Structure of PDB 2cw9 Chain A Binding Site BS01

Receptor Information
>2cw9 Chain A (length=182) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAFIRASRALTDKVTDLLGGLFSKTEMSEVLTEILRVDPAFDKDRFLKQC
ENDIIPNVLEAMISGELDILKDWCYEATYSQLAHPIQQAKALGLQFHSRI
LDIDNVDLAMGKMVEQGPVLIITFQAQLVMVVRNPKGEVVEGDPDKVLRM
LYVWALCRDQDELNPYAAWRLLDISASSTEQI
Ligand information
Ligand ID1PE
InChIInChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
InChIKeyJLFNLZLINWHATN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCO)O
CACTVS 3.341OCCOCCOCCOCCOCCO
ACDLabs 10.04O(CCO)CCOCCOCCOCCO
FormulaC10 H22 O6
NamePENTAETHYLENE GLYCOL;
PEG400
ChEMBLCHEMBL1229766
DrugBank
ZINCZINC000004283769
PDB chain2cw9 Chain A Residue 1001 [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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PDB2cw9 Structure of the human Tim44 C-terminal domain in complex with pentaethylene glycol: ligand-bound form.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		M399 M419 A445
Binding residue
(residue number reindexed from 1)		M130 M150 A176
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2cw9, PDBe:2cw9, PDBj:2cw9
PDBsum2cw9
PubMed18084070
UniProtO43615|TIM44_HUMAN Mitochondrial import inner membrane translocase subunit TIM44 (Gene Name=TIMM44)

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