Structure of PDB 3nka Chain A Binding Site BS01

Receptor Information
>3nka Chain A (length=230) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMFRKLAAECFGTFWLVFGGCGSAVLAAGFPELGIGFAGVALAFGLTVL
TMAFAVGHISGGHFNPAVTIGLWAGGRFPAKEVVGYVIAQVVGGIVAAAL
LYLIASGKTGFDAAASGFASNGYGEHSPGGYSMLSALVVELVLSAGFLLV
IHGATDKFAPAGFAPIAIGLALTLIGLISIPVTNFSVNPARSTAVAIFQG
GWALEQLWFFWVVPIVGGIIGGLIYRTLLE
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain3nka Chain A Residue 236 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3nka Structural context shapes the aquaporin selectivity filter.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		A23 V39 I178 N182
Binding residue
(residue number reindexed from 1)		A25 V41 I180 N184
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0015250 water channel activity
GO:0015267 channel activity
GO:0042802 identical protein binding
Biological Process
GO:0006833 water transport
GO:0006970 response to osmotic stress
GO:0009992 intracellular water homeostasis
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3nka, PDBe:3nka, PDBj:3nka
PDBsum3nka
PubMed20855585
UniProtP60844|AQPZ_ECOLI Aquaporin Z (Gene Name=aqpZ)

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