Structure of PDB 6cjl Chain B Binding Site BS02

Receptor Information
>6cjl Chain B (length=212) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGETHEFTAEISQLMSLIINTVYSNKEIFLRELISNASDALDKIRYQALS
DPSQLESEPELFIRIIPQKDQKVLEIRDSGIGMTKADLVNNLGTIAKSGT
KSFMEALSAGADVSMIGQFGVGFYSLFLVADHVQVISKHNDDEQYVWESN
GKFTVTLDETNERLGRGTMLRLFLKEDQLEYLEEKRIKEVVKKHSEFVAY
PIQLVVTKEVEK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6cjl Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cjl Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Resolution1.6972 Å
Binding residue
(original residue number in PDB)		V204 A205
Binding residue
(residue number reindexed from 1)		V198 A199
Annotation score1
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:6cjl, PDBe:6cjl, PDBj:6cjl
PDBsum6cjl
PubMed30679438
UniProtP46598|HSP90_CANAL Heat shock protein 90 homolog (Gene Name=HSP90)

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