Structure of PDB 3hek Chain B

Receptor sequence
>3hekB (length=223) Species: 9606 (Homo sapiens) [Search protein sequence]
DQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDK
IRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLG
TIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDE
QYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVK
KHSQFIGYPITLFVEKELEHHHH
3D structure
PDB3hek Solution-phase parallel synthesis of Hsp90 inhibitors
ChainB
Resolution1.95 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 BD0 B N51 A55 D93 I96 G97 M98 N106 L107 G135 V136 F138 Y139 T184 N43 A47 D85 I88 G89 M90 N98 L99 G127 V128 F130 Y131 T176 MOAD: Ki=5.4nM
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

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:3hek, PDBe:3hek, PDBj:3hek
PDBsum3hek
PubMed19583220
UniProtP07900|HS90A_HUMAN Heat shock protein HSP 90-alpha (Gene Name=HSP90AA1)

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