Structure of PDB 3h80 Chain A Binding Site BS01

Receptor Information
>3h80 Chain A (length=214) Species: 347515 (Leishmania major strain Friedlin) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYFQGMTETFAFQAEINQLMSLIINTFYSNKEIFLRELISNASDACDKI
RYQSLTDPSVLGESPRLCIRVVPDKENKTLTVEDNGIGMTKADLVNNLGT
IARSGTKAFMEALEAGGDMSMIGQFGVGFYSAYLVADRVTVTSKNNSDES
YVWESSAGGTFTITSTPESDMKRGTRITLHLKEDQMEYLEPRRLKELIKK
HSEFIGYDIELMVE
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 chain3h80 Chain A Residue 222 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3h80 Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E143 S159 T160 S163
Binding residue
(residue number reindexed from 1)		E149 S165 T166 S169
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:3h80, PDBe:3h80, PDBj:3h80
PDBsum3h80
PubMed
UniProtQ4Q4I6

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