Structure of PDB 7eqr Chain C Binding Site BS01

Receptor Information
>7eqr Chain C (length=331) Species: 669 (Vibrio harveyi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVYGIIAMQAAYRDYDSGDAKQDDNLGGMQLNNESRIGFRGKKQFANFEP
TFIWQIEGGYVDPSFGGEGAGLGERDTFVGFESASWGQVRLGRVLTPMYE
LVDWPASNPGLGDVYDWGGAIGGAKYQDRQSNTIRWDSPMYADKFSIDAA
VGAGDKAGLGAGDDYWGGIAAHYKLGPLQLDAAYEGNRNIEAEGQTWENN
TYLVGVQGWFENGISFFAQYKYMEADASNGVNEKQDAMSAGLMYTTGDWQ
YKLGYAANFDLERDGKTLSNTSDDVVSAQIMYFVDPSAVLYARARMNDFN
EGLDGLDDAARWTSGTNGDYNEYSVGVEYYF
Ligand information
Ligand IDC8E
InChIInChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
InChIKeyFEOZZFHAVXYAMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCOCCOCCOCCOCCO
FormulaC16 H34 O5
Name(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
ChEMBL
DrugBankDB04233
ZINCZINC000014881140
PDB chain7eqr Chain C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7eqr Structure of truncated VhChiP complex with chitohexaose
Resolution2.75003 Å
Binding residue
(original residue number in PDB)		G224 V225 Y239 F278
Binding residue
(residue number reindexed from 1)		G205 V206 Y220 F259
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015288 porin activity
GO:0046872 metal ion binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane
GO:0046930 pore complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7eqr, PDBe:7eqr, PDBj:7eqr
PDBsum7eqr
PubMed37394001
UniProtL0RVU0

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