Structure of PDB 3a9h Chain A Binding Site BS02

Receptor Information
>3a9h Chain A (length=338) Species: 13773 (Pyrobaculum aerophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EWKFKISEVASDLEVPWSIAPLGGGRYLVTERPGRLVLISPSGKKLVASF
DVANVGEAGLLGLALHPEFPKKSWVYLYASYFAEGGHIRNRVIRGRLDGS
TFKLKEVKTLIDGIPGAYIHNGGRIRFGPDGMLYITTGDAADPRLAQDLS
SLAGKILRVDEEGRPPADNPFPNSPIWSYGHRNPQGIDWHRASGVMVATE
HGPVGHDEVNIILKGGNYGWPLATGKAGRGEFVDPVIDTGSETWAPSGAS
FVHGDMFPGLRGWLLIACLRGSMLAAVNFGDNMEVRKISTFFKNVFGRLR
DVVIDDDGGILISTSNRDGRGSLRAGDDKILKIVSEQH
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 chain3a9h Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3a9h Catalytic properties and crystal structure of quinoprotein aldose sugar dehydrogenase from hyperthermophilic archaeon Pyrobaculum aerophilum
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E240 Y250
Binding residue
(residue number reindexed from 1)		E208 Y218
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H152 D171 R214 T256 K258 G260
Catalytic site (residue number reindexed from 1) H120 D139 R182 T224 K226 G228
Enzyme Commision number 1.1.5.2: quinoprotein glucose dehydrogenase (PQQ, quinone).
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3a9h, PDBe:3a9h, PDBj:3a9h
PDBsum3a9h
PubMed20692227
UniProtQ8ZUN8

[Back to BioLiP]