Structure of PDB 8bis Chain A Binding Site BS03

Receptor Information
>8bis Chain A (length=396) Species: 5811 (Toxoplasma gondii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKAGDWLPGFTPREETVYVHGGVEPDPLTGAILPPIYQNTTFVQESVENY
LSKGFSYSRTSNPTVLSLEKKIAEIEGGFGACCFATGMAATVTIFSAFLA
PGDHCLVTNCSYGGTNRCARLHFSKYNIDFEFIDFRDPTNVEKAIRPQTK
VVFSESPCNPTLYLADIEAISQICKEKKVLHVCDSTFATPYMMRPLDLGA
DIVVQSTTKYYDGHNCTLGGAVISSTKEIHDKVFFLRNVMGNIMSAQTAF
YTLLTLKTLPIRVEKQSANAQKIAEFLSKHHKVEHVIYPGIPSFPQKELA
LKQHKNVHGGMLAFEVKGGTEAGIRMMNHVPRPWSLCENLGACESIITCP
AVFTHANMLREDRLKVGITDGFIRVSVGIEDVNDLIDGLDYALSKA
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 chain8bis 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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PDB8bis Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Resolution2.266 Å
Binding residue
(original residue number in PDB)		G108 M109 Y133 D205 T207 S227 T229 K230
Binding residue
(residue number reindexed from 1)		G87 M88 Y112 D184 T186 S206 T208 K209
Annotation score1
Enzymatic activity
Enzyme Commision number 4.4.1.1: cystathionine gamma-lyase.
Gene Ontology
Molecular Function
GO:0004123 cystathionine gamma-lyase activity
GO:0016829 lyase activity
GO:0016846 carbon-sulfur lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0044540 L-cystine L-cysteine-lyase (deaminating)
GO:0080146 L-cysteine desulfhydrase activity
Biological Process
GO:0019346 transsulfuration
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:8bis, PDBe:8bis, PDBj:8bis
PDBsum8bis
PubMed36883335
UniProtB6K8Y1

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