Structure of PDB 2g8s Chain A Binding Site BS01

Receptor Information
>2g8s Chain A (length=348) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATVNVEVLQDKLDHPWALAFLPDNHGMLITLRGGELRHWQAGKGLSAPLS
GVPDVWAHGQGGLLDVVLAPDFAQSRRIWLSYSEVGDDGKAGTAVGYGRL
SDDLSKVTDFRTVFRQMPKLSTGNHFGGRLVFDGKGYLFIALGENNQRPT
AQDLDKLQGKLVRLTDQGEIPDDNPFIKESGVRAEIWSYGIRNPQGMAMN
PWSNALWLNEHGPRGGDEINIPQKGKNYGWPLATWGINYSGFKIPEAKGE
IVAGTEQPVFYWKDSPAVSGMAFYNSDKFPQWQQKLFIGALKDKDVIVMS
VNGDKVTEDGRILTDRGQRIRDVRTGPDGYLYVLTDESSGELLKVSPR
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 chain2g8s Chain A Residue 2002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2g8s Soluble Aldose Sugar Dehydrogenase from Escherichia coli: A HIGHLY EXPOSED ACTIVE SITE CONFERRING BROAD SUBSTRATE SPECIFICITY.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		E220 Y230
Binding residue
(residue number reindexed from 1)		E218 Y228
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H127 E146 R194 T236 G238 N240
Catalytic site (residue number reindexed from 1) H125 E144 R192 T234 G236 N238
Enzyme Commision number 1.1.5.-
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0016491 oxidoreductase activity
GO:0016901 oxidoreductase activity, acting on the CH-OH group of donors, quinone or similar compound as acceptor
GO:0046872 metal ion binding
GO:0070968 pyrroloquinoline quinone binding
Cellular Component
GO:0009279 cell outer membrane
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:2g8s, PDBe:2g8s, PDBj:2g8s
PDBsum2g8s
PubMed16864586
UniProtP75804|YLII_ECOLI Aldose sugar dehydrogenase YliI (Gene Name=yliI)

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