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Barium in PDB 3vg5: Barium Derivative of Human Lfabp

Protein crystallography data

The structure of Barium Derivative of Human Lfabp, PDB code: 3vg5 was solved by A.Sharma, M.Yogavel, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 30.293, 57.122, 74.110, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 25

Barium Binding Sites:

The binding sites of Barium atom in the Barium Derivative of Human Lfabp (pdb code 3vg5). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the Barium Derivative of Human Lfabp, PDB code: 3vg5:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in 3vg5

Go back to Barium Binding Sites List in 3vg5
Barium binding site 1 out of 2 in the Barium Derivative of Human Lfabp


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Barium Derivative of Human Lfabp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba130

b:40.0
occ:0.50
O A:HOH252 2.5 20.1 0.5
O A:HOH251 2.7 42.3 0.6
OD1 A:ASN89 2.9 27.7 1.0
OG A:SER2 2.9 30.3 1.0
O A:HOH225 3.4 32.8 1.0
CG A:ASN89 3.8 25.4 1.0
CB A:SER2 3.9 29.1 1.0
ND2 A:ASN89 4.0 26.8 1.0
CB A:ASP88 4.3 23.9 0.5
CA A:SER2 4.3 28.5 1.0
CB A:ASP88 4.5 23.7 0.5
OD2 A:ASP88 4.7 25.9 0.5
O A:HOH216 4.8 39.8 1.0
O A:SER2 4.9 27.3 1.0

Barium binding site 2 out of 2 in 3vg5

Go back to Barium Binding Sites List in 3vg5
Barium binding site 2 out of 2 in the Barium Derivative of Human Lfabp


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Barium Derivative of Human Lfabp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba131

b:32.7
occ:0.30
OG1 A:THR81 2.6 20.9 1.0
O A:HOH132 2.6 2.0 0.2
O A:HOH282 2.8 18.5 0.4
O A:THR94 3.0 25.8 1.0
O A:HOH283 3.1 23.9 0.5
CB A:THR81 3.7 21.8 1.0
C A:THR94 4.0 25.4 1.0
CA A:THR81 4.2 21.5 1.0
N A:VAL82 4.4 21.7 1.0
CB A:THR94 4.4 25.3 1.0
N A:THR94 4.5 24.0 1.0
CA A:THR94 4.5 25.0 1.0
O A:HOH152 4.7 27.4 0.5
O A:HOH259 4.7 28.9 0.6
C A:THR81 4.8 21.9 1.0
N A:PHE95 5.0 25.6 1.0
CG2 A:THR81 5.0 20.4 1.0
O A:VAL82 5.0 21.0 1.0

Reference:

A.Sharma, M.Yogavel, A.Sharma. Utility of Anion and Cation Combinations For Phasing of Protein Structures. J.Struct.Funct.Genom. V. 13 135 2012.
ISSN: ISSN 1345-711X
PubMed: 22562242
DOI: 10.1007/S10969-012-9137-3
Page generated: Sat Dec 12 01:55:58 2020

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