Structure of PDB 7nl1 Chain C Binding Site BS01

Receptor Information
>7nl1 Chain C (length=399) Species: 508771 (Toxoplasma gondii ME49) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ECGVKAGDWLPGFTPREETVYVHGGVEPDPLTGAILPPIYQNTTFVQESV
ENYLSKGFSYSRTSNPTVLSLEKKIAEIEGGFGACCFATGMAATVTIFSA
FLAPGDHCLVTNCSYGGTNRCARLHFSKYNIDFEFIDFRDPTNVEKAIRP
QTKVVFSESPCNPTLYLADIEAISQICKEKKVLHVCDSTFATPYMMRPLD
LGADIVVQSTTKYYDGHNCTLGGAVISSTKEIHDKVFFLRNVMGNIMSAQ
TAFYTLLTLKTLPIRVEKQSANAQKIAEFLSKHHKVEHVIYPGIPSFPQK
ELALKQHKNVHGGMLAFEVKGGTEAGIRMMNHVPRPWSLCENLGACESII
TCPAVFTHANMLREDRLKVGITDGFIRVSVGIEDVNDLIDGLDYALSKA
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 C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		G108 M109 Y133 D205 S227 T229 K230
Binding residue
(residue number reindexed from 1)		G90 M91 Y115 D187 S209 T211 K212
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7nl1, PDBe:7nl1, PDBj:7nl1
PDBsum7nl1
PubMed36883335
UniProtA0A125YN40

[Back to BioLiP]