Structure of PDB 8bis Chain A Binding Site BS02

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 ID2AG
InChIInChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m0/s1
InChIKeyWNNNWFKQCKFSDK-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C=CCC(C(=O)O)N
OpenEye OEToolkits 1.7.2C=CC[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CC=C)C(O)=O
CACTVS 3.370N[CH](CC=C)C(O)=O
ACDLabs 12.01O=C(O)C(N)C/C=C
FormulaC5 H9 N O2
Name(2S)-2-aminopent-4-enoic acid;
L-allylglycine
ChEMBLCHEMBL1229875
DrugBank
ZINCZINC000001696507
PDB chain8bis Chain A Residue 501 [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)		Y133 K230 E359 R395
Binding residue
(residue number reindexed from 1)		Y112 K209 E338 R374
Annotation score2
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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