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Barium in PDB 1wro: Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis

Protein crystallography data

The structure of Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis, PDB code: 1wro was solved by T.Kumarevel, H.Mizuno, P.K.R.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.60 / 2.35
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.220, 81.140, 75.970, 90.00, 90.00, 90.00
R / Rfree (%) 24.7 / 30

Barium Binding Sites:

The binding sites of Barium atom in the Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis (pdb code 1wro). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 6 binding sites of Barium where determined in the Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis, PDB code: 1wro:
Jump to Barium binding site number: 1; 2; 3; 4; 5; 6;

Barium binding site 1 out of 6 in 1wro

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Barium binding site 1 out of 6 in the Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba4002

b:59.6
occ:1.00
N B:HIS2001 2.5 27.5 0.0
NE2 A:HIS77 2.5 21.4 1.0
NE2 B:HIS138 2.6 24.2 1.0
O A:HOH4007 2.6 23.2 1.0
O B:HIS2001 2.6 28.3 1.0
NE2 A:HIS73 2.7 17.9 1.0
CD2 A:HIS73 3.2 19.7 1.0
CD2 B:HIS138 3.2 23.1 1.0
CA B:HIS2001 3.3 27.2 1.0
C B:HIS2001 3.3 28.5 1.0
CE1 A:HIS77 3.4 21.4 1.0
CD2 A:HIS77 3.5 20.6 1.0
CE1 B:HIS138 3.7 25.0 1.0
CE1 A:HIS73 3.7 21.5 1.0
NH1 B:ARG88 4.2 20.6 1.0
CG A:HIS73 4.3 23.6 1.0
CG B:HIS138 4.5 26.9 1.0
ND1 A:HIS77 4.5 23.4 1.0
OXT B:HIS2001 4.5 29.1 1.0
ND1 A:HIS73 4.6 23.2 1.0
CG A:HIS77 4.6 23.5 1.0
CB B:HIS2001 4.6 27.6 1.0
OH A:TYR69 4.7 29.8 1.0
ND1 B:HIS138 4.7 28.0 1.0

Barium binding site 2 out of 6 in 1wro

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Barium binding site 2 out of 6 in the Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba4004

b:0.8
occ:1.00
OE2 A:GLU90 2.7 48.0 1.0
O C:GLY89 3.0 32.3 1.0
BA A:BA4006 3.4 0.3 1.0
BA B:BA4005 3.7 0.1 1.0
O A:GLY89 3.9 34.3 1.0
CD A:GLU90 3.9 44.5 1.0
C C:GLY89 4.1 30.9 1.0
OE2 C:GLU90 4.6 46.0 1.0
NE2 C:HIS84 4.7 31.9 1.0
OE1 A:GLU90 4.7 44.2 1.0
CA C:GLY89 4.8 30.4 1.0
CG A:GLU90 4.8 42.0 1.0
OE2 B:GLU90 4.9 46.1 1.0
C A:GLY89 5.0 32.8 1.0

Barium binding site 3 out of 6 in 1wro

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Barium binding site 3 out of 6 in the Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba4006

b:0.3
occ:1.00
OE2 B:GLU90 2.8 46.1 1.0
O A:GLY89 2.9 34.3 1.0
BA A:BA4004 3.4 0.8 1.0
BA B:BA4005 3.4 0.1 1.0
CD B:GLU90 3.9 44.3 1.0
C A:GLY89 4.0 32.8 1.0
O B:GLY89 4.1 34.0 1.0
OE2 A:GLU90 4.3 48.0 1.0
OE1 B:GLU90 4.5 44.6 1.0
CA A:GLY89 4.8 33.1 1.0
CG B:GLU90 4.9 41.0 1.0
N A:GLU90 4.9 34.2 1.0
CA A:GLU90 5.0 34.3 1.0

Barium binding site 4 out of 6 in 1wro

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Barium binding site 4 out of 6 in the Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 4 of Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ba4003

b:66.0
occ:1.00
NE2 B:HIS77 2.5 19.8 1.0
N C:HIS3001 2.5 27.0 0.0
O B:HOH4006 2.5 20.2 1.0
NE2 B:HIS73 2.6 19.8 1.0
NE2 C:HIS138 2.6 28.6 1.0
O C:HIS3001 2.7 26.0 1.0
CD2 B:HIS73 3.3 20.1 1.0
CD2 C:HIS138 3.3 29.0 1.0
CA C:HIS3001 3.4 27.4 1.0
CD2 B:HIS77 3.4 20.5 1.0
C C:HIS3001 3.4 26.8 1.0
CE1 B:HIS77 3.5 22.2 1.0
CE1 B:HIS73 3.6 19.7 1.0
CE1 C:HIS138 3.7 30.2 1.0
NH1 C:ARG88 4.2 18.0 1.0
CG B:HIS73 4.4 23.9 1.0
ND1 B:HIS73 4.5 21.6 1.0
CG C:HIS138 4.6 31.7 1.0
CG B:HIS77 4.6 24.2 1.0
ND1 B:HIS77 4.6 24.9 1.0
OXT C:HIS3001 4.6 28.0 1.0
OH B:TYR69 4.6 29.9 1.0
ND1 C:HIS138 4.7 32.2 1.0
CB C:HIS3001 4.8 26.8 1.0

Barium binding site 5 out of 6 in 1wro

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Barium binding site 5 out of 6 in the Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 5 of Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ba4005

b:0.1
occ:1.00
OE2 C:GLU90 2.7 46.0 1.0
O B:GLY89 2.8 34.0 1.0
BA A:BA4006 3.4 0.3 1.0
BA A:BA4004 3.7 0.8 1.0
OE2 B:GLU90 3.7 46.1 1.0
CD C:GLU90 3.9 44.2 1.0
C B:GLY89 3.9 31.7 1.0
O C:GLY89 4.1 32.3 1.0
OE1 C:GLU90 4.5 44.7 1.0
O B:HOH4019 4.6 27.1 1.0
CA B:GLY89 4.7 31.8 1.0
CD B:GLU90 4.8 44.3 1.0
N B:GLU90 4.9 33.1 1.0
CA B:GLU90 4.9 33.9 1.0
NE2 B:HIS84 4.9 30.1 1.0

Barium binding site 6 out of 6 in 1wro

Go back to Barium Binding Sites List in 1wro
Barium binding site 6 out of 6 in the Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 6 of Metal Ion Dependency of the Antiterminator Protein, Hutp, For Binding to the Terminator Region of Hut Mrna- A Structural Basis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ba4001

b:78.1
occ:1.00
O A:HIS1001 2.6 28.6 1.0
NE2 A:HIS138 2.6 34.0 1.0
N A:HIS1001 2.6 31.4 0.0
O C:HOH4002 2.6 22.6 1.0
NE2 C:HIS77 2.6 26.8 1.0
NE2 C:HIS73 2.9 20.5 1.0
CA A:HIS1001 3.1 31.1 1.0
C A:HIS1001 3.2 31.1 1.0
CD2 C:HIS73 3.3 18.8 1.0
CD2 A:HIS138 3.4 34.8 1.0
CE1 C:HIS77 3.4 26.5 1.0
CE1 A:HIS138 3.7 36.3 1.0
CD2 C:HIS77 3.7 27.2 1.0
CE1 C:HIS73 4.2 22.4 1.0
NH1 A:ARG88 4.3 23.6 1.0
OXT A:HIS1001 4.5 31.3 1.0
CG C:HIS73 4.6 23.7 1.0
CG A:HIS138 4.6 36.3 1.0
ND1 C:HIS77 4.6 28.7 1.0
CB A:HIS1001 4.6 32.7 1.0
OH C:TYR69 4.6 31.8 1.0
ND1 A:HIS138 4.7 38.9 1.0
CG C:HIS77 4.8 29.1 1.0

Reference:

T.Kumarevel, H.Mizuno, P.K.R.Kumar. Characterization of the Metal Ion Binding Site in the Anti-Terminator Protein, Hutp, of Bacillus Subtilis Nucleic Acids Res. V. 33 5494 2005.
ISSN: ISSN 0305-1048
PubMed: 16192572
DOI: 10.1093/NAR/GKI868
Page generated: Sat Dec 12 01:55:04 2020

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