Structure of PDB 8g1y Chain B Binding Site BS01

Receptor Information
>8g1y Chain B (length=495) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMTLVYQSTRDANNTVTASQAILQGLATDGGLFTPDTYPKVDLNFDKLKD
ASYQEVAKLVLSAFLDDFTVEELDYCINNAYDSKFDTPAIAPLVKLDGQY
NLELFHGSTIAFKDMALSILPYFMTTAAKKHGLENKIVILTATSGDTGKA
AMAGFANVPGTEIIVFYPKDGVSKIQELQMTTQTGDNTHVIAIDGNFDDA
QTNVKHMFNDVALREKLTTNKLQFSSANSMNIGRLVPQIVYYVYAYAQLV
KTGEIVAGEKVNFTVPTGNFGNILAAFYAKQIGLPVGKLICASNDNNVLT
DFFKTRVYDKKREFKVTTSPSMDILVSSNLERLIFHLLGNNAEKTTELMN
ALNTQGQYKLTDFDAEILDLFAAEYATEEETAAEIKRVCELDSYIEDPHT
AVASAVYKKYQSATGDVTKTVIASTASPYKFPVVAVEAVTGKAGLTDFEA
LAQLHEISGVAVPPAVDGLEIAPIRHKTTVAAADMQAAVEAYLGL
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 chain8g1y Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8g1y Crystal Structure of the Threonine Synthase from Streptococcus pneumoniae in complex with Pyridoxal 5-phosphate.
Resolution1.43 Å
Binding residue
(original residue number in PDB)		F111 K112 D145 T266 G267 N268 F269 N271 S320 H398 T424
Binding residue
(residue number reindexed from 1)		F112 K113 D146 T267 G268 N269 F270 N272 S321 H399 T425
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.3.1: threonine synthase.
Gene Ontology
Molecular Function
GO:0004795 threonine synthase activity
GO:0016829 lyase activity
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:8g1y, PDBe:8g1y, PDBj:8g1y
PDBsum8g1y
PubMed
UniProtA0A0H2US33

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