Structure of PDB 8jzg Chain A Binding Site BS04

Receptor Information
>8jzg Chain A (length=385) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQPTAVRLFTSESVTEGHPDKICDAISDTILDALLEKDPQSRVAVETVVT
TGIVHVVGEVRTSAYVEIPQLVRNKLIEIGFNSSEVGFDGRTCGVSVSIG
EQEDDRAGAGDQGLMFGYATNETEEYMPLPIALAHRLSRRLTQVRKEGIV
PHLRPDGKTQVTFAYDAQDRPSHLDTVVISTQHDPEVDRAWLETQLREHV
IDWVIKDAGIEDLATGEITVLINPSGSFILGGPMGDAGLTGRKIIVDTYG
GMARHGGGAFSGKDPSKVDRSAAYAMRWVAKNIVAAGLADRAEVQVAYAI
GRAKPVGLYVETFDTNKEGLSDEQIQAAVLEVFDLRPAAIIRELDLLRPI
YADTAAYGHFGRTDLDLPWEAIDRVDELRAALKLA
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain8jzg Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8jzg Structural and Biochemical Studies on Product Inhibition of S-Adenosylmethionine Synthetase from Corynebacterium glutamicum.
Resolution2.39 Å
Binding residue
(original residue number in PDB)		H56 S97
Binding residue
(residue number reindexed from 1)		H55 S96
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.6: methionine adenosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004478 methionine adenosyltransferase activity
GO:0005524 ATP binding
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006556 S-adenosylmethionine biosynthetic process
GO:0006730 one-carbon metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8jzg, PDBe:8jzg, PDBj:8jzg
PDBsum8jzg
PubMed37846083
UniProtQ9K5E4|METK_CORGL S-adenosylmethionine synthase (Gene Name=metK)

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