Structure of PDB 2hor Chain A Binding Site BS04

Receptor Information

>2hor Chain A (length=425) Species: 4682 (Allium sativum)

KMTWTMKAAEEAEAVANINCSEHGRAFLDGIISEGSPKCECNTCYTGPDC
SEKIQGCSADVASGDGLFLEEYWKQHKEASAVLVSPWHRMSYFFNPVSNF
ISFELEKTIKELHEVVGNAAAKDRYIVFGVGVTQLIHGLVISLSPNMTAT
PDAPESKVVAHAPFYPVFREQTKYFDKKGYVWAGNAANYVNVSNPEQYIE
MVTSPNNPEGLLRHAVIKGCKSIYDMVYYWPHYTPIKYKADEDILLFTMS
KFTGHSGSRFGWALIKDESVYNNLLNYMTKNTEGTPRETQLRSLKVLKEV
VAMVKTQKGTMRDLNTFGFKKLRERWVNITALLDQSDRFSYQELPQSEYC
NYFRRMRPPSPSYAWVKCEWEEDKDCYQTFQNGRINTQNGVGFEASSRYV
RLSLIKTQDDFDQLMYYLKDMVKAK

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: 2hor Chain A Residue 702

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2hor Two Structures of Alliinase from Alliium sativum L.: Apo Form and Ternary Complex with Aminoacrylate Reaction Intermediate Covalently Bound to the PLP Cofactor.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): N42 T407 Q408 D409
• Binding residue (residue number reindexed from 1): N42 T407 Q408 D409
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.4.1.4: alliin lyase.

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity
• GO:0016829 lyase activity
• GO:0016846 carbon-sulfur lyase activity
• GO:0030170 pyridoxal phosphate binding
• GO:0031404 chloride ion binding
• GO:0042803 protein homodimerization activity
• GO:0047654 alliin lyase activity

Biological Process

• GO:0006520 amino acid metabolic process

Cellular Component

• GO:0005773 vacuole

External links

• PDB: RCSB:2hor, PDBe:2hor, PDBj:2hor
• PDBsum: 2hor
• PubMed: 17174334
• UniProt: Q01594|ALLN1_ALLSA Alliin lyase 1