Structure of PDB 5v0t Chain A Binding Site BS02

Receptor Information

>5v0t Chain A (length=454) Species: 266265 (Paraburkholderia xenovorans LB400)

GRLIIVSNRVAPIPAAGGLAVGVYDALKETGGMWFGWSGDVLSSGQPQIK
VEERGPVTFATIALMRRDYDQYYRGFSNATLWPAFHYRADLLQYDRHDFE
GYWRVNAWLAQQLVPLLREDDVIWVHDYHLIPFAQALRAAGVKNRIGFFL
HIPFPASQVLLAVPPHRELVEALCSFDLLGFQTAPDLRAFCDYIVNEANG
TADPSASGPLTIHAFGRTLRAAAYPIGVYPDEIAELAKAGERGKPVRTMK
ATLHSRKLIMSVDRLDYSKGLVERFRAFERLLEHSTAQRNKVSFLQIAPP
TRADMHAYQDIRLQLEGESGRINGRFAELDWTPILYIHKQYERSVLAALF
RTAHVGYVTPLRDGMNLVAKEYVSAQDPENPGVLVLSRFAGAAQELDGAL
IVNPVDIDGMAEALARALDMPLAERQARHRDMMVQLRENNVSVWRDNFMR
DLQG

Ligand information

• Ligand ID: G6P
• InChI: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: NBSCHQHZLSJFNQ-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
  CACTVS 3.341: O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
  ACDLabs 10.04: O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
• Formula: C6 H13 O9 P
• Name: 6-O-phosphono-alpha-D-glucopyranose;
  ALPHA-D-GLUCOSE-6-PHOSPHATE;
  6-O-phosphono-alpha-D-glucose;
  6-O-phosphono-D-glucose;
  6-O-phosphono-glucose
• DrugBank: DB02007
• ZINC: ZINC000003875375
• PDB chain: 5v0t Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5v0t Crystal structure of an alpha,alpha-trehalose-phosphate synthase (UDP-forming) from Burkholderia xenovorans in complex with glucose-6-phosphate
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): R18 L32 Y86 D140 R315
• Binding residue (residue number reindexed from 1): R9 L19 Y73 D127 R302
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): H164 D376
• Catalytic site (residue number reindexed from 1): H151 D363
• Enzyme Commision number: 2.4.1.15: alpha,alpha-trehalose-phosphate synthase (UDP-forming).

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003824 catalytic activity
• GO:0003825 alpha,alpha-trehalose-phosphate synthase (UDP-forming) activity
• GO:0016757 glycosyltransferase activity
• GO:0016758 hexosyltransferase activity

Biological Process

• GO:0005992 trehalose biosynthetic process

External links

• PDB: RCSB:5v0t, PDBe:5v0t, PDBj:5v0t
• PDBsum: 5v0t
• UniProt: Q13W28