Structure of PDB 5x7u Chain A Binding Site BS03

Receptor Information
>5x7u Chain A (length=546) Species: 525904 (Thermobaculum terrenum ATCC BAA-798) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPTWYKDAIIYEVGVRCFFDSNNDGSGDIPGLTAKLDYIESLGVTAIWLL
PFYASPLKDGGYDISDYRSLHPDFGTIEDFKVFLDEAHRRGIRVITELVL
NHTSDQHQWFREARSNPNSPYRDYYVWSDTDDKYKDARIIFIDTERSNWT
WDQEAGKYYWHRFFSHQPDLNYDNPKVQQEILDIVGYWLDMGVDGLRLDA
VPYLYEREGTNCENLPETHEFLKKLRKFVDDNWPNRMLLAEANQWPEDVV
AYFGNGDECHMAYHFPIMPRMYMALRREDRHPITEILRRTPPIPETCQWA
LFLRNHDELTLEMVTDEERDYMYHEYAKDPRMRLNLGIRRRLAPLLDNSE
RRIQLMHLLLFTLPGTPIIYYGDEIGMGDNVYLGDRDGVRTPMQWSGDRN
AGFSRANPQALYLPPIRDPVFTYEAVNVEAQEQVPTSLLNWMKRTIQIRK
KYPVFGRGSIRFLQPSNRAVLAYIRQYQDTTILCACNLSRFCQAAELDLS
DFKGLYPVELYGKTVFPQIGELPYLLTFGPHVFYWFELKPQEQLPH
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5x7u Chain A Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5x7u Structural Characteristics and Function of a New Kind of Thermostable Trehalose Synthase from Thermobaculum terrenum.
Resolution2.501 Å
Binding residue
(original residue number in PDB)		N104 D172 Y206 L207 E209
Binding residue
(residue number reindexed from 1)		N101 D169 Y203 L204 E206
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E100 R200 D202 E244 H309 D310
Catalytic site (residue number reindexed from 1) E97 R197 D199 E241 H306 D307
Enzyme Commision number 5.4.99.16: maltose alpha-D-glucosyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
GO:0047471 maltose alpha-D-glucosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5x7u, PDBe:5x7u, PDBj:5x7u
PDBsum5x7u
PubMed28809106
UniProtD1CE96

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