Calcium in PDB 3sge: Crystal Structure of Mab 17.2 in Complex with R13 Peptide

The structure of Crystal Structure of Mab 17.2 in Complex with R13 Peptide, PDB code: 3sge was solved by J.C.Pizarro, G.Boulot, M.Hontebeyrie, G.A.Bentley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.69 / 1.89
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	83.000, 68.210, 92.120, 90.00, 98.37, 90.00
R / Rfree (%)	17.9 / 21.1

The binding sites of Calcium atom in the Crystal Structure of Mab 17.2 in Complex with R13 Peptide (pdb code 3sge). 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 Mab 17.2 in Complex with R13 Peptide, PDB code: 3sge:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Mab 17.2 in Complex with R13 Peptide


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 Mab 17.2 in Complex with R13 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ L:Ca220 b:50.1 occ:1.00 O L:HOH738 2.1 41.1 1.0 OD2 L:ASP31 2.4 46.1 1.0 O L:SER97 2.5 31.2 1.0 O L:HOH477 2.6 48.2 1.0 O L:HOH503 2.8 61.7 1.0 CG L:ASP31 3.3 42.3 1.0 OD1 L:ASP31 3.5 42.8 1.0 C L:SER97 3.7 32.7 1.0 O L:HOH271 4.0 37.5 1.0 ND1 L:HIS98 4.4 38.9 1.0 CG K:LEU11 4.4 72.3 1.0 CD1 K:LEU11 4.5 72.6 1.0 CA L:HIS98 4.5 31.2 1.0 N L:HIS98 4.5 30.6 1.0 CA L:SER97 4.6 25.4 1.0 CD2 K:LEU11 4.7 75.8 1.0 CB L:ASP31 4.7 35.0 1.0 O L:HOH705 4.7 53.7 1.0 O K:HOH98 4.8 47.6 1.0 CE1 L:HIS98 4.9 38.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Mab 17.2 in Complex with R13 Peptide


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 Mab 17.2 in Complex with R13 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ I:Ca220 b:69.0 occ:1.00 O I:HOH594 2.1 38.3 1.0 OD1 I:ASP31 2.5 55.0 1.0 OD2 I:ASP31 2.6 57.7 1.0 O I:SER97 2.8 42.2 1.0 CG I:ASP31 2.9 55.4 1.0 O M:HOH716 3.5 59.4 1.0 CD1 M:LEU11 3.8 84.6 1.0 C I:SER97 3.8 42.5 1.0 O I:HOH248 4.0 52.8 1.0 CB I:ASP31 4.4 47.8 1.0 CA I:SER97 4.4 35.9 1.0 C M:GLY10 4.4 48.4 1.0 CA M:GLY10 4.5 40.8 1.0 CG M:LEU11 4.6 84.4 1.0 O M:GLY10 4.7 51.7 1.0 N M:LEU11 4.7 43.3 1.0 N I:HIS98 4.9 38.9 1.0 O I:GLY96 4.9 37.4 1.0 CE L:LYS24 4.9 58.5 1.0

J.C.Pizarro, G.Boulot, G.A.Bentley, K.A.Gomez, J.Hoebeke, M.Hontebeyrie, M.J.Levin, C.R.Smulski. Crystal Structure of the Complex Mab 17.2 and the C-Terminal Region of Trypanosoma Cruzi P2 Beta Protein: Implications in Cross-Reactivity Plos Negl Trop Dis V. 5 E1375 2011.
ISSN: ISSN 1935-2727
PubMed: 22069505
DOI: 10.1371/JOURNAL.PNTD.0001375