Structure of PDB 1x1t Chain A Binding Site BS01

Receptor Information

>1x1t Chain A (length=236) Species: 296 (Pseudomonas fragi)

MLKGKVAVVTGSTSGIGLGIATALAAQGADIVLNGFGDAAEIEKVRAGLA
AQHGVKVLYDGADLSKGEAVRGLVDNAVRQMGRIDILVNNAGIQHTALIE
DFPTEKWDAILALNLSAVFHGTAAALPHMKKQGFGRIINIASAHGLVASA
NKSAYVAAKHGVVGFTKVTALETAGQGITANAICPGWVRTLLSEKQPSLQ
FVTPEQLGGTAVFLASDAAAQITGTTVSVDGGWTAR

Ligand information

• Ligand ID: CAC
• InChI: InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1
• InChIKey: OGGXGZAMXPVRFZ-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.7.0: C[As](=O)(C)[O-]
  CACTVS 3.370: C[As](C)([O-])=O
  ACDLabs 12.01: [O-][As](=O)(C)C
• Formula: C2 H6 As O2
• Name: CACODYLATE ION;
  dimethylarsinate
• PDB chain: 1x1t Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1x1t d-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi: Molecular Cloning of the Enzyme Gene and Crystal Structure of the Enzyme
• Resolution: 1.52 Å
• Binding residue (original residue number in PDB): S142 H144 Y155 W187 W257
• Binding residue (residue number reindexed from 1): S142 H144 Y155 W187 W233
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): G15 N114 S142 Y155 K159
• Catalytic site (residue number reindexed from 1): G15 N114 S142 Y155 K159
• Enzyme Commision number: 1.1.1.30: 3-hydroxybutyrate dehydrogenase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003858 3-hydroxybutyrate dehydrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:1x1t, PDBe:1x1t, PDBj:1x1t
• PDBsum: 1x1t
• PubMed: 16325199
• UniProt: Q5KST5