Structure of PDB 8db9 Chain B Binding Site BS02

Receptor Information

>8db9 Chain B (length=304) Species: 5722 (Trichomonas vaginalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKLWIDTDCGIDDATAILICLANPSIEIVGISCIGGNASLQNVIRNVNRT
LKVWGKTDIPIFGGCQAPLVQPKMEIPHIHGGDGLGDINDNDFGTNTPNK
LEKEHAVNALIHAANTIEDLNILCLAPLTNIAIALSMAPEAILKIKHFYI
MGGAENGKGNITPYGEFNWRADPEAAQIVLQTYPQYQTTIASWTLAVFNS
FNANDYDFFNLDGNLVRRFIRETWKPIIAFDGGRICPADPLAAFIAVYGD
RAIKRAERLHLSMVLEGEKLGMSLAEPDEKGCLVVKECDAELFVKILREL
QDHQ

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

8db9 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8db9 Structure-Guided Insight into the Specificity and Mechanism of a Parasitic Nucleoside Hydrolase.
Resolution	2.89 Å
Binding residue (original residue number in PDB)	D8 D13 N37 L125 D239
Binding residue (residue number reindexed from 1)	D8 D13 N37 L125 D239
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0008477	purine nucleosidase activity
GO:0016787	hydrolase activity
GO:0016799	hydrolase activity, hydrolyzing N-glycosyl compounds
GO:0046872	metal ion binding

	Biological Process
GO:0006139	nucleobase-containing compound metabolic process
GO:0006152	purine nucleoside catabolic process

	Cellular Component
GO:0005829	cytosol

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Cellular Component

External links

PDB	RCSB:8db9, PDBe:8db9, PDBj:8db9
PDBsum	8db9
PubMed	35994320
UniProt	A2EYV3

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