Barium in PDB 4bjh: Crystal Structure of the Aquifex Reactor Complex Formed By Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(Phosphonacetyl)-L- Aspartate (Pala)

Enzymatic activity of Crystal Structure of the Aquifex Reactor Complex Formed By Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(Phosphonacetyl)-L- Aspartate (Pala)

All present enzymatic activity of Crystal Structure of the Aquifex Reactor Complex Formed By Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(Phosphonacetyl)-L- Aspartate (Pala):
2.1.3.2; 3.5.2.3;

Protein crystallography data

The structure of Crystal Structure of the Aquifex Reactor Complex Formed By Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(Phosphonacetyl)-L- Aspartate (Pala), PDB code: 4bjh was solved by B.F.P.Edwards, P.D.Martin, E.Grimley, A.Vaishnav, R.Fernando, J.S.Brunzelle, M.Cordes, H.G.Evans, D.R.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	77.85 / 2.20
*Space group*	H 3 2
*Cell size a, b, c (Å), α, β, γ (°)*	157.152, 157.152, 233.244, 90.00, 90.00, 120.00
*R / R_free (%)*	16.066 / 20.304

Other elements in 4bjh:

Zinc

(Zn)

1 atom

Barium Binding Sites:

The binding sites of Barium atom in the Crystal Structure of the Aquifex Reactor Complex Formed By Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(Phosphonacetyl)-L- Aspartate (Pala) (pdb code 4bjh). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 3 binding sites of Barium where determined in the Crystal Structure of the Aquifex Reactor Complex Formed By Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(Phosphonacetyl)-L- Aspartate (Pala), PDB code: 4bjh:
Jump to Barium binding site number: 1; 2; 3;

Barium binding site 1 out of 3 in 4bjh

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Barium Binding Sites List in 4bjh

Barium binding site 1 out of 3 in the Crystal Structure of the Aquifex Reactor Complex Formed By Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(Phosphonacetyl)-L- Aspartate (Pala)

Mono view

Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Crystal Structure of the Aquifex Reactor Complex Formed By Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(Phosphonacetyl)-L- Aspartate (Pala) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Ba295 b:47.6 occ:0.33	OE2	B:GLU70	3.0	27.0	1.0
	O	B:HOH2080	3.2	32.7	1.0
	O	B:HOH2075	3.3	39.6	1.0
	BA	B:BA296	3.6	0.8	0.3
	CD	B:GLU70	4.2	34.4	1.0
	CG	B:GLU70	4.8	30.1	1.0

Barium binding site 2 out of 3 in 4bjh

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Barium Binding Sites List in 4bjh

Barium binding site 2 out of 3 in the Crystal Structure of the Aquifex Reactor Complex Formed By Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(Phosphonacetyl)-L- Aspartate (Pala)

Mono view

Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Crystal Structure of the Aquifex Reactor Complex Formed By Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(Phosphonacetyl)-L- Aspartate (Pala) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Ba296 b:0.8 occ:0.25	OE2	B:GLU70	3.1	27.0	1.0
	O1	B:EDO303	3.3	24.0	1.0
	BA	B:BA295	3.6	47.6	0.3
	OE1	B:GLU70	3.9	35.8	1.0
	CD	B:GLU70	3.9	34.4	1.0
	C1	B:EDO303	4.1	24.5	1.0
	C2	B:EDO303	4.7	26.4	1.0
	OG	B:SER67	5.0	35.5	1.0

Barium binding site 3 out of 3 in 4bjh

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Barium Binding Sites List in 4bjh

Barium binding site 3 out of 3 in the Crystal Structure of the Aquifex Reactor Complex Formed By Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(Phosphonacetyl)-L- Aspartate (Pala)

Mono view

Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Crystal Structure of the Aquifex Reactor Complex Formed By Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(Phosphonacetyl)-L- Aspartate (Pala) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Ba297 b:38.8 occ:0.18	OE1	B:GLU14	2.6	39.5	1.0
	O	B:ASP9	2.7	35.1	1.0
	OE2	B:GLU14	2.9	40.5	1.0
	CD	B:GLU14	3.1	39.4	1.0
	C1	B:EDO306	3.3	61.0	1.0
	C2	B:EDO306	3.8	61.3	1.0
	C	B:ASP9	3.9	34.8	1.0
	O1	B:EDO306	4.3	59.3	1.0
	CG2	B:THR11	4.3	34.5	1.0
	N	B:THR11	4.4	34.7	1.0
	CA	B:LEU10	4.5	33.7	1.0
	CG	B:GLU14	4.6	35.5	1.0
	N	B:LEU10	4.7	33.8	1.0
	C	B:LEU10	4.9	33.7	1.0
	CA	B:ASP9	4.9	34.0	1.0
	CB	B:ASP9	4.9	33.4	1.0
	O2	B:EDO306	4.9	62.0	1.0

Reference:

B.F.Edwards, R.Fernando, P.D.Martin, E.Grimley, M.Cordes, A.Vaishnav, J.S.Brunzelle, H.G.Evans, D.R.Evans. The Mononuclear Metal Center of Type-I Dihydroorotase From Aquifex Aeolicus. Bmc Biochem. V. 14 36 2013.
ISSN: ISSN 1471-2091
PubMed: 24314009
DOI: 10.1186/1471-2091-14-36

Page generated: Mon Jul 7 02:18:04 2025

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