Structure of PDB 4r5j Chain C Binding Site BS02

Receptor Information
>4r5j Chain C (length=224) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHIEVLLLDVTPLSLGIETMGGVMTTLIAKNTTIPTKHSQVFSTAEDNQ
SAVTIHVLQGERKRAADNKSLGQFNLDGINPAPRGMPQIEVTFDIDADGI
LHVSAKDKNSGKEQKITIKASSGLNEDEIQKMVRDAEANAEADRKFEELV
QTRNQGDHLLHSTRKQVEEAGDKLPADDKTAIESALTALETALKGEDKAA
IEAKMQELAQVSQKLMEIAQQQHA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4r5j Chain C Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4r5j Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket.
Resolution2.361 Å
Binding residue
(original residue number in PDB)		H386 I387
Binding residue
(residue number reindexed from 1)		H3 I4
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0140662 ATP-dependent protein folding chaperone

View graph for
Molecular Function
External links
PDB RCSB:4r5j, PDBe:4r5j, PDBj:4r5j
PDBsum4r5j
PubMed25148104
UniProtP0A6Y8|DNAK_ECOLI Chaperone protein DnaK (Gene Name=dnaK)

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