Structure of PDB 1bh3 Chain A Binding Site BS01

Receptor Information
>1bh3 Chain A (length=289) Species: 1075 (Fuscovulum blasticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MISLNGYGRFGLQYVEDRGVGLEDTIISSRLRINIVGTTETDQGVTFGAK
LRMQWDDGDAFAGTAGNAAQFWTSYNGVTVSVGNVDTAFDSVALTYDSEM
GYEASSFGDAQSSFFKYNSKYDASGALDNYNGIAVTYSISGVNLYLSYVD
PDQTVDSSLVTEEFGIAADWSNDMISLAAAYTTDAGGIVDNDIAFVGAAY
KFNDAGTVGLNWYDNGLSTAGDQVTLYGNYAFGATTVRAYVSDIDRAGAD
TAYGIGADYQFAEGVKVSGSVQSGFANETVADVGVRFDF
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 chain1bh3 Chain A Residue 290 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bh3 Porin mutants with new channel properties.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		D59 A60 F61 Y121 A123
Binding residue
(residue number reindexed from 1)		D59 A60 F61 Y121 A123
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006811 monoatomic ion transport
GO:0055085 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:1bh3, PDBe:1bh3, PDBj:1bh3
PDBsum1bh3
PubMed9684893
UniProtP39767|PORI_FUSBL Porin (Gene Name=opmA)

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