Calcium in PDB 4jml: Crystal Structure of the Tolb(P201C)-COLICINE9 Tbe Peptide(A33C) Complex.

The structure of Crystal Structure of the Tolb(P201C)-COLICINE9 Tbe Peptide(A33C) Complex., PDB code: 4jml was solved by J.A.Wojdyla, A.Klein, C.Kleanthous, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.78 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.089, 81.420, 126.437, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 22.6

The binding sites of Calcium atom in the Crystal Structure of the Tolb(P201C)-COLICINE9 Tbe Peptide(A33C) Complex. (pdb code 4jml). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the Tolb(P201C)-COLICINE9 Tbe Peptide(A33C) Complex., PDB code: 4jml:

Calcium binding site 1 out of 1 in the Crystal Structure of the Tolb(P201C)-COLICINE9 Tbe Peptide(A33C) Complex.


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 Tolb(P201C)-COLICINE9 Tbe Peptide(A33C) Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:36.2 occ:1.00 OD1 A:ASP336 2.4 29.4 1.0 O A:HOH694 2.5 30.4 1.0 O A:HOH723 2.5 47.9 1.0 O A:HOH616 2.6 26.6 1.0 O A:HOH631 2.6 32.0 1.0 O A:HOH641 2.6 32.4 1.0 O A:HOH748 2.7 34.2 1.0 O A:HOH764 2.8 44.3 1.0 CG A:ASP336 3.5 29.4 1.0 OD2 A:ASP336 3.9 28.1 1.0 O A:HOH671 4.0 30.0 1.0 O A:HOH815 4.0 0.7 1.0 O A:ALA337 4.2 24.0 1.0 O E:HOH102 4.5 31.1 1.0 O A:HOH668 4.5 32.2 1.0 O A:HOH749 4.5 41.4 1.0 O A:ASP336 4.6 25.1 1.0 O A:HOH660 4.6 27.1 1.0 C A:ASP336 4.6 27.4 1.0 CB A:ASP336 4.7 28.6 1.0 O A:PRO380 4.7 24.1 1.0 O A:HOH703 4.8 42.8 1.0 CA A:ASP336 4.8 28.0 1.0 CB A:GLU292 4.9 24.2 1.0 N A:ALA337 5.0 22.9 1.0

N.G.Housden, J.T.Hopper, N.Lukoyanova, D.Rodriguez-Larrea, J.A.Wojdyla, A.Klein, R.Kaminska, H.Bayley, H.R.Saibil, C.V.Robinson, C.Kleanthous. Intrinsically Disordered Protein Threads Through the Bacterial Outer-Membrane Porin Ompf. Science V. 340 1570 2013.
ISSN: ISSN 0036-8075
PubMed: 23812713
DOI: 10.1126/SCIENCE.1237864