Structure of PDB 7arl Chain C Binding Site BS01

Receptor Information
>7arl Chain C (length=392) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YQPVALFIGLRYMRGRAADRFGRFVSWLSTIGITLGVMALVTVLSVMNGF
ERELQNNILGLMPQAILSSEHGSLNPQQLPETAVKLDGVNRVAPITTGDV
VLQSARSVAVGVMLGIDPAQKDPLTPYLVNVKQTDLEPGKYNVILGEQLA
SQLGVNRGDQIRVMVPSASQFTPMGRIPSQRLFNVIGTFAANSEVDGYEM
LVNIEDASRLMGNITGWRLWLDEPLKVDSLSQQKLPEGSKWQDWRDRKGE
LFQAVRMEKNMMGLLLSLIVAVAAFNIITSLGLMVMEKQGEVAILQTQGL
TPRQIMMVFMVQGASAGIIGAILGAALGALLASQLNNLMPIIGVLLDGAA
LPVAIEPLQVIVIALVAMAIALLSTLYPSWRAAATQPAEALR
Ligand information
Ligand IDZ41
InChIInChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
InChIKeyJEJLGIQLPYYGEE-XIFFEERXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC
ACDLabs 12.01O=C(OC(CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCCCC
FormulaC35 H68 O5
Name(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate
ChEMBLCHEMBL87852
DrugBank
ZINCZINC000040164684
PDB chain7arl Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7arl Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		M48 F51 M266 M267
Binding residue
(residue number reindexed from 1)		M47 F50 M261 M262
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0140306 lipoprotein releasing activity
Biological Process
GO:0042953 lipoprotein transport
GO:0044874 lipoprotein localization to outer membrane
GO:0089705 protein localization to outer membrane
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0098797 plasma membrane protein complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7arl, PDBe:7arl, PDBj:7arl
PDBsum7arl
PubMed33782615
UniProtP0ADC3|LOLC_ECOLI Lipoprotein-releasing system transmembrane protein LolC (Gene Name=lolC)

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