Structure of PDB 6xwl Chain F Binding Site BS01

Receptor Information
>6xwl Chain F (length=474) Species: 508771 (Toxoplasma gondii ME49) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADGPYSGILDSVLDAIGNTPMVRMKRLAKVYGLECDLLAKCEFMSAGGSV
KDRIGKAMVEKAEREGRLKAGDTLIEPTSGNTGIGLALAAAVRGYRMIVT
MPAKMSAEKSNIMKCLGAEIVRTPTEAAWNDENSHMGVAAKLQRELENAH
ILDQYNNTANPMVHYDVTAEEIITQCDGDIDMVVIGAGTGGTITGIGRKI
KERCPKCKVVGVDPKGSILAVPDSLNDEKRLQSYEVEGIGYDFVPGVLDR
KVVDEWVKVGDAESFTTARAIIRNEGLFVGGSSGANVWGALQAARQLKKG
QKCVVLLPDSSRNYMSKFISDEWMAEHGFAPEDGAKVKEREKQFGGARIR
DLLSETGATSDVPFVTARLSVEDVIKMMHETKVKEVIVTEDKLVGVLSED
HIAHSLQSGRCAMQSPVKDIAFKKLAKALPSAYLRDVAKALDFSPYVCVM
DEECPHFLGVITRIDLLHWLATKQ
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 chain6xwl Chain F Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xwl Structural insight into the unique conformation of cystathionine beta-synthase from Toxoplasma gondii .
Resolution3.201 Å
Binding residue
(original residue number in PDB)		K56 N86 G193 T194 G195 T197 G243 S287 P313 D314
Binding residue
(residue number reindexed from 1)		K51 N81 G188 T189 G190 T192 G238 S282 P308 D309
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.22: cystathionine beta-synthase.
Gene Ontology
Molecular Function
GO:0004122 cystathionine beta-synthase activity
GO:0016829 lyase activity
Biological Process
GO:0006534 cysteine metabolic process
GO:0006535 cysteine biosynthetic process from serine
GO:0009069 serine family amino acid metabolic process
GO:0019343 cysteine biosynthetic process via cystathionine
GO:0019344 cysteine biosynthetic process
GO:0044272 sulfur compound biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6xwl, PDBe:6xwl, PDBj:6xwl
PDBsum6xwl
PubMed34194677
UniProtA0A125YSJ9

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