Structure of PDB 4k7r Chain A Binding Site BS01

Receptor Information
>4k7r Chain A (length=429) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CSLAPDYQRPAMPVPQQFSLYQNAGWRTFFVDNQVKTLISEALVNNRDLR
MATLKVQEARAQYRLTDADRYPQLNGEGSGSWSGNLKGNTATTREFSTGL
NASFDLDFFGRLKNMSEAERQNYLATEEAQRAVHILLVSNVAQSYFNQQL
AYAQLQIAEETLRNYQQSYAFVEKQLLTGSSNVLALEQARGVIESTRSDI
AKRQGELAQANNALQLLLGSYGKLPQAQTVNSDSLQSVKLPAGLSSQILL
QRPDIMEAEHALMAANANIGAARAAFFPSISLTSGISTASSDLSSLFNAS
SGMWNFIPKIEIPIFNAGRNQANLDIAEIRQQQSVVNYEQKIQNAFKEVA
DALALRQSLNDQISAQQRYLASLQITLQRARALYQHGAVSYLEVLDAERS
LFATRQTLLDLNYARQVNEISLYTALGGG
Ligand information
Ligand ID3PK
InChIInChI=1S/C14H26O4/c1-4-6-8-10-14(16)18-12(3)11-17-13(15)9-7-5-2/h12H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyXIGVTLHUQMMWJT-LBPRGKRZSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCC(=O)O[CH](C)COC(=O)CCCC
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CCCCCC(=O)O[C@@H](C)COC(=O)CCCC
ACDLabs 12.01O=C(OC(C)COC(=O)CCCC)CCCCC
OpenEye OEToolkits 1.7.0CCCCCC(=O)OC(C)COC(=O)CCCC
FormulaC14 H26 O4
Name(2S)-1-(pentanoyloxy)propan-2-yl hexanoate
ChEMBL
DrugBank
ZINCZINC000095921215
PDB chain4k7r Chain A Residue 501 [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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PDB4k7r Crystal Structures of CusC Review Conformational Changes Accompanying Folding and Transmembrane Channel Formation.
Resolution2.094 Å
Binding residue
(original residue number in PDB)		C1 F119
Binding residue
(residue number reindexed from 1)		C1 F108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005375 copper ion transmembrane transporter activity
GO:0005507 copper ion binding
GO:0005515 protein binding
GO:0015288 porin activity
GO:0015562 efflux transmembrane transporter activity
GO:0019992 diacylglycerol binding
GO:0022857 transmembrane transporter activity
GO:0042802 identical protein binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006878 intracellular copper ion homeostasis
GO:0009636 response to toxic substance
GO:0010272 response to silver ion
GO:0010273 detoxification of copper ion
GO:0035434 copper ion transmembrane transport
GO:0046688 response to copper ion
GO:0055085 transmembrane transport
GO:0060003 copper ion export
GO:0070207 protein homotrimerization
GO:1902601 silver ion transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane
GO:0046930 pore complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4k7r, PDBe:4k7r, PDBj:4k7r
PDBsum4k7r
PubMed24099674
UniProtP77211|CUSC_ECOLI Cation efflux system protein CusC (Gene Name=cusC)

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