Structure of PDB 8biz Chain A Binding Site BS03

Receptor Information
>8biz 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
LKQHKNVHGGMLAFEVKGGTEAGIRMMNHVPRPWSLCESLGACESIITCP
AVFTHANMLREDRLKVGITDGFIRVSVGIEDVNDLIDGLDYALSKA
Ligand information
Ligand IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain8biz 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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PDB8biz Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Resolution1.891 Å
Binding residue
(original residue number in PDB)		Y133 K230 E359 S360 T375 R395
Binding residue
(residue number reindexed from 1)		Y112 K209 E338 S339 T354 R374
Annotation score5
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:8biz, PDBe:8biz, PDBj:8biz
PDBsum8biz
PubMed36883335
UniProtB6K8Y1

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