Structure of PDB 4gw3 Chain A Binding Site BS03

Receptor Information

>4gw3 Chain A (length=284) Species: 584 (Proteus mirabilis)

STKYPIVLVHGLAGFNEIVGFPYFYGIADALRQDGHQVFTASLSAFNSNE
VRGKQLWQFVQTLLQETQAKKVNFIGHSQGPLACRYVAANYPDSVASVTS
INGVNHGSEIADLYRRIMRKDSIPEYIVEKVLNAFGTIISTFSGHDPQDA
IAALESLTTEQVTEFNNKYPQALPKTPGGEGDEIVNGVHYYCFGSYIQGL
IAGEKGNLLDPTHAAMRVLNTFFTEKQNDGLVGRSSMRLGKLIKDDYAQD
HIDMVNQVAGLVGYNEDIVAIYTQHAKYLASKQL

Ligand information

• Ligand ID: GOL
• InChI: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
• InChIKey: PEDCQBHIVMGVHV-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C(C(CO)O)O
  ACDLabs 12.01
  CACTVS 3.370: OCC(O)CO
• Formula: C3 H8 O3
• Name: GLYCEROL;
  GLYCERIN;
  PROPANE-1,2,3-TRIOL
• ChEMBL: CHEMBL692
• DrugBank: DB09462
• ZINC: ZINC000000895048
• PDB chain: 4gw3 Chain A Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4gw3 Crystal Structure of Proteus mirabilis Lipase, a Novel Lipase from the Proteus/Psychrophilic Subfamily of Lipase Family I.1.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): Q201 G202 N223
• Binding residue (residue number reindexed from 1): Q198 G199 N220
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): L13 S79 Q80 D213 D232 H254 D256 Q260 L264
• Catalytic site (residue number reindexed from 1): L12 S78 Q79 D210 D229 H251 D253 Q257 L261
• Enzyme Commision number: 3.1.1.3: triacylglycerol lipase.

Gene Ontology

Molecular Function

• GO:0004806 triacylglycerol lipase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:4gw3, PDBe:4gw3, PDBj:4gw3
• PDBsum: 4gw3
• PubMed: 23300806
• UniProt: B4EVM3