Calcium in PDB 2dpr: The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GLU) 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(K7GLU) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif, PDB code: 2dpr 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)	10.00 / 1.70
Space group	P 43 3 2
Cell size a, b, c (Å), α, β, γ (°)	89.013, 89.013, 89.013, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 18.6

The binding sites of Calcium atom in the The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GLU) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif (pdb code 2dpr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GLU) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif, PDB code: 2dpr:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GLU) 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(K7GLU) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:25.4 occ:1.00 OE21 A:CGU3 2.2 24.3 1.0 OE12 A:CGU3 2.3 30.2 1.0 OE22 A:CGU7 2.3 27.6 1.0 O A:HOH130 2.5 39.1 1.0 OE11 A:CGU7 2.5 25.9 1.0 CD2 A:CGU3 3.2 25.8 1.0 CD1 A:CGU3 3.3 30.7 1.0 CD2 A:CGU7 3.3 29.3 1.0 CD1 A:CGU7 3.3 24.4 1.0 CG A:CGU3 3.5 28.7 1.0 CG A:CGU7 3.6 24.5 1.0 O A:HOH136 3.8 34.2 1.0 OE22 A:CGU3 4.3 25.0 1.0 O A:HOH143 4.4 91.1 1.0 OE12 A:CGU7 4.4 28.5 1.0 OE11 A:CGU3 4.5 35.0 1.0 OE21 A:CGU7 4.5 38.9 1.0 O A:CGU3 4.9 28.9 1.0 O A:HOH124 4.9 59.5 1.0

Calcium binding site 2 out of 4 in the The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GLU) 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(K7GLU) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:21.1 occ:1.00 O B:HOH146 2.5 32.7 1.0 OE11 B:CGU7 2.5 22.6 1.0 OE11 B:CGU10 2.6 19.3 1.0 CD1 B:CGU7 3.5 21.0 1.0 CD1 B:CGU10 3.5 20.3 1.0 OE12 B:CGU10 3.7 21.7 1.0 OE12 B:CGU7 3.7 22.1 1.0 CA B:CA104 3.9 20.6 1.0 O B:HOH137 4.2 31.9 1.0 O B:HOH153 4.3 53.7 1.0 O B:HOH133 4.7 31.6 1.0 O B:HOH177 4.7 54.5 1.0 CG B:CGU7 4.8 19.0 1.0 OE21 B:CGU3 4.9 20.9 1.0 CG B:CGU10 4.9 17.5 1.0

Calcium binding site 3 out of 4 in the The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GLU) 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(K7GLU) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca103 b:23.2 occ:1.00 OE11 B:CGU14 2.4 23.5 1.0 OE21 B:CGU10 2.4 19.9 1.0 O B:HOH137 2.5 31.9 1.0 OE21 B:CGU14 2.5 23.4 1.0 OE12 B:CGU10 2.6 21.7 1.0 CD2 B:CGU10 3.3 16.5 1.0 CD1 B:CGU14 3.4 22.2 1.0 CD2 B:CGU14 3.4 21.9 1.0 CD1 B:CGU10 3.5 20.3 1.0 CG B:CGU10 3.7 17.5 1.0 CG B:CGU14 3.8 19.1 1.0 NH2 B:ARG13 4.1 24.8 1.0 OE12 B:CGU14 4.4 23.3 1.0 OE22 B:CGU10 4.4 19.2 1.0 O B:HOH131 4.5 35.6 1.0 OE22 B:CGU14 4.5 31.7 1.0 OE11 B:CGU10 4.6 19.3 1.0

Calcium binding site 4 out of 4 in the The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GLU) 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 4 of The Crystal Structures of the Calcium-Bound Con-G and Con-T(K7GLU) Dimeric Peptides Demonstrate A Novel Metal-Dependent Helix-Forming Motif within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca104 b:20.6 occ:1.00 OE21 B:CGU3 2.2 20.9 1.0 OE22 B:CGU7 2.3 20.0 1.0 OE12 B:CGU3 2.4 23.9 1.0 OE11 B:CGU7 2.5 22.6 1.0 O B:HOH133 2.5 31.6 1.0 CD2 B:CGU3 3.2 19.8 1.0 CD2 B:CGU7 3.3 21.1 1.0 CD1 B:CGU7 3.3 21.0 1.0 CD1 B:CGU3 3.3 22.1 1.0 O B:HOH146 3.5 32.7 1.0 CG B:CGU3 3.5 20.1 1.0 CG B:CGU7 3.6 19.0 1.0 O B:HOH167 3.6 64.7 1.0 CA B:CA101 3.9 21.1 1.0 O B:HOH163 4.0 70.4 1.0 O B:HOH166 4.1 53.4 1.0 OE22 B:CGU3 4.3 19.9 1.0 OE12 B:CGU7 4.4 22.1 1.0 OE21 B:CGU7 4.5 24.5 1.0 OE11 B:CGU3 4.5 23.5 1.0 O B:CGU3 5.0 18.5 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