Calcium in PDB 5hht: Crystal Structure of E. Coli Transketolase Triple Variant SER385TYR/ASP469THR/ARG520GLN

All present enzymatic activity of Crystal Structure of E. Coli Transketolase Triple Variant SER385TYR/ASP469THR/ARG520GLN:
2.2.1.1;

The structure of Crystal Structure of E. Coli Transketolase Triple Variant SER385TYR/ASP469THR/ARG520GLN, PDB code: 5hht was solved by S.Dai, K.Tittmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.38 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	89.944, 102.044, 133.076, 90.00, 90.00, 90.00
R / Rfree (%)	12.6 / 15.7

The binding sites of Calcium atom in the Crystal Structure of E. Coli Transketolase Triple Variant SER385TYR/ASP469THR/ARG520GLN (pdb code 5hht). 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 E. Coli Transketolase Triple Variant SER385TYR/ASP469THR/ARG520GLN, PDB code: 5hht:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of E. Coli Transketolase Triple Variant SER385TYR/ASP469THR/ARG520GLN


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 E. Coli Transketolase Triple Variant SER385TYR/ASP469THR/ARG520GLN within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:4.4 occ:1.00 O21 A:TDP703 2.3 7.7 1.0 O12 A:TDP703 2.3 7.5 1.0 O A:ILE187 2.3 5.6 1.0 OD2 A:ASP155 2.3 7.0 1.0 OD1 A:ASN185 2.4 4.8 1.0 O A:HOH980 2.4 5.8 1.0 CG A:ASN185 3.3 5.2 1.0 CG A:ASP155 3.4 6.6 1.0 P1 A:TDP703 3.5 9.7 1.0 P2 A:TDP703 3.5 10.5 1.0 C A:ILE187 3.5 5.7 1.0 ND2 A:ASN185 3.5 6.4 1.0 O11 A:TDP703 3.7 9.8 1.0 CB A:ASP155 3.8 4.0 1.0 N A:ILE187 4.0 5.3 1.0 N A:ASP155 4.1 4.5 1.0 CA A:ILE187 4.3 5.7 1.0 O5G A:TDP703 4.3 18.2 1.0 O22 A:TDP703 4.3 16.0 1.0 O A:HOH813 4.4 12.0 1.0 OD1 A:ASP155 4.5 7.3 1.0 O A:ASP183 4.5 6.5 1.0 N A:SER188 4.5 5.4 1.0 O13 A:TDP703 4.5 14.4 1.0 CA A:ASP155 4.6 4.5 1.0 CA A:SER188 4.7 4.5 1.0 CB A:ASN185 4.7 5.2 1.0 CB A:ILE187 4.7 6.4 1.0 O23 A:TDP703 4.7 18.8 1.0 N A:GLY186 4.8 5.0 1.0 N A:ASN185 4.9 4.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of E. Coli Transketolase Triple Variant SER385TYR/ASP469THR/ARG520GLN


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 E. Coli Transketolase Triple Variant SER385TYR/ASP469THR/ARG520GLN within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca712 b:5.5 occ:1.00 O12 B:TDP711 2.3 7.0 1.0 O B:ILE187 2.3 7.2 1.0 O21 B:TDP711 2.3 6.5 1.0 OD2 B:ASP155 2.3 6.5 1.0 O B:HOH997 2.3 5.8 1.0 OD1 B:ASN185 2.4 4.4 1.0 CG B:ASN185 3.2 5.0 1.0 CG B:ASP155 3.3 6.7 1.0 P1 B:TDP711 3.5 10.0 1.0 ND2 B:ASN185 3.5 5.0 1.0 C B:ILE187 3.5 4.7 1.0 P2 B:TDP711 3.5 10.3 1.0 O11 B:TDP711 3.7 10.1 1.0 CB B:ASP155 3.8 5.8 1.0 N B:ILE187 4.0 5.3 1.0 N B:ASP155 4.1 5.4 1.0 CA B:ILE187 4.3 5.7 1.0 O5G B:TDP711 4.3 17.9 1.0 O B:HOH837 4.4 10.5 1.0 O22 B:TDP711 4.4 16.5 1.0 OD1 B:ASP155 4.4 7.2 1.0 N B:SER188 4.5 4.2 1.0 O B:ASP183 4.5 5.9 1.0 O13 B:TDP711 4.6 17.5 1.0 CA B:ASP155 4.6 6.2 1.0 CA B:SER188 4.6 5.2 1.0 CB B:ASN185 4.7 4.9 1.0 O23 B:TDP711 4.7 19.4 1.0 CB B:ILE187 4.7 6.6 1.0 N B:GLY186 4.8 4.6 1.0 N B:ASN185 4.9 4.1 1.0 C B:ASN185 5.0 4.1 1.0

P.E.Affaticati, S.B.Dai, P.Payongsri, H.C.Hailes, K.Tittmann, P.A.Dalby. Structural Analysis of An Evolved Transketolase Reveals Divergent Binding Modes. Sci Rep V. 6 35716 2016.
ISSN: ESSN 2045-2322
PubMed: 27767080
DOI: 10.1038/SREP35716