Barium in PDB 2bou: Egf Domains 1,2,5 of Human EMR2, A 7-Tm Immune System Molecule, in Complex with Barium.

The structure of Egf Domains 1,2,5 of Human EMR2, A 7-Tm Immune System Molecule, in Complex with Barium., PDB code: 2bou was solved by R.J.M.Abbott, I.Spendlove, P.Roversi, P.Teriete, V.Knott, P.A.Handford, J.M.Mcdonnell, S.M.Lea, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.299 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.060, 61.560, 35.470, 90.00, 90.00, 90.00
R / Rfree (%)	23.76 / 25.47

The structure of Egf Domains 1,2,5 of Human EMR2, A 7-Tm Immune System Molecule, in Complex with Barium. also contains other interesting chemical elements:

Arsenic	(As)	1 atom
Calcium	(Ca)	2 atoms

The binding sites of Barium atom in the Egf Domains 1,2,5 of Human EMR2, A 7-Tm Immune System Molecule, in Complex with Barium. (pdb code 2bou). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the Egf Domains 1,2,5 of Human EMR2, A 7-Tm Immune System Molecule, in Complex with Barium., PDB code: 2bou:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the Egf Domains 1,2,5 of Human EMR2, A 7-Tm Immune System Molecule, in Complex with Barium.


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Egf Domains 1,2,5 of Human EMR2, A 7-Tm Immune System Molecule, in Complex with Barium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba155 b:20.1 occ:0.30 CA A:CA157 1.0 17.7 0.7 O A:THR115 2.0 37.8 1.0 OD1 A:ASP95 2.4 30.8 1.0 OD2 A:ASP95 2.5 41.6 1.0 OD1 A:ASN114 2.5 27.7 1.0 CG A:ASP95 2.7 30.7 1.0 O A:SER118 2.8 29.0 1.0 O A:VAL96 2.8 27.4 1.0 O A:HOH2078 2.9 27.0 1.0 OE2 A:GLU98 3.2 26.0 1.0 CG A:ASN114 3.3 40.3 1.0 C A:THR115 3.3 39.4 1.0 ND2 A:ASN114 3.4 31.8 1.0 N A:GLY117 3.8 33.2 1.0 N A:THR115 3.8 35.3 1.0 N A:SER118 3.9 29.3 1.0 C A:SER118 3.9 30.4 1.0 C A:VAL96 3.9 28.4 1.0 CA A:VAL116 4.1 37.6 1.0 N A:VAL116 4.1 37.2 1.0 CD A:GLU98 4.2 34.1 1.0 CA A:THR115 4.2 35.4 1.0 CB A:ASP95 4.3 25.6 1.0 CA A:SER118 4.4 28.0 1.0 C A:VAL116 4.4 39.9 1.0 N A:VAL96 4.5 24.8 1.0 OE1 A:GLU98 4.5 31.1 1.0 C A:GLY117 4.5 34.0 1.0 CA A:ASP97 4.5 25.0 1.0 CB A:ASN114 4.6 32.5 1.0 N A:ASP97 4.6 25.2 1.0 CA A:GLY117 4.7 31.8 1.0 C A:ASN114 4.7 39.3 1.0 N A:GLU98 4.8 25.2 1.0 CA A:ASN114 4.8 34.8 1.0 OG1 A:THR115 4.8 43.8 1.0 CA A:VAL96 4.9 25.7 1.0 C A:ASP95 4.9 27.6 1.0 O A:GLY75 5.0 26.8 1.0

Barium binding site 2 out of 2 in the Egf Domains 1,2,5 of Human EMR2, A 7-Tm Immune System Molecule, in Complex with Barium.


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Egf Domains 1,2,5 of Human EMR2, A 7-Tm Immune System Molecule, in Complex with Barium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba156 b:20.9 occ:0.30 CA A:CA158 0.8 14.2 0.7 O A:THR64 2.1 25.8 1.0 O A:SER67 2.3 25.4 1.0 O A:HOH2048 2.5 22.6 1.0 OD1 A:ASP43 2.5 25.1 1.0 OD1 A:ASN63 2.6 20.4 1.0 OE1 A:GLU46 2.9 26.1 1.0 O A:ILE44 3.0 22.0 1.0 OD2 A:ASP43 3.0 28.1 1.0 CG A:ASP43 3.1 24.3 1.0 N A:SER67 3.2 28.2 1.0 C A:SER67 3.3 27.0 1.0 C A:THR64 3.3 27.9 1.0 N A:GLY66 3.6 28.9 1.0 CA A:SER67 3.7 26.1 1.0 CG A:ASN63 3.7 24.6 1.0 N A:THR64 3.8 21.2 1.0 CD A:GLU46 3.9 34.9 1.0 C A:GLY66 3.9 32.3 1.0 OE2 A:GLU46 4.0 26.8 1.0 C A:ILE44 4.1 23.2 1.0 CA A:THR64 4.2 22.3 1.0 ND2 A:ASN63 4.2 20.2 1.0 N A:GLU65 4.2 28.2 1.0 CA A:GLY66 4.2 28.1 1.0 C A:GLU65 4.2 33.4 1.0 CA A:GLU65 4.3 28.9 1.0 OG1 A:THR64 4.5 31.2 1.0 N A:TYR68 4.5 22.9 1.0 N A:ILE44 4.6 20.8 1.0 CB A:ASP43 4.6 21.4 1.0 O A:GLY26 4.7 25.8 1.0 C A:ASN63 4.7 22.2 1.0 O A:GLY66 4.8 31.6 1.0 CB A:ASN63 4.9 17.2 1.0 N A:GLU46 4.9 20.9 1.0 CA A:ASN45 4.9 20.4 1.0 CA A:ASN63 4.9 17.3 1.0 N A:ASN45 5.0 20.7 1.0 CB A:TYR68 5.0 22.2 1.0

R.J.M.Abbott, I.Spendlove, P.Roversi, H.Fitzgibbon, V.Knott, P.Teriete, J.M.Mcdonnell, P.A.Handford, S.M.Lea. Structural and Functional Characterization of A Novel T Cell Receptor Co-Regulatory Protein Complex, CD97-CD55. J.Biol.Chem. V. 282 22023 2007.
ISSN: ISSN 0021-9258
PubMed: 17449467
DOI: 10.1074/JBC.M702588200