Structure of PDB 3ktn Chain A Binding Site BS01

Receptor Information
>3ktn Chain A (length=340) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLKIAAFGEVMLRFTPPEYLMLEQTEQLRMNFVGTGVNLLANLAHFQLET
ALITKLPANRLGEAGKAALRKLGISDQWVGEKGDHIGSFFAEMGYGIRPT
QVTYQNRHQSAFGISEAKDYDFEAFLAEVDMVHICGISLSLTEKTRDAAL
ILAQKAHAYQKKVCFDFNYRPSLNTANSALFMRQQYERILPYCDIVFGSR
RDLVELLGFIPREDLEGEAQETELIQRFMSQYNLEWFAGTTRSHSQNQNY
LSGYLYTQNEYQQSEKRPLLNLDRIGAGDAYAAGILYGYSQNWSLEKAVT
FATVNGVLAHTIQGDIPLTTVKQVNHVLEHPNIDLIREGH
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3ktn Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ktn Crystal Structure of a putative 2-Keto-3-deoxygluconate Kinase from Enterococcus faecalis
Resolution2.26 Å
Binding residue
(original residue number in PDB)		D272 R273 I274 A276 A308
Binding residue
(residue number reindexed from 1)		D273 R274 I275 A277 A309
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.45: 2-dehydro-3-deoxygluconokinase.
Gene Ontology
Molecular Function
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0016310 phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:3ktn, PDBe:3ktn, PDBj:3ktn
PDBsum3ktn
PubMed
UniProtQ837J7

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