Het-PDB Navi2 (PDB: 2INX)

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Ligands
Code	Name		Style	Show	Link
FFP	2,6-difluorophenol				PoSSuM

Non-standard Residues
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Glycosylation
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Download interaction data: 2INX

Code :

2INX PDBj RCSB PDB PDBe

Header :

ISOMERASE

Title :

Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol

Release Data :

2007-10-23

Compound :

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

Source :

mol_id	organism_scientific	expression_system
1	Pseudomonas putida (taxid:303)	Escherichia coli BL21 (taxid:511693)
	gene: ksi expression_system_strain: BL21 expression_system_vector_type: plasmid

Authors :

Martinez Caaveiro, J.M., Pybus, B., Ringe, D., Petsko, G.A., Sigala, P., Kraut, D., Herschlag, D.

Keywords :

KSI, enzyme, active site, charge distribution, hydrogen bond, ISOMERASE

Exp. method :

X-RAY DIFFRACTION ( 1.500 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. 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.,Sigala, P.,Pybus, B. et al.
(2006) PLOS Biol. 4 : 501 - 519

PDB ID: 2INX