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Barium in PDB 3vg6: Barium Derivative of Human Lfabp

Protein crystallography data

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

Other elements in 3vg6:

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

Iodine (I) 5 atoms

Barium Binding Sites:

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 3vg6

Go back to Barium Binding Sites List in 3vg6
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 3vg6

Go back to Barium Binding Sites List in 3vg6
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

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: Tue Oct 27 17:00:52 2020

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