Structure of PDB 4hse Chain A Binding Site BS02

Receptor Information
>4hse Chain A (length=369) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NALEQYGIDLTRLAAEGKLDPVIGRDEEIRRVIQILLRRTKNNPVLIGEP
GVGKTAIVEGLAQRIVKGDVPEGLKGKRIVSLQMGSLLAGAKYRGEFEER
LKAVIQEVVQSQGEVILFIDELHTVVGAVDAGNMLKPALARGELRLIGAT
TLDEYREIEKDPALERRFQPVYVDEPTVEETISILRGLKEKYEVHHGVRI
SDSAIIAAATLSHRYITERRLPDKAIDLIDEAAARLRMALESAPEEIDAL
ERKKLQLEIEREALSQERLKAIEAEIAKLTEEIAKLRAEWEREREILRKL
REAQHRLDEVRREIELAERQYDLNRAAELRYGELPKLEAEVEALSEKLRG
ARFVRLEVTEEDIAEIVSR
Ligand information
Ligand IDCL
InChIInChI=1S/ClH/h1H/p-1
InChIKeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cl-]
FormulaCl
NameCHLORIDE ION
ChEMBL
DrugBankDB14547
ZINC
PDB chain4hse Chain A Residue 603 [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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PDB4hse The molecular mechanism of hsp100 chaperone inhibition by the prion curing agent guanidinium chloride.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R180 R214
Binding residue
(residue number reindexed from 1)		R30 R64
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:4hse, PDBe:4hse, PDBj:4hse
PDBsum4hse
PubMed23341453
UniProtQ9RA63|CLPB_THET8 Chaperone protein ClpB (Gene Name=clpB)

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