Structure of PDB 6oiu Chain D Binding Site BS01

Receptor Information
>6oiu Chain D (length=886) Species: 508771 (Toxoplasma gondii ME49) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKHRLDYKPTDFLIDFVDLDFDLYDDRTKVTSTLTMHRREQTPPTDLVLD
GEDLELESVELDGNALSMHSTETQKAGDRVYSLDVDGRLVIAADLLPQEA
EKKFKVKTVVYVRPKENLQLMGLYKSGALLVTQCEAEGFRRITYFLDRPD
VMSLFKVRLAADEKACPVLLSNGNMVESGKVEGEKGRHFAVFEDPFQKPC
YLFALVAGDLKSISQSFTTMSGRNVKVSIFSEPEDSSKLTWALESVLKSM
KWDEERFGREYDLDVFNVVCAKDFNMGAMENKGLNIFNAALLLADPSTTT
DAEYQRILNVVGHEYFHQWTGNRVTCRDWFQLTLKEGLTVFRDQLFTADM
CSAAVKRIEDVVFLRSRQFAEDSGPMAHPIRPETYIAMDNFYTATVYDKG
AEVIRMYHTLLGEAGFRKGMDLYFKRHDGKAVTCDDFRAAMADANGRDLG
QFERWYLQAGTPEVTVSEAVFQPDRKKFKLTLKQRTPPTPGQVEKHPFHI
PIKVGLIGKTSKKDILSPPTKVLELTEAEQTFELDAAEDCVLSFLRDFSA
PVKVKHEQTDEDIAFLMAHDSDDFAKWQAAHTLASGLLKHRAEQWREKQG
EDVEFARLPKIYVEAFKQTLLEQGDRSIQAYTLRLPDRDGVAQEMEPIDP
LALKEATESVRREVGQLLKSDLLKVYASLSAESRDQSEVSRRRLRNVILY
FLTGERDKEAAALAMNHFKSAKGMTEKYAALSILCDIEGPERTAALEQFY
RDAKGDPLVLDKWFAVQALSDVRQVTETVKELQKHADFTAKNPNRLRALI
FSFTRNPQFHNKDGAGYALLADSVLAVDRFNPQIAARGAGAFLQWKKYDE
TRQREMLKQLRRIANAPGLSVDTLEIVQKALAGAPE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6oiu Chain D Residue 1501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6oiu X-ray crystal structure and specificity of the Toxoplasma gondii ME49 TgAPN2.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H835 H839 E858
Binding residue
(residue number reindexed from 1)		H313 H317 E336
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E802 H835 E836 H839 E858 D911 Y919
Catalytic site (residue number reindexed from 1) E280 H313 E314 H317 E336 D389 Y397
Enzyme Commision number 3.4.11.2: membrane alanyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6oiu, PDBe:6oiu, PDBj:6oiu
PDBsum6oiu
PubMed32926129
UniProtS8G5K8

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