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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 / Rfree (%) 16.066 / 20.304

Other elements in 4bjh:

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) also contains other interesting chemical elements:

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

Go back to 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

Go back to 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

Go back to 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: Sat Dec 12 01:56:05 2020

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