Structure of PDB 7pt4 Chain B Binding Site BS02

Receptor Information
>7pt4 Chain B (length=584) Species: 1120948 (Actinomycetospora chiangmaiensis DSM 45062) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARQSVPVASLVAEFLQEHGVDRVFGLQGGHIQPIWDQLARRGVRIVDVRD
EGSAVHMAHAHTELTGQTAVAMVTAGPGVTNTVTAVANASVSRIPLLVIG
GCPPIPQSNMGPLQDIPHTAILEPITRLARTLRSADQVLREFDEAWARAS
GDRGEPGPVYLEIPTDVLRRDVPPALQMREHLRAKPKRRPQPHPDDVAAV
ADLIRAAEKPAIISGRGARTTDGTDLVRLLDASGAAYLDTQESRGLVPDS
HPAAVGSARSAVMRDTDLLITVGRQLDYQLGMGSPAVFPHAKVVRIADTA
SELIDNRRGEVEILAEPGAALAAIADALKDHTPDTSWRDELKAKHRKRAE
DYRQALHSTENGADGHIHPNRIFGALDALDGDVLDLGETIMIADGGDLLS
FGRLGITKARRYLDAGAFGCLGVATPFAIGAALAYPDRPVVAVTGDGAFG
ITATEIDTAVRHDAKIVVIVSNNRAWNIERYDQAENYGLVVGTDLADSDY
AGVARAFGAHGERVTDPAELEGAIRRALANAPALVDVVTTQDAASPDSGK
GLGFVPDYQALTPWNDAEVARRQEGIGSAWSHPQ
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 chain7pt4 Chain B Residue 709 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7pt4 Mechanistic details of the actinobacterial lyase-catalyzed degradation reaction of 2-hydroxyisobutyryl-CoA.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		D460 N487 A489
Binding residue
(residue number reindexed from 1)		D446 N473 A475
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7pt4, PDBe:7pt4, PDBj:7pt4
PDBsum7pt4
PubMed34952003
UniProtP0DUV9|HACL_ACTC0 2-hydroxyacyl-CoA lyase

[Back to BioLiP]