Structure of PDB 3dzm Chain B Binding Site BS02

Receptor Information
>3dzm Chain B (length=204) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HAAKFSVEAGAGFYGGFGGQLAVVAEDLAPGLPLGVRLGVGFATSDALDD
GYDLGGGTTWGDVKEAGKFSEWGQNVTLSLDVLYKPLPVEVAPYFGVRYN
FFSGGYTDPEDNLTIKAQTISSNQLGLGLGVRAAYPLMPNLSLVGDLGVD
YYFQACFTRVEEDDSGNKSQSSVCPGDSGYEDVNKFVTQPEWVLKLRLGA
AYRF
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 chain3dzm Chain B Residue 209 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3dzm Crystal structure of a major outer membrane protein from Thermus thermophilus HB27
Resolution2.801 Å
Binding residue
(original residue number in PDB)		G14 S44 N74 Y154 T191 Q192 P193 E194 W195 V196
Binding residue
(residue number reindexed from 1)		G15 S45 N75 Y151 T188 Q189 P190 E191 W192 V193
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3dzm, PDBe:3dzm, PDBj:3dzm
PDBsum3dzm
PubMed19101566
UniProtQ72JD8

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