Structure of PDB 1lkc Chain A Binding Site BS01

Receptor Information

>1lkc Chain A (length=355) Species: 28901 (Salmonella enterica)

HGGNIREPATVLGISPDQLLDFSANINPLGMPVSVKRALIDNLDCIERYP
DADYFHLHQALARHHQVPASWILAGNGETESIFTVASGLKPRRAMIVTPG
FAEYGRALAQSGCEIRRWSLREADGWQLTDAILEALTPDLDCLFLCTPNN
PTGLLPERPLLQAIADRCKSLNINLILDEAFIDFIPHETGFIPALKDNPH
IWVLRSLTKFYAIPGLRLGYLVNSDDAAMARMRRQQMPWSVNALAALAGE
VALQDSAWQQATWHWLREEGARFYQALCQLPLLTVYPGRANYLLLRCERE
DIDLQRRLLTQRILIRSCANYPGLDSRYYRVAIRSAAQNERLLAALRNVL
TGIAP

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 1lkc Chain A Residue 700

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1lkc Three-dimensional structure of the L-threonine-O-3-phosphate decarboxylase (CobD) enzyme from Salmonella enterica.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): H8 G9 N157 R323 R337
• Binding residue (residue number reindexed from 1): H1 G2 N150 R316 R330
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.1.1.81: threonine-phosphate decarboxylase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016829 lyase activity
• GO:0030170 pyridoxal phosphate binding
• GO:0042802 identical protein binding
• GO:0042803 protein homodimerization activity
• GO:0048472 threonine-phosphate decarboxylase activity

Biological Process

• GO:0009058 biosynthetic process
• GO:0009236 cobalamin biosynthetic process

External links

• PDB: RCSB:1lkc, PDBe:1lkc, PDBj:1lkc
• PDBsum: 1lkc
• PubMed: 11939774
• UniProt: P97084|COBD_SALTY Threonine-phosphate decarboxylase (Gene Name=cobD)