Structure of PDB 8jzg Chain A Binding Site BS01

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 IDADN
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
FormulaC10 H13 N5 O4
NameADENOSINE
ChEMBLCHEMBL477
DrugBankDB00640
ZINCZINC000002169830
PDB chain8jzg Chain A Residue 501 [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)		H19 D178 K180 S202 S247 F250 D258
Binding residue
(residue number reindexed from 1)		H18 D156 K158 S180 S225 F228 D236
Annotation score2
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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