Structure of PDB 4luk Chain A Binding Site BS01

Receptor Information
>4luk Chain A (length=189) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYKEPFGVKVDFETGIIEGAKKSVRRLSDMEGYFVDERAWKELVEKEDPV
VYEVYAVEQEEKEGDLNFATTVLYPGKVGKEFFFTKGHFHAKLDRAEVYV
ALKGKGGMLLQTPEGDAKWISMEPGTVVYVPAGWAHRTVNIGDEPFIFLA
IYPADAGHDYGTIAEKGFSKIVIEENGEVKVVDNPRWKK
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4luk Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4luk Correlated mutation analysis as a tool for smart library design to improve protein performance.
Resolution1.41 Å
Binding residue
(original residue number in PDB)		H88 H90 E97 H136
Binding residue
(residue number reindexed from 1)		H88 H90 E97 H136
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.1.9: glucose-6-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004347 glucose-6-phosphate isomerase activity
GO:0005506 iron ion binding
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4luk, PDBe:4luk, PDBj:4luk
PDBsum4luk
PubMed
UniProtP83194|G6PI_PYRFU Glucose-6-phosphate isomerase (Gene Name=pgiA)

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