Structure of PDB 5wmt Chain C Binding Site BS01

Receptor Information

>5wmt Chain C (length=212) Species: 9615 (Canis lupus familiaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDE
NALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIAKSGTSE
FGQSTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVI
ADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWS
SKTTVWDWELMN

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

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

Formula

Name

MAGNESIUM ION

PDB chain

5wmt Chain C Residue 405 [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	5wmt Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
Resolution	2.748 Å
Binding residue (original residue number in PDB)	W282 W331
Binding residue (residue number reindexed from 1)	W199 W206
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0005524	ATP binding
GO:0016887	ATP hydrolysis activity
GO:0051082	unfolded protein binding
GO:0140662	ATP-dependent protein folding chaperone

	Biological Process
GO:0006457	protein folding

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Molecular Function

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Biological Process

External links

PDB	RCSB:5wmt, PDBe:5wmt, PDBj:5wmt
PDBsum	5wmt
PubMed	29528635
UniProt	P41148\|ENPL_CANLF Endoplasmin (Gene Name=HSP90B1)

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