Structure of PDB 8jzg Chain D Binding Site BS06

Receptor Information
>8jzg Chain D (length=387) 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
EQVEEDDRAGAGDQGLMFGYATNETEEYMPLPIALAHRLSRRLTQVRKEG
IVPHLRPDGKTQVTFAYDAQDRPSHLDTVVISTQHDPEVDRAWLETQLRE
HVIDWVIKDAGIEDLATGEITVLINPSGSFILGGPMGDAGLTGRKIIVDT
YGGMARHGGGAFSGKDPSKVDRSAAYAMRWVAKNIVAAGLADRAEVQVAY
AIGRAKPVGLYVETFDTNKEGLSDEQIQAAVLEVFDLRPAAIIRELDLLR
PIYADTAAYGHFGRTDLDLPWEAIDRVDELRAALKLA
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain8jzg Chain D Residue 503 [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)		V61 R62 T63 S64 A65 Y66 V67 I69 I100 Q103
Binding residue
(residue number reindexed from 1)		V60 R61 T62 S63 A64 Y65 V66 I68 I99 Q102
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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