Structure of PDB 4lwi Chain A

Receptor sequence
>4lwiA (length=207) Species: 9606 (Homo sapiens) [Search protein sequence]
VETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTD
PSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTK
AFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSA
GGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGY
PITLFVE
3D structure
PDB4lwi Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
ChainA
Resolution1.7 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 3.6.4.10: non-chaperonin molecular chaperone ATPase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 FJ6 A N51 D54 A55 K58 D93 I96 G97 M98 L107 G108 T109 F138 T184 N35 D38 A39 K42 D77 I80 G81 M82 L91 G92 T93 F122 T168 PDBbind-CN: -logKd/Ki=7.64,IC50=0.023uM
BindingDB: IC50=23nM
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:4lwi, PDBe:4lwi, PDBj:4lwi
PDBsum4lwi
PubMed25313505
UniProtP07900|HS90A_HUMAN Heat shock protein HSP 90-alpha (Gene Name=HSP90AA1)

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