Structure of PDB 1tj4 Chain A Binding Site BS01

Receptor Information

>1tj4 Chain A (length=244) Species: 1148 (Synechocystis sp. PCC 6803)

MRQLLLISDLDNTWVGDQQALEHLQEYLGDRRGNFYLAYATGRSYHSARE
LQKQVGLMEPDYWLTAVGSEIYHPEGLDQHWADYLSEHWQRDILQAIADG
FEALKPQSPLEQNPWKISYHLDPQACPTVIDQLTEMLKETGIPVQVIFSS
GKDVDLLPQRSNKGNATQYLQQHLAMEPSQTLVCGDSGNDIGLFETSARG
VIVRNAQPELLHWYDQWGDSRHYRAQSSHAGAILEAIAHFDFLS

Ligand information

• Ligand ID: GLC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 1tj4 Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1tj4 The structure of a cyanobacterial sucrose-phosphatase reveals the sugar tongs that release free sucrose in the cell.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): G42 Q107 E111 D153 D155 N189
• Binding residue (residue number reindexed from 1): G42 Q107 E111 D153 D155 N189
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.24: sucrose-phosphate phosphatase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016787 hydrolase activity
• GO:0016791 phosphatase activity
• GO:0046872 metal ion binding
• GO:0050307 sucrose-phosphate phosphatase activity

Biological Process

• GO:0005986 sucrose biosynthetic process

External links

• PDB: RCSB:1tj4, PDBe:1tj4, PDBj:1tj4
• PDBsum: 1tj4
• PubMed: 15937230
• UniProt: P74325