Structure of PDB 1ldb Chain A Binding Site BS01

Receptor Information

>1ldb Chain A (length=294) Species: 1422 (Geobacillus stearothermophilus)

MKNNGGARVVVIGAGFVGASYVFALMNQGIADEIVLIDANESKAIGDAMD
FNHGKVFAPKPVDIWDYDDCRDADLVVICAGANDLVDKNIAIFRSIVESV
MASGFQGLFLVATNPVDILTYATWKFSGLPHERVIGSGTILDTARFRFLL
GEYFSVAPQNVHAYIIGEHGDTELPVWSQAYIGVMPIDLERIFVNVRDAA
YQIIEKKGATYYGIAMGLARVTRAILHNENAILTVSAYLDGLYGERDVYI
GVPAVINRNGIREVIEIELNDDEKNRFHHSAATLKSVLARAFTR

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 1ldb Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ldb Structure determination and refinement of Bacillus stearothermophilus lactate dehydrogenase.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): R169 H193 T247
• Binding residue (residue number reindexed from 1): R145 H169 T210
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D166 R169 H193
• Catalytic site (residue number reindexed from 1): D142 R145 H169
• Enzyme Commision number: 1.1.1.27: L-lactate dehydrogenase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004459 L-lactate dehydrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0051287 NAD binding

Biological Process

• GO:0006089 lactate metabolic process
• GO:0006090 pyruvate metabolic process
• GO:0006096 glycolytic process
• GO:0019752 carboxylic acid metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1ldb, PDBe:1ldb, PDBj:1ldb
• PDBsum: 1ldb
• PubMed: 2330370
• UniProt: P00344|LDH_GEOSE L-lactate dehydrogenase (Gene Name=ldh)