Structure of PDB 7exp Chain B Binding Site BS01

Receptor Information
>7exp Chain B (length=599) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLHNIITDTENVQGSFSKHEFQAETKKLLDIVARSLYSEKEVFIRELISN
GSDALEKLRHRMITTAPMEIHLQTDSVKGTFTIQDTGVGMNKEDLVSNLG
TIARSGSKAFLDSSSIIGQFGVGFYSAFMVADKVEVYSQSAEADAPGYKW
SSDGSGVFEVAEASGVRQGTKIVLHLKDDCKEFSSEDRVKEVVTKYSNFV
SFPIFLNGRRLNTLQALWMMEPKDISEWQHEEFYRYVAQAYDKPRYTLHY
RADAPLNIRSIFYVPEMKPSMFDSVALYSRKILIQTKTDILPKWLRFLRG
VVDSEDIPLNLSRELLQESALIRKLRDVLQQRVIRFLLDQSKKDPEKYAR
FFEDYGLFMREGIVTTGEQSVKEDIAKLLRFESSALPAGQQTSLMEYSSR
MKAGTRNIYYLCAPNRHLAEHSPYFEAMKQKDMEVLFCFEQFDELTLLHL
REFDRKKLISAETDIVVDHYKEEKFQDSKPASERLSSEQAEDLLAWMRNA
LVQRVTNIKVTPRLDTHPAMITVLEMGAARHFLRTQPTLEINTGHDLIKK
LHALKDSNPELAQLLLEQIYDNAMIAAGLNEDPRPMISRLNQLLTRALE
Ligand information
Ligand ID05M
InChIInChI=1S/C37H45O4P/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32/h10-18,21-26,42H,4-9,19-20,27-28H2,1-3H3
InChIKeyBIPKQWZPPRRUAP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccc4
CACTVS 3.385COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCC[PH](c2ccccc2)(c3ccccc3)c4ccccc4
FormulaC37 H45 O4 P
Name2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione
ChEMBL
DrugBank
ZINC
PDB chain7exp Chain A Residue 805 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7exp Mitoquinone Inactivates Mitochondrial Chaperone TRAP1 by Blocking the Client Binding Site.
Resolution2.297 Å
Binding residue
(original residue number in PDB)		F368 F546
Binding residue
(residue number reindexed from 1)		F272 F442
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7exp, PDBe:7exp, PDBj:7exp
PDBsum7exp
PubMed34758612
UniProtA0A2R8RKV0

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