Het-PDB Navi2 (PDB: 3CPO)

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Ligands
Code	Name		Style	Show	Link
FP2	2-fluorophenol				PoSSuM

Non-standard Residues
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Glycosylation
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Download interaction data: 3CPO

Code :

3CPO PDBj RCSB PDB PDBe

Header :

ISOMERASE

Title :

Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol

Release Data :

2008-09-23

Compound :

mol_id	molecule	chains	synonym
1	Delta(5)-3-ketosteroid isomerase	A	Steroid Delta-isomerase
	ec: 5.3.3.1 mutation: D40N

Source :

mol_id	organism_scientific	expression_system
1	Pseudomonas putida (taxid:303)	Escherichia coli (taxid:562)
	gene: ksi expression_system_strain: BL21 expression_system_vector_type: plasmid expression_system_plasmid: pKK

Authors :

Caaveiro, J.M.M., Pybus, B., Ringe, D., Petsko, G.

Keywords :

ENZYME, ACTIVE SITE, HYDROGEN BOND, GEOMETRY, Isomerase, Lipid metabolism, Steroid metabolism

Exp. method :

X-RAY DIFFRACTION ( 1.240 Å )

Citation :

Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole

Sigala, P.A.,Kraut, D.A.,Caaveiro, J.M.M. et al.
(2008) J.Am.Chem.Soc. 130 : 13696 - 13708

Testing electrostatic complementarity in enzyme catalysis: hydrogen bonding in the ketosteroid isomerase oxyanion hole

Kraut, D.A.,Sigala, P.A.,Pybus, B. et al.
(2006) PLOS Biol. 4 : 501 - 519

Chain :

UniProt :

P07445 (SDIS_PSEPU)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
a 3-oxo-Delta(5)-steroid = a 3-oxo-Delta(4)-steroid	5.3.3.1	-
a 3-oxo-Delta(5)-steroid = a 3-oxo-Delta(4)-steroid	-	-

PDB ID: 3CPO