Calcium in PDB 5cf3: Crystal Structures of Bbp From Staphylococcus Aureus

The structure of Crystal Structures of Bbp From Staphylococcus Aureus, PDB code: 5cf3 was solved by Y.Yu, X.Y.Zhang, J.K.Gu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.59 / 2.03
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	96.241, 98.924, 102.257, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 25.4

The binding sites of Calcium atom in the Crystal Structures of Bbp From Staphylococcus Aureus (pdb code 5cf3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structures of Bbp From Staphylococcus Aureus, PDB code: 5cf3:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structures of Bbp From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structures of Bbp From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:38.1 occ:1.00 O A:VAL25 2.3 35.6 1.0 OE1 A:GLU32 2.3 38.8 1.0 OE1 A:GLU18 2.4 43.7 1.0 O A:LYS21 2.5 40.0 1.0 OE2 A:GLU32 2.6 35.4 1.0 OD2 A:ASP23 2.7 53.4 1.0 CD A:GLU32 2.8 38.5 1.0 CB A:ASP23 3.0 45.8 1.0 CG A:ASP23 3.2 54.5 1.0 CD A:GLU18 3.5 44.5 1.0 C A:VAL25 3.5 36.9 1.0 C A:LYS21 3.6 46.2 1.0 N A:ASP23 3.7 50.7 1.0 CA A:ASP23 4.0 49.7 1.0 N A:LYS21 4.1 40.2 1.0 CB A:GLU18 4.1 35.9 1.0 NE2 A:GLN27 4.2 48.5 1.0 CG A:GLU18 4.3 40.2 1.0 CA A:LYS21 4.3 46.9 1.0 N A:VAL25 4.3 42.3 1.0 OE2 A:GLU18 4.3 45.9 1.0 CG A:GLU32 4.3 37.6 1.0 CA A:ILE26 4.4 35.5 1.0 N A:ILE26 4.4 36.5 1.0 OD1 A:ASP23 4.4 62.6 1.0 CA A:VAL25 4.4 40.9 1.0 CB A:LYS21 4.5 46.9 1.0 N A:GLN27 4.6 35.6 1.0 N A:ASP22 4.7 45.7 1.0 CG A:GLN27 4.7 45.2 1.0 C A:ASP22 4.8 52.3 1.0 N A:GLY24 4.8 44.2 1.0 CB A:VAL25 4.8 44.5 1.0 CA A:ASP22 4.9 52.5 1.0 C A:ASP23 4.9 50.0 1.0 CD A:GLN27 4.9 53.6 1.0 CD1 A:ILE26 4.9 37.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structures of Bbp From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structures of Bbp From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:31.3 occ:1.00 O A:ASN44 2.3 27.4 1.0 O A:VAL102 2.4 29.5 1.0 O A:VAL46 2.4 26.5 1.0 O A:HOH597 2.5 26.2 1.0 O A:HOH561 2.5 31.8 1.0 O A:HOH573 2.6 31.4 1.0 C A:ASN44 3.4 30.1 1.0 C A:VAL102 3.6 33.7 1.0 C A:VAL46 3.6 31.8 1.0 CA A:ASN44 4.0 32.1 1.0 N A:VAL46 4.1 32.3 1.0 CB A:VAL102 4.4 36.2 1.0 N A:ALA45 4.4 29.1 1.0 C A:ALA45 4.4 32.9 1.0 CA A:VAL46 4.4 31.7 1.0 OD1 A:ASP103 4.5 32.5 1.0 CA A:VAL102 4.5 33.9 1.0 O A:HOH614 4.5 32.1 1.0 N A:ASP103 4.5 30.6 1.0 CA A:ASP103 4.5 33.1 1.0 N A:LYS47 4.5 31.5 1.0 CA A:LYS47 4.6 31.4 1.0 O A:ASP43 4.7 29.9 1.0 CB A:ASN44 4.7 33.2 1.0 O A:TYR105 4.7 35.2 1.0 CA A:ALA45 4.8 29.5 1.0 O A:ALA45 5.0 32.2 1.0

X.Y.Zhang, M.Wu, W.Zhuo, J.K.Gu, S.S.Zhang, J.P.Ge, M.J.Yang. Crystal Structures of Bbp From Staphylococcus Aureus Reveal the Ligand Binding Mechanism with Fibrinogen Alpha Protein Cell V. 6 757 2015.
ISSN: ESSN 1674-8018
PubMed: 26349459
DOI: 10.1007/S13238-015-0205-X