Structure of PDB 6vr7 Chain A Binding Site BS02

Receptor Information
>6vr7 Chain A (length=485) Species: 2180 (Methanothermus fervidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKKIVVIGGCGTVGSLMARILKSKGNDVTVSDIRKDTYLKDIFKSEGIKL
DLGGHDLSLIKKADAIAIAPSLTNNKKVLNLINKNPKAELIKIEDILKYK
VKKPVVGITGTNGKTTTREMLKNILKISGLEVPEHHLNITEFIPPLQARL
PGDVAVVEIGTFGVKNEIKRSAKNSNVTVGVITNISRDHLKNISFQEYVE
CKKEITEVAKKLVLNADDPIVASFGNDNTVYYGIENLKIKIKHFFEDRDC
PFCGKNLKYEEIFLGHLGKYECECGFKRPRPTVKAIDVENKKFILSIDSN
EGLVKLEYGGIFNVYNALAAAAAAFILKIDFDKIIEGLNTFKKVPGRMEK
IYKKPEIIIDYAHNVAGVKAILQTIKPKGRLIVVNTISSESGIKEDIKIA
KILSSADILIPASYSARKASKYTNTTVINVKSTEKKFKKGTLGASKFQVE
EAIKKALSYADKNDTILIIGEGGVKYGREIIEKIK
Ligand information
Ligand IDAAE
InChIInChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
InChIKeyWDJHALXBUFZDSR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)CC(=O)O
ACDLabs 10.04O=C(C)CC(=O)O
CACTVS 3.341CC(=O)CC(O)=O
FormulaC4 H6 O3
NameACETOACETIC ACID
ChEMBLCHEMBL1230762
DrugBankDB01762
ZINCZINC000000895089
PDB chain6vr7 Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vr7 Archaeal pseudomurein and bacterial murein cell wall biosynthesis share a common evolutionary ancestry
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N116 G117 K118 T119 T120 R354
Binding residue
(residue number reindexed from 1)		N112 G113 K114 T115 T116 R347
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004326 tetrahydrofolylpolyglutamate synthase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0009058 biosynthetic process
GO:0009396 folic acid-containing compound biosynthetic process
GO:0046901 tetrahydrofolylpolyglutamate biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6vr7, PDBe:6vr7, PDBj:6vr7
PDBsum6vr7
PubMed
UniProtE3GXV7

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