Structure of PDB 3ajr Chain A Binding Site BS01

Receptor Information

>3ajr Chain A (length=314) Species: 273116 (Thermoplasma volcanium GSS1)

MILVTGSSGQIGTELVPYLAEKYGKKNVIASDIVQRDTGGIKFITLDVSN
RDEIDRAVEKYSIDAIFHLAGILSAKGEKDPALAYKVNMNGTYNILEAAK
QHRVEKVVIPSTIGVFGPETPKNKVPSITITRPRTMFGVTKIAAELLGQY
YYEKFGLDVRSLRYPGIISYKAEPTAGTTDYAVEIFYYAVKREKYKCYLA
PNRALPMMYMPDALKALVDLYEADRDKLVLRNGYNVTAYTFTPSELYSKI
KERIPEFEIEYKEDFRDKIAATWPESLDSSEASNEWGFSIEYDLDRTIDD
MIDHISEKLGIEGK

Ligand information

• Ligand ID: VAH
• InChI: InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m1/s1
• InChIKey: LGVJIYCMHMKTPB-DMTCNVIQSA-N
• SMILES:
  CACTVS 3.370: CC[CH](O)[CH](N)C(O)=O
  ACDLabs 12.01: O=C(O)C(N)C(O)CC
  OpenEye OEToolkits 1.7.0: CCC(C(C(=O)O)N)O
  CACTVS 3.370: CC[C@@H](O)[C@H](N)C(O)=O
  OpenEye OEToolkits 1.7.0: CC[C@H]([C@@H](C(=O)O)N)O
• Formula: C5 H11 N O3
• Name: (3R)-3-hydroxy-L-norvaline;
  L-3-Hydroxynorvaline
• ZINC: ZINC000002020209
• PDB chain: 3ajr Chain A Residue 318

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ajr Crystal Structure of Binary and Ternary Complexes of Archaeal UDP-galactose 4-Epimerase-like L-Threonine Dehydrogenase from Thermoplasma volcanium.
• Resolution: 1.77 Å
• Binding residue (original residue number in PDB): S74 T112 I113 F137 G177 T178 T179
• Binding residue (residue number reindexed from 1): S74 T112 I113 F137 G177 T178 T179
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 1.1.1.103: L-threonine 3-dehydrogenase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0008743 L-threonine 3-dehydrogenase activity

Biological Process

• GO:0006567 threonine catabolic process

External links

• PDB: RCSB:3ajr, PDBe:3ajr, PDBj:3ajr
• PDBsum: 3ajr
• PubMed: 22374996
• UniProt: Q97BK3