLKFGEGDGSLKYYL
YNWKCASFAPAHVGIVLL
Ligand information
Ligand ID9KZ
InChIInChI=1S/C14H15NO2/c1-4-17-14(16)13-9(2)11-7-5-6-8-12(11)15-10(13)3/h5-8H,4H2,1-3H3
InChIKeyASEYONPNBCGPAZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCOC(=O)c1c(c2ccccc2nc1C)C
CACTVS 3.385CCOC(=O)c1c(C)nc2ccccc2c1C
FormulaC14 H15 N O2
Nameethyl 2,4-dimethylquinoline-3-carboxylate
ChEMBLCHEMBL1740332
DrugBank
ZINCZINC000003382882
PDB chain5o4v Chain C Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5o4v Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E97 D98 F103 F105 H213 S319
Binding residue
(residue number reindexed from 1)		E71 D72 F77 F79 H187 S277
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N161 F162 L163 T197 L410
Catalytic site (residue number reindexed from 1) N135 F136 L137 T171 L368
Enzyme Commision number 2.3.1.97: glycylpeptide N-tetradecanoyltransferase.
Gene Ontology
Molecular Function
GO:0004379 glycylpeptide N-tetradecanoyltransferase activity
GO:0016746 acyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006499 N-terminal protein myristoylation
GO:0018008 N-terminal peptidyl-glycine N-myristoylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5o4v, PDBe:5o4v, PDBj:5o4v
PDBsum5o4v
PubMed29760414
UniProtA5K1A2

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