Structure of PDB 5x7u Chain A Binding Site BS01

Receptor Information

>5x7u Chain A (length=546) Species: 525904 (Thermobaculum terrenum ATCC BAA-798)

DPTWYKDAIIYEVGVRCFFDSNNDGSGDIPGLTAKLDYIESLGVTAIWLL
PFYASPLKDGGYDISDYRSLHPDFGTIEDFKVFLDEAHRRGIRVITELVL
NHTSDQHQWFREARSNPNSPYRDYYVWSDTDDKYKDARIIFIDTERSNWT
WDQEAGKYYWHRFFSHQPDLNYDNPKVQQEILDIVGYWLDMGVDGLRLDA
VPYLYEREGTNCENLPETHEFLKKLRKFVDDNWPNRMLLAEANQWPEDVV
AYFGNGDECHMAYHFPIMPRMYMALRREDRHPITEILRRTPPIPETCQWA
LFLRNHDELTLEMVTDEERDYMYHEYAKDPRMRLNLGIRRRLAPLLDNSE
RRIQLMHLLLFTLPGTPIIYYGDEIGMGDNVYLGDRDGVRTPMQWSGDRN
AGFSRANPQALYLPPIRDPVFTYEAVNVEAQEQVPTSLLNWMKRTIQIRK
KYPVFGRGSIRFLQPSNRAVLAYIRQYQDTTILCACNLSRFCQAAELDLS
DFKGLYPVELYGKTVFPQIGELPYLLTFGPHVFYWFELKPQEQLPH

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 5x7u Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5x7u Structural Characteristics and Function of a New Kind of Thermostable Trehalose Synthase from Thermobaculum terrenum.
• Resolution: 2.501 Å
• Binding residue (original residue number in PDB): D23 N25 D27 S29 D31
• Binding residue (residue number reindexed from 1): D20 N22 D24 S26 D28
• Annotation score: 1

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

External links

• PDB: RCSB:5x7u, PDBe:5x7u, PDBj:5x7u
• PDBsum: 5x7u
• PubMed: 28809106
• UniProt: D1CE96