Structure of PDB 6ovt Chain D Binding Site BS02

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 IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6ovt Chain D Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		C64 G97 C137 D138 A213 C214
Binding residue
(residue number reindexed from 1)		C51 G84 C124 D125 A200 C201
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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