Structure of PDB 1a0d Chain D Binding Site BS01

Receptor Information
>1a0d Chain D (length=437) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PYFDNISTIAYEGPASKNPLAFKFYNPEEKVGDKTMEEHLRFSVAYWHTF
TGDGSDPFGAGNMIRPWNKYSGMDLAKARVEAAFEFFEKLNIPFFCFHDV
DIAPEGETLKETYKNLDIIVDMIEEYMKTSKTKLLWNTANLFTHPRFVHG
AATSCNADVFAYAAAKVKKGLEIAKRLGAENYVFWGGREGYETLLNTDMK
LELDNLARFLHMAVDYAKEIGFDGQFLIEPKPKEPTKHQYDFDVATALAF
LQTYGLKDYFKFNIEANHATLAGHTFEHELRVARIHGMLGSVDANQGDML
LGWDTDEFPTDLYSTTLAMYEILKNGGLGRGGLNFDAKVRRGSFEPEDLF
YAHIAGMDSFAVGLKVAHRLIEDRVFDEFIEERYKSYTEGIGREIVEGTA
DFHKLEAHALQLGEIQNQSGRQERLKTLLNQYLLEVC
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 chain1a0d Chain D Residue 491 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a0d High Level Expression of a Thermostable Bacillus Xylose (Glucose) Isomerase in Escherichia Coli
Resolution3.0 Å
Binding residue
(original residue number in PDB)		E229 E265 D293 D336
Binding residue
(residue number reindexed from 1)		E229 E265 D293 D336
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H98 D101 W136 E229 K231 E265 H268 D293 D304 D306 D336
Catalytic site (residue number reindexed from 1) H98 D101 W136 E229 K231 E265 H268 D293 D304 D306 D336
Enzyme Commision number 5.3.1.5: xylose isomerase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0009045 xylose isomerase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0042732 D-xylose metabolic 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:1a0d, PDBe:1a0d, PDBj:1a0d
PDBsum1a0d
PubMed
UniProtP54273|XYLA_GEOSE Xylose isomerase (Gene Name=xylA)

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