Calcium in PDB 6bs3: Crystal Structure of Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis

Protein crystallography data

The structure of Crystal Structure of Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis, PDB code: 6bs3 was solved by H.Li, K.Hu, A.Kovach, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.19 / 2.30
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 121.340, 121.340, 120.973, 90.00, 90.00, 120.00
R / Rfree (%) 19.6 / 22.9

Other elements in 6bs3:

The structure of Crystal Structure of Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis (pdb code 6bs3). 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 Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis, PDB code: 6bs3:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 6bs3

Go back to Calcium Binding Sites List in 6bs3
Calcium binding site 1 out of 2 in the Crystal Structure of Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis


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 Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca403

b:0.4
occ:1.00
O B:HOH529 2.6 91.5 1.0
O B:GLY47 3.3 49.4 1.0
HN1 B:IMD402 3.5 98.8 1.0
N1 B:IMD402 3.7 98.7 1.0
H5 B:IMD402 3.9 97.1 1.0
C5 B:IMD402 3.9 97.1 1.0
O B:HOH516 4.0 60.8 1.0
C B:GLY47 4.1 50.3 1.0
CA B:GLY47 4.3 50.2 1.0
C2 B:IMD402 4.4 94.0 1.0
O B:PRO84 4.6 54.7 1.0
C4 B:IMD402 4.7 94.1 1.0
H2 B:IMD402 4.9 94.0 1.0
N3 B:IMD402 5.0 91.8 1.0

Calcium binding site 2 out of 2 in 6bs3

Go back to Calcium Binding Sites List in 6bs3
Calcium binding site 2 out of 2 in the Crystal Structure of Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis


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 Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca404

b:93.9
occ:1.00
O B:LEU165 2.7 50.0 1.0
O B:HOH607 2.7 49.7 1.0
CG B:LYS169 2.8 50.1 1.0
N B:LYS169 2.9 45.7 1.0
CB B:LYS169 3.3 47.9 1.0
CD B:PRO168 3.3 43.6 1.0
CD B:LYS169 3.4 54.5 1.0
C B:LEU165 3.5 49.7 1.0
CB B:PRO168 3.6 43.9 1.0
CE B:LYS169 3.6 62.1 1.0
CA B:LYS169 3.7 45.9 1.0
N B:PRO168 3.7 44.2 1.0
C B:PRO168 3.8 48.6 1.0
CG B:PRO168 3.8 46.6 1.0
C B:ASP166 3.9 47.6 1.0
CA B:PRO168 3.9 43.8 1.0
O B:ASP166 3.9 45.8 1.0
CA B:ASP166 4.0 44.9 1.0
N B:ASP166 4.0 45.9 1.0
O B:HOH508 4.5 45.4 1.0
N B:ALA167 4.5 44.8 1.0
CA B:LEU165 4.6 45.5 1.0
CD1 B:TYR239 4.6 53.3 1.0
C B:ALA167 4.6 47.9 1.0
O B:HOH541 4.7 51.7 1.0
O B:PHE164 4.8 45.8 1.0
O B:PRO168 4.9 49.6 1.0
C B:LYS169 4.9 50.8 1.0
NZ B:LYS169 5.0 69.2 1.0

Reference:

K.Hu, A.T.Jordan, S.Zhang, A.Dhabaria, A.Kovach, M.V.Rangel, B.Ueberheide, H.Li, K.H.Darwin. Characterization of Guided Entry of Tail-Anchored Proteins 3 Homologues in Mycobacterium Tuberculosis. J.Bacteriol. V. 201 2019.
ISSN: ESSN 1098-5530
PubMed: 31036728
DOI: 10.1128/JB.00159-19
Page generated: Sat Dec 12 05:59:52 2020

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