Het-PDB Navi2 (PDB: 1CSS)

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Ligands
Code	Name		Style	Show	Link
FCX	Alpha-fluoro-carboxymethyldethia coenzyme a complex				PoSSuM
OAA	Oxaloacetate ion				PoSSuM

Non-standard Residues
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Glycosylation
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Download interaction data: 1CSS

Code :

1CSS PDBj RCSB PDB PDBe

Header :

OXO-ACID-LYASE

Title :

ALPHA-FLUORO ACID AND ALPHA-FLUORO AMIDE ANALOGS OF ACETYL-COA AS INHIBITORS OF OF CITRATE SYNTHASE: EFFECT OF PKA MATCHING ON BINDING AFFINITY AND HYDROGEN BOND LENGTH

Release Data :

1995-10-15

Compound :

mol_id	molecule	chains
1	CITRATE SYNTHASE	A
	ec: 4.1.3.7

Source :

mol_id	organism_scientific	organism_common
1	Gallus gallus (taxid:9031)	Chicken
	organ: HEART tissue: MUSCLE

Authors :

Usher, K.C., Remington, S.J.

Keywords :

OXO-ACID-LYASE

Exp. method :

X-RAY DIFFRACTION ( 1.70 Å )

Citation :

alpha-Fluoro acid and alpha-fluoro amide analogs of acetyl-CoA as inhibitors of citrate synthase: effect of pKa matching on binding affinity and hydrogen bond length.

Schwartz, B.,Drueckhammer, D.G.,Usher, K.C. et al.
(1995) Biochemistry 34 : 15459 - 15466

PubMed: 7492547
DOI: 10.1021/bi00047a010

A Very Short Hydrogen Bond Provides Only Moderate Stabilization of an Enzyme-Inhibitor Complex of Citrate Synthase

Usher, K.C.,Remington, S.J.,Martin, D.P. et al.
(1994) Biochemistry 33 : 7753

Proposed Mechanism for the Condensation Reaction of Citrate Synthase: 1.9-Angstroms Structure of the Ternary Complex with Oxaloacetate and Carboxymethyl Coenzyme A

Karpusas, M.,Branchaud, B.,Remington, S.J.
(1990) Biochemistry 29 : 2213

Crystal Structure Analysis and Molecular Model of a Complex of Citrate Synthase with Oxaloacetate and S-Acetonyl-Coenzyme A

Wiegand, G.,Remington, S.,Deisenhofer, J. et al.
(1984) J.Mol.Biol. 174 : 205

Crystallographic Refinement and Atomic Models of Two Different Forms of Citrate Synthase at 2.7 And 1.7 Angstroms Resolution

Remington, S.,Wiegand, G.,Huber, R.
(1982) J.Mol.Biol. 158 : 111

Chain :

UniProt :

P23007 (CISY_CHICK)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
acetyl-CoA + H2O + oxaloacetate = citrate + CoA + H(+)	2.3.3.1	PROSITE- ProRule:PRU10117, PubMed:2337600
acetyl-CoA + H2O + oxaloacetate = citrate + CoA + H(+)	-	PROSITE- ProRule:PRU10117, PubMed:2337600

PDB ID: 1CSS

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