Structure of PDB 7pt2 Chain B Binding Site BS05

Receptor Information
>7pt2 Chain B (length=572) Species: 1120948 (Actinomycetospora chiangmaiensis DSM 45062) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RQSVPVASLVAEFLQEHGVDRVFGLQGGHIQPIWDQLARRGVRIVDVRDE
GSAVHMAHAHTELTGQTAVAMVTAGPGVTNTVTAVANASVSRIPLLVIGG
CPPIPQSNMGPLQDIPHTAILEPITRLARTLRSADQVLREFDEAWARASG
DRGEPGPVYLEIPTDVLRRDVPPALQMREHLRAKPKRRPQPHPDDVAAVA
DLIRAAEKPAIISGRGARTTDGTDLVRLLDASGAAYLDTQESRGLVPDSH
PAAVGSARSAVMRDTDLLITVGRQLDYQLGMGSPAVFPHAKVVRIADTAS
ELIDNRRGEVEILAEPGAALAAIADALKDHTPDTSWRDELKAKHRKRAED
YRQALHSTENGADGHIHPNRIFGALDALDGDVLDLGETIMIADGGDLLSF
GRLGITKARRYLDAGAFGCLGVATPFAIGAALAYPDRPVVAVTGDGAFGI
TATEIDTAVRHDAKIVVIVSNNRAWNIQRYDQAENYGLVVGTDLADSDYA
GVARAFGAHGERVTDPAELEGAIRRALANAPALVDVVTTQDAASPDSGKG
LGFVPDYQALTPWNDAEVARRQ
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 chain7pt2 Chain B Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pt2 Mechanistic details of the actinobacterial lyase-catalyzed degradation reaction of 2-hydroxyisobutyryl-CoA.
Resolution1.762 Å
Binding residue
(original residue number in PDB)		D460 N487 A489
Binding residue
(residue number reindexed from 1)		D445 N472 A474
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.-.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0003984 acetolactate synthase activity
GO:0016829 lyase activity
GO:0030976 thiamine pyrophosphate binding
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0009097 isoleucine biosynthetic process
GO:0009099 L-valine biosynthetic process
Cellular Component
GO:0005948 acetolactate synthase complex

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Biological Process
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Cellular Component
External links
PDB RCSB:7pt2, PDBe:7pt2, PDBj:7pt2
PDBsum7pt2
PubMed34952003
UniProtP0DUV9|HACL_ACTC0 2-hydroxyacyl-CoA lyase

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