Structure of PDB 8oru Chain CCC Binding Site BS04

Receptor Information
>8oru Chain CCC (length=459) Species: 523846 (Methanothermus fervidus DSM 2088) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GETKKMICLVDGEHYFPVVKDSIEILDDLEHIDVVAVVFIGGTEKLQIED
PKEYSEKLGKPVFFGPDPKKIPYDVIKKCVKKYNADIVMDLSDEPVVDYT
KRFRIASIVLKEGAVYQGADFKFEPLTEYDVLEKPSIKIIGTGKRIGKTA
VSAYAARVIHKHKYNPCVVAMGRGGPREPEIVEGNKIEITAEYLLEQADK
GVHAASDHWEDALMSRILTVGCRRCGGGMLGDTFITNVKRGAEIANKLDS
DFVIMEGSGAAIPPVKTNRQIVTVGANQPMININNFFGPFRIGLADLVII
TMCEEPMATTEKIKKVEKFIKEINPSANVIPTVFRPKPVGNVEGKKVLFA
TTAPKVVVGKLVNYLESKYGCDVVGVTPHLSNRPLLRRDLKKYINKADLM
LTELKAAAVDVATRVAIEAGLDVVYCDNIPVVIDESYGNIDDAIIEVVEM
AIDDFKNNR
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 chain8oru Chain CCC Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8oru Structural characterization of a novel cyclic 2,3-diphosphoglycerate synthetase involved in extremolyte production in the archaeon Methanothermus fervidus
Resolution2.23 Å
Binding residue
(original residue number in PDB)		D28 L30 I33
Binding residue
(residue number reindexed from 1)		D27 L29 I32
Annotation score1
Enzymatic activity
Enzyme Commision number 6.5.1.9: cyclic 2,3-diphosphoglycerate synthase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0036356 cyclic 2,3-diphosphoglycerate synthetase activity
Biological Process
GO:0006094 gluconeogenesis
GO:1901369 cyclic 2,3-bisphospho-D-glycerate biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8oru, PDBe:8oru, PDBj:8oru
PDBsum8oru
PubMed38045033
UniProtO93732|CPGS_METFV Cyclic 2,3-diphosphoglycerate synthetase (Gene Name=cpgS)

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