Calcium in PDB 6szh: Acinetobacter Baumannii Undecaprenyl Pyrophosphate Synthase (Ab-Upps) in Complex with GW197

Enzymatic activity of Acinetobacter Baumannii Undecaprenyl Pyrophosphate Synthase (Ab-Upps) in Complex with GW197

All present enzymatic activity of Acinetobacter Baumannii Undecaprenyl Pyrophosphate Synthase (Ab-Upps) in Complex with GW197:
2.5.1.31;

Protein crystallography data

The structure of Acinetobacter Baumannii Undecaprenyl Pyrophosphate Synthase (Ab-Upps) in Complex with GW197, PDB code: 6szh was solved by J.H.Thorpe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	23.84 / 1.65
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	120.300, 64.120, 71.600, 90.00, 92.70, 90.00
*R / R_free (%)*	18.3 / 21.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Acinetobacter Baumannii Undecaprenyl Pyrophosphate Synthase (Ab-Upps) in Complex with GW197 (pdb code 6szh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Acinetobacter Baumannii Undecaprenyl Pyrophosphate Synthase (Ab-Upps) in Complex with GW197, PDB code: 6szh:

Calcium binding site 1 out of 1 in 6szh

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Calcium Binding Sites List in 6szh

Calcium binding site 1 out of 1 in the Acinetobacter Baumannii Undecaprenyl Pyrophosphate Synthase (Ab-Upps) in Complex with GW197

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Acinetobacter Baumannii Undecaprenyl Pyrophosphate Synthase (Ab-Upps) in Complex with GW197 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Ca301 b:25.8 occ:1.00	O	A:HOH371	2.2	26.1	1.0
	OD2	B:ASP172	2.2	34.3	1.0
	OD2	B:ASP170	2.6	29.2	1.0
	OD1	B:ASP170	2.6	29.8	1.0
	CG	B:ASP170	2.9	28.8	1.0
	CG	B:ASP172	3.4	32.5	1.0
	CB	B:ASP172	4.2	25.3	1.0
	O	A:HOH341	4.2	27.9	1.0
	OD1	B:ASP172	4.4	33.3	1.0
	CB	B:ASP170	4.4	23.6	1.0
	N	B:ASP172	4.5	21.7	1.0
	O	B:HOH546	4.6	50.5	1.0
	O	B:HOH536	4.7	38.2	1.0
	OE1	A:GLN162	4.7	25.7	1.0
	N	B:ALA171	5.0	22.1	1.0

Reference:

J.H.Thorpe, I.D.Wall, R.H.Sinnamon, A.N.Taylor, R.A.Stavenger. Cocktailed Fragment Screening By X-Ray Crystallography of the Antibacterial Target Undecaprenyl Pyrophosphate Synthase From Acinetobacter Baumannii. Acta Crystallogr.,Sect.F V. 76 40 2020.
ISSN: ESSN 2053-230X
PubMed: 31929185
DOI: 10.1107/S2053230X19017199

Page generated: Tue Jul 16 15:02:43 2024

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