Structure of PDB 5uwa Chain B Binding Site BS01

Receptor Information
>5uwa Chain B (length=185) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTNPYKLMDEAAQKTFDRLKNEQPQIRANPDYLRTIVDQELLPYVQVKYA
GALVLGQYYKSATPAQREAYFAAFREYLKQAYGQALAMYHGQTYQIAPEQ
PLGDKTIVPIRVTIIDPNGRPPVRLDFQWRKNSQTGNWQAYDMIAEGVSM
ITTKQNEWGTLLRTKGIDGLTAQLKSISQQKITLE
Ligand information
Ligand ID8ND
InChIInChI=1S/C37H73NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)42-34-35(33-41-32-31-38)43-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3/t35-/m0/s1
InChIKeyUWTLPHGXKLBELN-DHUJRADRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COCCN)OC(=O)CCCCCCCCCCCCCCC
ACDLabs 12.01C(COCCN)(COC(CCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCCCCCCCCCC
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCCCCCCCCCCCCCCC(=O)OC[C@H](COCCN)OC(=O)CCCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](COCCN)OC(=O)CCCCCCCCCCCCCCC
FormulaC37 H73 N O5
Name(2S)-3-(2-aminoethoxy)propane-1,2-diyl dihexadecanoate
ChEMBL
DrugBank
ZINC
PDB chain5uwa Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5uwa Architectures of Lipid Transport Systems for the Bacterial Outer Membrane.
Resolution1.501 Å
Binding residue
(original residue number in PDB)		M31 F39 Y105 L109 M111 Q115 F150 Y164
Binding residue
(residue number reindexed from 1)		M8 F16 Y82 L86 M88 Q92 F127 Y141
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Biological Process
GO:0015914 phospholipid transport
GO:0120010 intermembrane phospholipid transfer
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5uwa, PDBe:5uwa, PDBj:5uwa
PDBsum5uwa
PubMed28388411
UniProtP0ADV7|MLAC_ECOLI Intermembrane phospholipid transport system binding protein MlaC (Gene Name=mlaC)

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