Structure of PDB 7r3b Chain A Binding Site BS02

Receptor Information
>7r3b Chain A (length=364) Species: 1590 (Lactiplantibacillus plantarum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERHLFTSESVSEGHPDKIADQISDAILDAMLAQDPQARVAVETSVTTGLV
LVFGEVSTKAYVDIQKVVRDTIKSIGYVDGQYGFDGDNCAVLVSLDEQSD
QGMMFGYAINETPELMPLPIALSHRLMRKIAALRKDGTIKWLRPDAKAQV
TVEYDEDNQPKRIDTVVLSTQHDPDVDLDTIRQTVIDQVIKAVLPADLLD
DQTKYLVNPTGRFVIGGPQGDAGLTGRKVIVDTYGGFAHHGGGAFSGKDA
TKVDRSASYAARYIAKNVVAAGLADQVEVQLAYAIGVAEPVSIAVDTAGT
GKVSDEALINAIRENFDLRPAGIIKMLDLQRPIYRQTAAYGHFGRTDIDL
PWEHTDKVDALKAA
Ligand information
Ligand IDPPK
InChIInChI=1S/H6NO9P3/c2-11(3,4)1-12(5,6)10-13(7,8)9/h(H2,7,8,9)(H4,1,2,3,4,5,6)
InChIKeyPELPUMGXMYVGSQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(OP(=O)(O)O)(O)NP(=O)(O)O
OpenEye OEToolkits 1.5.0N(P(=O)(O)O)P(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O
CACTVS 3.341O[P](O)(=O)N[P@@](O)(=O)O[P](O)(O)=O
FormulaH6 N O9 P3
Name(DIPHOSPHONO)AMINOPHOSPHONIC ACID
ChEMBL
DrugBankDB03075
ZINC
PDB chain7r3b Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7r3b Evolution of homo-oligomerization of methionine S-adenosyltransferases is replete with structure-function constrains.
Resolution2.82 Å
Binding residue
(original residue number in PDB)		D18 K176 R256 K257
Binding residue
(residue number reindexed from 1)		D16 K147 R227 K228
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:7r3b, PDBe:7r3b, PDBj:7r3b
PDBsum7r3b
PubMed35762725
UniProtQ88XB8|METK_LACPL S-adenosylmethionine synthase (Gene Name=metK)

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