Structure of PDB 3l8a Chain B Binding Site BS01

Receptor Information
>3l8a Chain B (length=385) Species: 210007 (Streptococcus mutans UA159) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RYDFTTRPDRLNQFTYKWKTSENNPELLQMWVADMDFLPVPEIKEAIINY
GREHIFGYNYFNDDLYQAVIDWERKEHDYAVVKEDILFIDGVVPAISIAL
QAFSEKGDAVLINSPVYYPFARTIRLNDHRLVENSLQIINGRFEIDFEQL
EKDIIDNNVKIYLLCSPHNPGGRVWDNDDLIKIAELCKKHGVILVSDEIH
QDLALFGNTHHSLNTLDASYKDFTIILSSATKTFNIAGTKNSFAIIQNES
LRRKFQYRQLANNQHEVPTVGMIATQAAFQYGKPWLEELKTVIEGNIKLV
IKELEAKTKIKVMEPEGTYLVWLDFSAYAIAQPQLSEKLQNEAKVVLNDG
AHFGKEGKYFARLNVATPKNTVQEALSRIISVFGK
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 B Residue 388 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		G91 V92 V93 Y117 D197 I199 H200 K232
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

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

[Back to BioLiP]