Structure of PDB 7eqr Chain F Binding Site BS01

Receptor Information
>7eqr Chain F (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 F Residue 401 [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)		D33 D35 D317 D338 N340
Binding residue
(residue number reindexed from 1)		D14 D16 D298 D319 N321
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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