Structure of PDB 2e67 Chain E Binding Site BS01

Receptor Information
>2e67 Chain E (length=263) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLLERLGLGGRRVLILHHDDLGLTHAQNGAYQALGLPTGSVMVPGAWASG
VKGEDLGVHLVLTSEWPAPRMRPLTEGESLRDEAGYFPESLEALWRKARA
EEVERELKAQIQAAAKLFSPTHLDAHQGAVLRPDLAEVYLRLAEAYRLVP
LVPESLEGLGVPPPFLPELERLLYETPFPQVRFLDPYGLPPEERLGFYLD
LAHLPPGLYYLVHHSALPTPEGRALPDWPTREADYFALSHPEVRRVLAEF
HPLTWRAVREALF
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2e67 Chain E Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2e67 Crystal structure of the YdjC-family protein TTHB029 from Thermus thermophilus HB8: structural relationship with peptidoglycan N-acetylglucosamine deacetylase.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D21 H60 H127
Binding residue
(residue number reindexed from 1)		D20 H59 H126
Annotation score4
Enzymatic activity
Enzyme Commision number 3.5.1.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2e67, PDBe:2e67, PDBj:2e67
PDBsum2e67
PubMed18177738
UniProtQ53WD3|YDJC_THET8 Carbohydrate deacetylase (Gene Name=TTHB029)

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