Structure of PDB 5dx9 Chain A Binding Site BS01

Receptor Information

>5dx9 Chain A (length=307) Species: 5207 (Cryptococcus neoformans)

GTPALDTAQFTDAYKKANKRLLLFNYDGTLTPIVKVPSHAVPTERTRNAI
AALCKDPKNVVYLISGRDGDFLEEHWGHLDRLGLSAEHGSFVKQPGEEDF
INMTEALDMSWMSEVEEIFKYYTERTTGSTIEVKKASITWHYRNSDPDFG
EFQCKQALDLLESSLAPRRPIEVLVGKKNLEVRPLAVNKGEIVRRLMYEN
PDVDLIFCAGDDKTDEDMFRALRTIFPPGGVVDNNPVVMKPPVAVTSALE
PEEVAELPDVELTIRSKGVFATTVGPPAKRTLAGWHVTCPEEVVEAFESL
LEEIQVV

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: 5dx9 Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5dx9 Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): I32 V33 R142 K176 N178
• Binding residue (residue number reindexed from 1): I33 V34 R143 K177 N179
• 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:5dx9, PDBe:5dx9, PDBj:5dx9
• PDBsum: 5dx9
• PubMed: 27307435
• UniProt: Q059G6