Structure of PDB 4iyn Chain B Binding Site BS02

Receptor Information
>4iyn Chain B (length=609) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLHNIITDTENVQGSFSKHEFQAETKKLLDIVARSLYSEKEVFIRELISN
GSDALEKLRHRMITTAPMEIHLQTDSVKGTFTIQDTGVGMNKEDLVSNLG
TIARSGSKAFLDALQASSSIIGQFGVGFYSAFMVADKVEVYSQSAEADAP
GYKWSSDGSGVFEVAEASGVRQGTKIVLHLKDDCKEFSSEDRVKEVVTKY
SNFVSFPIFLNGRRLNTLQALWMMEPKDISEWQHEEFYRYVAQAYDKPRY
TLHYRADAPLNIRSIFYVPEMKPSMFDVSREMSSVALYSRKILIQTDILP
KWLRFLRGVVDSEDIPLNLSRELLQESALIRKLRDVLQQRVIRFLLDQSK
KDPEKYARFFEDYGLFMREGIVTTGEQSVKEDIAKLLRFESSALPAGQQT
SLMEYSSRMKAGTRNIYYLCAPNRHLAEHSPYFEAMKQKDMEVLFCFEQF
DELTLLHLREFDRKKLISAETDIVVDHYKEEKFQDSKPASERLSSEQAED
LLAWMRNALVQRVTNIKVTPRLDTHPAMITVLEMGAARHFLRTILQPTLE
INTGHDLIKKLHALKDSNPELAQLLLEQIYDNAMIAAGLNEDPRPMISRL
NQLLTRALE
Ligand information
Ligand IDALF
InChIInChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4
InChIKeyUYOMQIYKOOHAMK-UHFFFAOYSA-J
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		F[Al-](F)(F)F
FormulaAl F4
NameTETRAFLUOROALUMINATE ION
ChEMBL
DrugBankDB04444
ZINC
PDB chain4iyn Chain B Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4iyn Structural asymmetry in the closed state of mitochondrial Hsp90 (TRAP1) supports a two-step ATP hydrolysis mechanism.
Resolution2.312 Å
Binding residue
(original residue number in PDB)		E130 G214 F216 G217 V218 G219 R417
Binding residue
(residue number reindexed from 1)		E46 G122 F124 G125 V126 G127 R321
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005509 calcium ion binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0019901 protein kinase binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0051082 unfolded protein binding
GO:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0006457 protein folding
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4iyn, PDBe:4iyn, PDBj:4iyn
PDBsum4iyn
PubMed24462206
UniProtA8WFV1

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