Structure of PDB 3rlg Chain A Binding Site BS01

Receptor Information

>3rlg Chain A (length=278) Species: 58218 (Loxosceles intermedia)

GNRRPIWIMGAMVNAIGQIDEFVNLGANSIETDVSFDDNANPEYTYHGIP
CDCGRNCKKYENFNDFLKGLRSATTPGNSKYQEKLVLVVFDLKTGSLYDN
QANDAGKKLAKNLLQHYWNNGNNGGRAYIVLSIPDLNHYPLIKGFKDQLT
KDGHPELMDKVGHDFSGNDDIGDVGKAYKKAGITGHIWQSDGITNCLPRG
LSRVNAAVANRDSANGFINKVYYWTVDKRSTTRDALDAGVDGIMTNYPDV
ITDVLNEAAYKKKFRVATYDDNPWVTFK

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3rlg Chain A Residue 286

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3rlg Crystallization and preliminary X-ray diffraction analysis of a class II phospholipase D from Loxosceles intermedia venom.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): E32 D34 D91
• Binding residue (residue number reindexed from 1): E31 D33 D91
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): A12 E32 D34 H47 G48 D52 D91 K93 W230 D233 N252
• Catalytic site (residue number reindexed from 1): A11 E31 D33 H47 G48 D52 D91 K93 W224 D227 N246
• Enzyme Commision number: 4.6.1.-

Gene Ontology

Molecular Function

• GO:0008081 phosphoric diester hydrolase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding
• GO:0090729 toxin activity

Biological Process

• GO:0006629 lipid metabolic process
• GO:0016042 lipid catabolic process
• GO:0031640 killing of cells of another organism
• GO:0035821 modulation of process of another organism

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:3rlg, PDBe:3rlg, PDBj:3rlg
• PDBsum: 3rlg
• PubMed: 21301094
• UniProt: P0CE80|A1HA_LOXIN Dermonecrotic toxin LiSicTox-alphaIA1a