Structure of PDB 1a0e Chain A Binding Site BS02

Receptor Information
>1a0e Chain A (length=443) Species: 2337 (Thermotoga neapolitana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEFFPEIPKVQFEGKESTNPLAFKFYDPEEIIDGKPLKDHLKFSVAFWHT
FVNEGRDPFGDPTADRPWNRYTDPMDKAFARVDALFEFCEKLNIEYFCFH
DRDIAPEGKTLRETNKILDKVVERIKERMKDSNVKLLWGTANLFSHPRYM
HGAATTCSADVFAYAAAQVKKALEITKELGGEGYVFWGGREGYETLLNTD
LGFELENLARFLRMAVDYAKRIGFTGQFLIEPKPKEPTKHQYDFDVATAY
AFLKSHGLDEYFKFNIEANHATLAGHTFQHELRMARILGKLGSIDANQGD
LLLGWDTDQFPTNVYDTTLAMYEVIKAGGFTKGGLNFDAKVRRASYKVED
LFIGHIAGMDTFALGFKVAYKLVKDGVLDKFIEEKYRSFREGIGRDIVEG
KVDFEKLEEYIIDKETIELPSGKQEYLESLINSYIVKTILELR
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain1a0e Chain A Residue 492 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a0e Xyla Cloning and Sequencing and Biochemical Characterization of Xylose Isomerase from Thermotoga Neapolitana
Resolution2.7 Å
Binding residue
(original residue number in PDB)		E267 H270 D308
Binding residue
(residue number reindexed from 1)		E267 H270 D308
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H100 D103 W138 E231 K233 E267 H270 D295 D306 D308 D338
Catalytic site (residue number reindexed from 1) H100 D103 W138 E231 K233 E267 H270 D295 D306 D308 D338
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:1a0e, PDBe:1a0e, PDBj:1a0e
PDBsum1a0e
PubMed
UniProtP45687|XYLA_THENE Xylose isomerase (Gene Name=xylA)

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