Structure of PDB 5m12 Chain A Binding Site BS01

Receptor Information
>5m12 Chain A (length=534) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPRGSHMASMEIFGKTFREGRFVLKEKNFTVEFAVEKIHLGWKISGRVKG
SPGRLEVLRTKAPEKVLVNNWQSWGPCRVVDAFSFKPPEIDPNWRYTASV
VPDVLERNLQSDYFVAEEGKVYGFLSSKIAHPFFAVEDGELVAYLEYFDV
EFDDFVPLEPLVVLEDPNTPLLLEKYAELVGMENNARVPKHTPTGWCSWY
HYFLDLTWEETLKNLKLAKNFPFEVFQIDDAYEKDIGDWLVTRGDFPSVE
EMAKVIAENGFIPGIWTAPFSVSETSDVFNEHPDWVVKENGEPKMAYRNW
NKKIYALDLSKDEVLNWLFDLFSSLRKMGYRYFKIDFLFAGAVPGERKKN
ITPIQAFRKGIETIRKAVGEDSFILGCGSPLLPAVGCVDGMRIGPDTAPF
WGEHIEDNGAPAARWALRNAITRYFMHDRFWLNDPDCLILREEKTDLTQK
EKELYSYTCGVLDNMIIESDDLSLVRDHGKKVLKETLELLGGRPRVQNIM
SEDLRYEIVSSGTLSGNVKIVVDLNSREYHLEKE
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 chain5m12 Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5m12 Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		D419 D454
Binding residue
(residue number reindexed from 1)		D428 D463
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V26
Catalytic site (residue number reindexed from 1) V35
Enzyme Commision number 3.2.1.22: alpha-galactosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004557 alpha-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016139 glycoside catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5m12, PDBe:5m12, PDBj:5m12
PDBsum5m12
PubMed27783466
UniProtG4FEF4|AGAL_THEMA Alpha-galactosidase (Gene Name=galA)

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