Calcium in PDB 3cjb: Actin Dimer Cross-Linked By V. Cholerae Martx Toxin and Complexed with Gelsolin-Segment 1

The structure of Actin Dimer Cross-Linked By V. Cholerae Martx Toxin and Complexed with Gelsolin-Segment 1, PDB code: 3cjb was solved by M.R.Sawaya, D.S.Kudryashov, I.Pashkov, E.Reisler, T.O.Yeates, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	90.91 / 3.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.696, 69.540, 182.106, 90.00, 90.00, 90.00
R / Rfree (%)	24.5 / 26.9

The binding sites of Calcium atom in the Actin Dimer Cross-Linked By V. Cholerae Martx Toxin and Complexed with Gelsolin-Segment 1 (pdb code 3cjb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Actin Dimer Cross-Linked By V. Cholerae Martx Toxin and Complexed with Gelsolin-Segment 1, PDB code: 3cjb:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Actin Dimer Cross-Linked By V. Cholerae Martx Toxin and Complexed with Gelsolin-Segment 1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Actin Dimer Cross-Linked By V. Cholerae Martx Toxin and Complexed with Gelsolin-Segment 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca376 b:2.0 occ:1.00 O2B A:ATP377 2.3 24.4 1.0 O1G A:ATP377 3.2 21.5 1.0 O3G A:ATP377 3.4 21.5 1.0 NE2 A:GLN137 3.5 32.4 1.0 PB A:ATP377 3.8 24.2 1.0 CD A:GLN137 3.8 32.0 1.0 PG A:ATP377 3.8 21.8 1.0 OD2 A:ASP11 3.9 36.1 1.0 OE1 A:GLN137 4.0 33.0 1.0 CA A:GLY13 4.1 35.0 1.0 OD1 A:ASP11 4.2 37.0 1.0 OD2 A:ASP154 4.2 36.9 1.0 OD1 A:ASP154 4.3 37.6 1.0 O3B A:ATP377 4.3 22.8 1.0 CG A:ASP11 4.5 37.1 1.0 NZ A:LYS18 4.5 32.0 1.0 CG A:GLN137 4.5 31.1 1.0 O2A A:ATP377 4.6 26.3 1.0 CG A:ASP154 4.7 37.0 1.0 O3A A:ATP377 4.7 25.1 1.0 O1B A:ATP377 4.8 24.0 1.0 N A:GLY13 4.8 35.5 1.0 CG2 A:VAL339 4.9 27.8 1.0 O A:ASN12 4.9 36.5 1.0 CB A:GLN137 5.0 30.0 1.0

Calcium binding site 2 out of 2 in the Actin Dimer Cross-Linked By V. Cholerae Martx Toxin and Complexed with Gelsolin-Segment 1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Actin Dimer Cross-Linked By V. Cholerae Martx Toxin and Complexed with Gelsolin-Segment 1 within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca126 b:4.7 occ:1.00 O G:VAL121 2.3 33.5 1.0 O G:GLY41 2.3 32.7 1.0 OD2 G:ASP42 2.5 33.3 1.0 OE1 G:GLU73 2.7 28.4 1.0 OE2 G:GLU73 2.8 28.5 1.0 CD G:GLU73 3.1 28.0 1.0 C G:VAL121 3.5 33.7 1.0 C G:GLY41 3.5 33.5 1.0 CG G:ASP42 3.7 33.6 1.0 OG G:SER70 3.9 26.7 1.0 CA G:ASP42 4.2 34.1 1.0 C G:GLY120 4.2 37.6 1.0 N G:VAL121 4.2 36.1 1.0 C G:ALA122 4.3 31.5 1.0 N G:ASP42 4.3 33.7 1.0 N G:ALA122 4.4 33.0 1.0 CA G:ALA122 4.4 32.3 1.0 O G:GLY120 4.4 37.1 1.0 N G:SER70 4.4 28.4 1.0 CA G:VAL121 4.5 34.8 1.0 CG G:GLU73 4.5 27.5 1.0 O G:ALA122 4.5 31.3 1.0 CB G:ASP42 4.5 33.9 1.0 N G:SER123 4.6 31.7 1.0 OD1 G:ASP42 4.6 33.6 1.0 CG1 G:VAL121 4.6 34.3 1.0 CA G:GLY41 4.6 33.9 1.0 CA G:CYS69 4.7 31.2 1.0 CA G:GLY120 4.7 39.1 1.0 CB G:SER70 4.9 27.1 1.0 O G:GLU68 5.0 35.1 1.0

D.S.Kudryashov, Z.A.Durer, A.J.Ytterberg, M.R.Sawaya, I.Pashkov, K.Prochazkova, T.O.Yeates, R.R.Loo, J.A.Loo, K.J.Satchell, E.Reisler. Connecting Actin Monomers By Iso-Peptide Bond Is A Toxicity Mechanism of the Vibrio Cholerae Martx Toxin. Proc.Natl.Acad.Sci.Usa V. 105 18537 2008.
ISSN: ISSN 0027-8424
PubMed: 19015515
DOI: 10.1073/PNAS.0808082105