Structure of PDB 6ovt Chain D Binding Site BS01

Receptor Information
>6ovt Chain D (length=560) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VADIKPRSRDVTDGLEKAAARGMLRAVGMDDEDFAKPQIGVASSWNEITP
CNLSLDRLANAVKEGVFSAGGYPLEFGTISVSDGISMGHEGMHFSLVSRE
VIADSVEVVMQAERLDGSVLLAGCDKSLPGMLMAAARLDLAAVFLYAGSI
LPGRAKLSDGSERDVTIIDAFEAVGACSRGLMSRADVDAIERAICPGEGA
CGGMYTANTMASAAEALGMSLPGSAAPPATDRRRDGFARRSGQAVVELLR
RGITARDILTKEAFENAIAVVMAFGGSTNAVLHLLAIAHEANVALSLQDF
SRIGSGVPHLADVKPFGRHVMSDVDHIGGVPVVMKALLDAGLLHGDCLTV
TGHTMAENLAAITPPDPDGKVLRALANPIHPSGGITILHGSLAPEGAVVK
TAGSDVFEGTARVFDGERAALDALEDGTITVGDAVVIRYEGPKGGPGMRE
MLAITGAIKGAGLGKDVLLLTDGRFSGGTTGLCVGHIAPEAVDGGPIALL
RNGDRIRLDVAGRVLDVLADPAEFASRQQDFSPPPPRYTTGVLSKYVKLV
SSAAVGAVCG
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 chain6ovt Chain D Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ovt The active site of theMycobacterium tuberculosisbranched-chain amino acid biosynthesis enzyme dihydroxyacid dehydratase contains a 2Fe-2S cluster.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		D96 D138 K139
Binding residue
(residue number reindexed from 1)		D83 D125 K126
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.9: dihydroxy-acid dehydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004160 dihydroxy-acid dehydratase activity
GO:0005515 protein binding
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
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
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ovt, PDBe:6ovt, PDBj:6ovt
PDBsum6ovt
PubMed31315931
UniProtP9WKJ5|ILVD_MYCTU Dihydroxy-acid dehydratase (Gene Name=ilvD)

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