Calcium in PDB 1u5r: Crystal Structure of the TAO2 Kinase Domain: Activation and Specifity of A STE20P MAP3K

The structure of Crystal Structure of the TAO2 Kinase Domain: Activation and Specifity of A STE20P MAP3K, PDB code: 1u5r was solved by T.Zhou, M.Raman, Y.Gao, S.Earnest, Z.Chen, M.Machius, M.H.Cobb, E.J.Goldsmith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	186.467, 186.467, 91.100, 90.00, 90.00, 120.00
R / Rfree (%)	21.1 / 24.4

The structure of Crystal Structure of the TAO2 Kinase Domain: Activation and Specifity of A STE20P MAP3K also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of the TAO2 Kinase Domain: Activation and Specifity of A STE20P MAP3K (pdb code 1u5r). 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 Structure of the TAO2 Kinase Domain: Activation and Specifity of A STE20P MAP3K, PDB code: 1u5r:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the TAO2 Kinase Domain: Activation and Specifity of A STE20P MAP3K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the TAO2 Kinase Domain: Activation and Specifity of A STE20P MAP3K within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:43.6 occ:1.00 OD1 A:ASN180 2.5 25.6 1.0 O1P A:SEP181 2.6 33.0 1.0 O A:HOH642 2.7 33.3 1.0 O A:HOH752 2.8 48.7 1.0 CG A:ASN180 3.5 30.8 1.0 P A:SEP181 3.6 31.4 1.0 O2P A:SEP181 3.8 28.2 1.0 OG A:SEP181 3.8 28.9 1.0 ND2 A:ASN180 4.0 33.6 1.0 O A:HOH753 4.1 57.2 1.0 N A:ASN180 4.4 23.5 1.0 CB A:ASN180 4.7 25.3 1.0 N A:SEP181 4.8 24.0 1.0 O A:HOH640 4.8 42.0 1.0 CA A:ASN180 4.9 23.3 1.0 C A:ASN180 5.0 23.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the TAO2 Kinase Domain: Activation and Specifity of A STE20P MAP3K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the TAO2 Kinase Domain: Activation and Specifity of A STE20P MAP3K within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca602 b:86.3 occ:1.00 O B:HOH681 2.9 57.2 1.0 ND2 B:ASN180 3.1 51.4 1.0 O1P B:SEP181 3.2 49.2 1.0 OD1 B:ASN180 3.2 48.7 1.0 O2P B:SEP181 3.3 49.0 1.0 CG B:ASN180 3.5 46.6 1.0 P B:SEP181 3.8 43.5 1.0 OG B:SEP181 4.4 47.8 1.0 O B:HOH678 4.7 42.7 1.0 N B:ASN180 4.8 39.6 1.0 CB B:ASN180 5.0 44.5 1.0

T.Zhou, M.Raman, Y.Gao, S.Earnest, Z.Chen, M.Machius, M.H.Cobb, E.J.Goldsmith. Crystal Structure of the TAO2 Kinase Domain; Activation and Specificity of A STE20P MAP3K. Structure V. 12 1891 2004.
ISSN: ISSN 0969-2126
PubMed: 15458637
DOI: 10.1016/J.STR.2004.07.021