Barium in PDB 3vg6: Barium Derivative of Human Lfabp

The structure of Barium Derivative of Human Lfabp, PDB code: 3vg6 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 / 2.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	30.216, 57.240, 74.491, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 29.5

The structure of Barium Derivative of Human Lfabp also contains other interesting chemical elements:

Iodine

(I)

5 atoms

The binding sites of Barium atom in the Barium Derivative of Human Lfabp (pdb code 3vg6). 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: 3vg6:
Jump to Barium binding site number: 1; 2;

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:30.7 occ:0.55 OG1 A:THR81 2.7 23.6 1.0 O A:THR94 2.8 26.9 1.0 OG1 A:THR94 2.8 24.1 0.5 C A:THR94 3.8 26.5 1.0 CB A:THR81 3.9 24.0 1.0 CB A:THR94 4.1 26.1 0.5 CB A:THR94 4.3 26.4 0.5 CA A:THR81 4.3 23.5 1.0 CA A:THR94 4.3 25.9 0.5 CA A:THR94 4.4 26.2 0.5 N A:THR94 4.4 25.7 1.0 N A:VAL82 4.4 22.8 1.0 O A:HOH175 4.6 16.3 0.5 O A:HOH221 4.8 42.3 1.0 N A:PHE95 4.8 27.1 1.0 OG1 A:THR93 4.9 24.9 1.0 O A:HOH177 4.9 30.1 1.0 O A:VAL82 5.0 21.7 1.0 C A:THR81 5.0 23.4 1.0 CG2 A:THR94 5.0 25.8 0.5

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:41.6 occ:0.23 OD1 A:ASN89 2.9 33.0 1.0 OG A:SER2 2.9 32.7 1.0 ND2 A:ASN89 3.4 29.6 1.0 CG A:ASN89 3.5 29.1 1.0 CB A:SER2 3.8 30.1 1.0 CB A:ASP88 4.3 30.9 1.0 CA A:SER2 4.5 30.0 1.0 O A:HOH184 4.6 40.1 1.0 OD2 A:ASP88 4.6 38.4 1.0 CB A:ASN89 5.0 26.9 1.0

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