Structure of PDB 6oiu Chain A Binding Site BS01

Receptor Information
>6oiu Chain A (length=890) Species: 508771 (Toxoplasma gondii ME49) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVEKHRLDYKPTDFLIDFVDLDFDLYDDRTKVTSTLTMHRREQTPPTDLV
LDGEDLELESVELDGNALSMHSTETQKGDKRVYSLDVDGRLVIAADLLPQ
EAEKKFKVKTVVYVRPKENLQLMGLYKSGALLVTQCEAEGFRRITYFLDR
PDVMSLFKVRLAADEKACPVLLSNGNMVESGKVEGEKGRHFAVFEDPFQK
PCYLFALVAGDLKSISQSFTTMSGRNVKVSIFSEPEDSSKLTWALESVLK
SMKWDEERFGREYDLDVFNVVCAKDFNMGAMENKGLNIFNAALLLADPST
TTDAEYQRILNVVGHEYFHQWTGNRVTCRDWFQLTLKEGLTVFRDQLFTA
DMCSAAVKRIEDVVFLRSRQFAEDSGPMAHPIRPETYIAMDNFYTATVYD
KGAEVIRMYHTLLGEAGFRKGMDLYFKRHDGKAVTCDDFRAAMADANGRD
LGQFERWYLQAGTPEVTVSEAVFQPDRKKFKLTLKQRTPPTPGQVEKHPF
HIPIKVGLIGKTSKKDILSPPTKVLELTEAEQTFELDAAEDCVLSFLRDF
SAPVKVKHEQTDEDIAFLMAHDSDDFAKWQAAHTLASGLLKHRAEQWREK
QGEDVEFARLPKIYVEAFKQTLLEQGRDRSIQAYTLRLPDRDGVAQEMEP
IDPLALKEATESVRREVGQLLKSDLLKVYASLSAESRDQSEVSRRRLRNV
ILYFLTGERDKEAAALAMNHFKSAKGMTEKYAALSILCDIEGPERTAALE
QFYRDAKGDPLVLDKWFAVQALSDVRQVTETVKELQKHADFTAKNPNRLR
ALIFSFTRNPQFHNKDGAGYALLADSVLAVDRFNPQIAARGAGAFLQWKK
YDETRQREMLKQLRRIANAPGLSVDTLEIVQKALAGAPEE
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 A Residue 2001 [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]
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)		H315 H319 E338
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) E282 H315 E316 H319 E338 D391 Y399
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

[Back to BioLiP]