Structure of PDB 5dxi Chain B Binding Site BS01

Receptor Information

>5dxi Chain B (length=289) Species: 237561 (Candida albicans SC5314)

YTPALNRPLLLNNYKESQRRLFLFDYDGTLTPIVQDPAAAIPSDKLNRIL
DVLSSDPKNQIWIISGRDQAFLEKWMGNKNVGLSAEHGCFMKDIGSKEWV
NLAASFDMSWQEKVDDIFKYYTEKTPGSNIERKKVALTWHYRRADPDLGN
FQAEKCMKELNDTVAKEYDVEVMAGKANIEVRPKFVNKGEIVKRLVLHPH
GAKQDIPIEELPDFMLCLGDDLTDEDMFNSLNEINKKWKGDNRPTNKFGS
YGVYPVAVGPASKKTVAIAHLNEPRQVLETLGLLAGLVS

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: 5dxi Chain D Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5dxi Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): I33 V34 P37 R142 K176
• Binding residue (residue number reindexed from 1): I33 V34 P37 R142 K176
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 2.4.1.15: alpha,alpha-trehalose-phosphate synthase (UDP-forming).

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity

Biological Process

• GO:0005992 trehalose biosynthetic process

External links

• PDB: RCSB:5dxi, PDBe:5dxi, PDBj:5dxi
• PDBsum: 5dxi
• PubMed: 27307435
• UniProt: Q5AI14