Iodine in PDB 2ogt: Crystal Structure of the Geobacillus Stearothermophilus Carboxylesterase EST55 at pH 6.8

Enzymatic activity of Crystal Structure of the Geobacillus Stearothermophilus Carboxylesterase EST55 at pH 6.8

All present enzymatic activity of Crystal Structure of the Geobacillus Stearothermophilus Carboxylesterase EST55 at pH 6.8:
3.1.1.1;

Protein crystallography data

The structure of Crystal Structure of the Geobacillus Stearothermophilus Carboxylesterase EST55 at pH 6.8, PDB code: 2ogt was solved by P.Liu, H.E.Ewis, P.C.Tai, C.D.Lu, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	10.00 / 1.58
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	69.361, 74.430, 98.606, 90.00, 90.00, 90.00
*R / R_free (%)*	17.3 / 24.1

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of the Geobacillus Stearothermophilus Carboxylesterase EST55 at pH 6.8 (pdb code 2ogt). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of the Geobacillus Stearothermophilus Carboxylesterase EST55 at pH 6.8, PDB code: 2ogt:

Iodine binding site 1 out of 1 in 2ogt

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Iodine Binding Sites List in 2ogt

Iodine binding site 1 out of 1 in the Crystal Structure of the Geobacillus Stearothermophilus Carboxylesterase EST55 at pH 6.8

Mono view

Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of the Geobacillus Stearothermophilus Carboxylesterase EST55 at pH 6.8 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:I601 b:28.3 occ:0.34	N	A:ASP309	3.6	28.4	1.0
	CA	A:LYS308	3.9	23.7	1.0
	CE2	A:PHE488	3.9	33.0	1.0
	CG2	A:VAL372	4.0	23.2	1.0
	CG2	A:THR367	4.1	25.4	1.0
	C	A:LYS308	4.3	24.6	1.0
	O	A:THR307	4.3	22.4	1.0
	CD	A:ARG393	4.3	27.6	1.0
	CG2	A:VAL306	4.4	20.9	1.0
	N	A:LYS308	4.7	22.0	1.0
	CA	A:ASP309	4.7	28.0	1.0
	CG	A:ARG393	4.7	22.6	1.0
	CG	A:LYS308	4.7	33.2	1.0
	CZ	A:PHE488	4.7	33.4	1.0
	CD2	A:PHE488	4.8	31.5	1.0
	CB	A:LYS308	4.8	24.5	1.0
	C	A:THR307	4.8	18.3	1.0
	OD1	A:ASP309	4.9	53.3	1.0

Reference:

P.Liu, H.E.Ewis, P.C.Tai, C.D.Lu, I.T.Weber. Crystal Structure of the Geobacillus Stearothermophilus Carboxylesterase EST55 and Its Activation of Prodrug Cpt-11. J.Mol.Biol. V. 367 212 2007.
ISSN: ISSN 0022-2836
PubMed: 17239398
DOI: 10.1016/J.JMB.2006.12.067

Page generated: Sun Aug 11 14:10:07 2024

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