Structure of PDB 3l8a Chain A Binding Site BS01

Receptor Information
>3l8a Chain A (length=382) Species: 210007 (Streptococcus mutans UA159) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YDFTTRPDRLNQFTYKWKTSENNPELLQMWVADMDFLPVPEIKEAIINYG
REHIFGYNYFNDDLYQAVIDWERKEHDYAVVKEDILFIDGVVPAISIALQ
AFSEKGDAVLINSPVYYPFARTIRLNDHRLVENSLQIINGRFEIDFEQLE
KDIIDNNVKIYLLCSPHNPGGRVWDNDDLIKIAELCKKHGVILVSDEIHQ
DLALFGNTHHSLNTLDASYKDFTIILSSATKTFNIAGTKNSFAIIQNESL
RRKFQYRQLANNQHEVPTVGMIATQAAFQYGKPWLEELKTVIEGNIKLVI
KELEAKTKIKVMEPEGTYLVWLDFSAYAIAQPQLSEKLQNEAKVVLNDGA
HFGKEGKYFARLNVATPKNTVQEALSRIISVF
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain3l8a Chain A Residue 388 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3l8a Crystal structure of MetC from Streptococcus mutans
Resolution1.539 Å
Binding residue
(original residue number in PDB)		G93 V94 V95 Y119 D199 I201 H202 K234
Binding residue
(residue number reindexed from 1)		G90 V91 V92 Y116 D196 I198 H199 K231
Annotation score1
Enzymatic activity
Enzyme Commision number 4.4.1.13: cysteine-S-conjugate beta-lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3l8a, PDBe:3l8a, PDBj:3l8a
PDBsum3l8a
PubMed
UniProtQ8DST5

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