Structure of PDB 7nl1 Chain E Binding Site BS02

Receptor Information
>7nl1 Chain E (length=389) Species: 508771 (Toxoplasma gondii ME49) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVKAGDWLPGFTPREETVYVHGGVEPDPLTGAILPPIYQNTTFVQESVEN
YLSKGFSYSRTSNPTVLSLEKKIAEIEGGFGACCFATGMAATVTIFSAFL
APGDHCLVTNCSYGGTNRCARLHFSKYNIDFEFIDFRDPTNVEKAIRPQT
KVVFSESPCNPTLYLADIEAISQICKEKKVLHVCDSTFATPYMMRPLDLG
ADIVVQSTTKYYDGHNCTLGGAVISSTKEIHDKVFFLRNVMGNIMSAQTA
FYTLLTLKTLPIRVEKQSANAQKIAEFLSKHHKVEHVIYPGIPSFPQKEL
ALKQHKNVHGGMLAFEVKGGTEAGIRMMNHVPRPWSLCENLGACESIITC
PAVFDRLKVGITDGFIRVSVGIEDVNDLIDGLDYALSKA
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 chain7nl1 Chain F Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nl1 Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Resolution2.331 Å
Binding residue
(original residue number in PDB)		Y78 R80
Binding residue
(residue number reindexed from 1)		Y58 R60
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:7nl1, PDBe:7nl1, PDBj:7nl1
PDBsum7nl1
PubMed36883335
UniProtA0A125YN40

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