Structure of PDB 3dzm Chain C Binding Site BS01

Receptor Information
>3dzm Chain C (length=202) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKFSVEAGAGFYGGFGGQLAVVAEDLAPGLPLGVRLGVGFATSDALDDGY
DLGGGTTWGDVKEAGKFSEWGQNVTLSLDVLYKPLPVEVAPYFGVRYNFF
SGGYTDPEDNLTIKAQTISSNQLGLGLGVRAAYPLMPNLSLVGDLGVDYY
FQACFTRVEEDDSGNKSQSSVCPGDSGYEDVNKFVTQPEWVLKLRLGAAY
RF
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3dzm Chain C Residue 208 [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)		D45 L47 D49 E70
Binding residue
(residue number reindexed from 1)		D44 L46 D48 E69
Annotation score4
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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