Calcium in PDB 2dpq: The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GAMMA) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif

The structure of The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GAMMA) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif, PDB code: 2dpq was solved by S.E.Cnudde, M.Prorok, Q.Dai, F.J.Castellino, J.H.Geiger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.25
Space group	P 42 2 2
Cell size a, b, c (Å), α, β, γ (°)	29.334, 29.334, 46.892, 90.00, 90.00, 90.00
R / Rfree (%)	11.9 / 16.1

The structure of The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GAMMA) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GAMMA) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif (pdb code 2dpq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GAMMA) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif, PDB code: 2dpq:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GAMMA) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GAMMA) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:13.4 occ:0.50 OE11 A:CGU10 2.3 16.2 1.0 OE12 A:CGU7 2.5 14.0 1.0 O A:HOH137 2.5 14.7 1.0 OE11 A:CGU7 2.6 14.6 1.0 CD1 A:CGU7 2.8 13.9 1.0 CD1 A:CGU10 3.4 14.8 1.0 OE12 A:CGU10 3.8 16.7 1.0 O A:HOH141 4.2 25.9 1.0 CG A:CGU7 4.3 14.0 1.0 O A:HOH127 4.5 45.8 1.0 O A:HOH135 4.5 15.2 1.0 CA A:CA103 4.6 20.5 1.0 CG A:CGU10 4.7 13.5 1.0 CB A:CGU10 4.8 13.6 1.0 CA A:CGU7 4.9 13.4 1.0 CB A:CGU7 5.0 13.7 1.0

Calcium binding site 2 out of 3 in the The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GAMMA) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GAMMA) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:17.0 occ:1.00 OE1 A:GLN6 2.3 15.5 1.0 OE22 A:CGU3 2.4 19.8 1.0 OE21 A:CGU3 2.6 19.5 1.0 CD2 A:CGU3 2.9 19.1 1.0 CD A:GLN6 3.5 18.0 1.0 NE2 A:GLN6 4.2 23.4 1.0 O A:HOH108 4.2 30.3 0.8 O A:HOH108 4.4 17.2 0.2 CG A:CGU3 4.4 20.1 1.0 CB A:GLN6 4.4 14.5 1.0 CA A:CA103 4.5 20.5 1.0 CG A:GLN6 4.5 16.0 1.0 O A:HOH148 4.6 64.5 1.0 O A:HOH123 4.6 36.5 1.0 O A:HOH137 4.7 14.7 1.0 OE12 A:CGU3 5.0 20.5 1.0

Calcium binding site 3 out of 3 in the The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GAMMA) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GAMMA) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca103 b:20.5 occ:1.00 OE11 A:CGU7 2.3 14.6 1.0 OE21 A:CGU3 2.3 19.5 1.0 OE12 A:CGU3 2.4 20.5 1.0 OE22 A:CGU7 2.4 18.3 1.0 O A:HOH141 2.6 25.9 1.0 CD2 A:CGU3 3.2 19.1 1.0 CD1 A:CGU3 3.3 21.5 1.0 CD1 A:CGU7 3.3 13.9 1.0 CD2 A:CGU7 3.3 18.4 1.0 CG A:CGU3 3.4 20.1 1.0 CG A:CGU7 3.6 14.0 1.0 O A:HOH117 4.3 37.3 1.0 OE22 A:CGU3 4.3 19.8 1.0 OE12 A:CGU7 4.4 14.0 1.0 OE21 A:CGU7 4.5 19.4 1.0 OE11 A:CGU3 4.5 27.4 1.0 CA A:CA102 4.5 17.0 1.0 O A:HOH163 4.6 61.5 1.0 CA A:CA101 4.6 13.4 0.5 O A:HOH137 4.8 14.7 1.0 CB A:CGU3 4.8 19.6 1.0 O A:CGU3 5.0 15.9 1.0

S.E.Cnudde, M.Prorok, Q.Dai, F.J.Castellino, J.H.Geiger. The Crystal Structures of the Calcium-Bound Con-G and Con-T[K7GAMMA] Dimeric Peptides Demonstrate A Metal-Dependent Helix-Forming Motif J.Am.Chem.Soc. V. 129 1586 2007.
ISSN: ISSN 0002-7863
PubMed: 17243678
DOI: 10.1021/JA065722Q