Structure of PDB 6deq Chain A Binding Site BS02

Receptor Information
>6deq Chain A (length=601) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKKEQLMDDSFIGLTGGEIFHEMMLRHKVDTVFGYAGGAILPVFDAIYNS
DKFKFVLPRHEQGAGHMAEGYARASGKPGVVLVTSGPGATNVITPMADAL
MDGVPLVVFSGQVPTTAIGTDAFQEADIVGISRSCTKWNVMVKNVAELPR
RINEAFEIATTGRPGPVLVDLPKDVTASILRESIPINTTLPSNAVSEFTS
EAIKRAANILNKAKKPIIYAGAGILNNEQGPKLLKELADKANIPVTTTLQ
GLGAFDQRDPKSLDMLGMHGSAAANTAIQNADCIIALGARFDDRVTGNIS
KFAPEAKLAASEGRGGILHFEISPKNINKVVEATEAIEGDVTANLQSFIP
LVDSIENRPEWFNKINEWKKKYPYSYQLETPGSLIKPQTLIKEISDQAQT
YNKEVIVTTGVGQHQMWAAQHFTWTQPRTMITSGGLGTMGYGLPAAIGAQ
VAKPDAIVIDIDGDASFNMTLTELSSAVQAGAPIKVCVLNNEEQGMVTQW
QSLFYEHRYSHTHQSNPDFMKLAESMNVKGIRITNQQELKSGVKEFLDAT
EPVLLEVIVEKKVPVLPMVPAGKALDDFILWDAEVEKQQNDLRKERTGGK
Y
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 chain6deq Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6deq Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Resolution2.127 Å
Binding residue
(original residue number in PDB)		D546 N573 E575
Binding residue
(residue number reindexed from 1)		D464 N491 E493
Annotation score1
Enzymatic activity
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0003984 acetolactate synthase activity
GO:0016740 transferase activity
GO:0030976 thiamine pyrophosphate binding
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0000463 maturation of LSU-rRNA from tricistronic rRNA transcript (SSU-rRNA, 5.8S rRNA, LSU-rRNA)
GO:0006412 translation
GO:0008652 amino acid biosynthetic process
GO:0009082 branched-chain amino acid biosynthetic process
GO:0009097 isoleucine biosynthetic process
GO:0009099 L-valine biosynthetic process
GO:0030150 protein import into mitochondrial matrix
Cellular Component
GO:0005948 acetolactate synthase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6deq, PDBe:6deq, PDBj:6deq
PDBsum6deq
PubMed30249642
UniProtA0A1D8PJF9

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