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Calcium in PDB 3pal: Ionic Interactions with Parvalbumins. Crystal Structure Determination of Pike 4.10 Parvalbumin in Four Different Ionic Environments

Protein crystallography data

The structure of Ionic Interactions with Parvalbumins. Crystal Structure Determination of Pike 4.10 Parvalbumin in Four Different Ionic Environments, PDB code: 3pal was solved by J.P.Declercq, B.Tinant, J.Parello, J.Rambaud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.40
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 57.800, 57.800, 90.100, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / n/a

Other elements in 3pal:

The structure of Ionic Interactions with Parvalbumins. Crystal Structure Determination of Pike 4.10 Parvalbumin in Four Different Ionic Environments also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Ionic Interactions with Parvalbumins. Crystal Structure Determination of Pike 4.10 Parvalbumin in Four Different Ionic Environments (pdb code 3pal). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Ionic Interactions with Parvalbumins. Crystal Structure Determination of Pike 4.10 Parvalbumin in Four Different Ionic Environments, PDB code: 3pal:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3pal

Go back to Calcium Binding Sites List in 3pal
Calcium binding site 1 out of 2 in the Ionic Interactions with Parvalbumins. Crystal Structure Determination of Pike 4.10 Parvalbumin in Four Different Ionic Environments


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ionic Interactions with Parvalbumins. Crystal Structure Determination of Pike 4.10 Parvalbumin in Four Different Ionic Environments within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca110

b:6.7
occ:1.00
O A:HOH246 2.1 5.0 1.0
OD2 A:ASP90 2.2 5.0 1.0
OD1 A:ASP92 2.3 17.7 1.0
OD1 A:ASP94 2.3 6.0 1.0
O A:MET96 2.3 9.6 1.0
OE1 A:GLU101 2.5 13.5 1.0
OE2 A:GLU101 2.7 6.8 1.0
CD A:GLU101 3.0 5.0 1.0
CG A:ASP94 3.2 5.0 1.0
CG A:ASP90 3.3 5.8 1.0
CG A:ASP92 3.4 11.4 1.0
C A:MET96 3.5 5.2 1.0
OD2 A:ASP94 3.6 21.4 1.0
N A:ASP94 3.9 5.6 1.0
OD2 A:ASP92 3.9 36.1 1.0
CA A:ASP90 4.0 5.0 1.0
N A:MET96 4.1 5.0 1.0
CB A:ASP90 4.1 5.0 1.0
OD1 A:ASP90 4.2 5.0 1.0
CB A:ASP94 4.3 5.0 1.0
N A:ASP92 4.3 8.2 1.0
C A:ASP90 4.4 5.0 1.0
N A:ILE97 4.4 12.4 1.0
CA A:ASP94 4.4 5.0 1.0
CA A:ILE97 4.4 8.1 1.0
N A:GLY93 4.4 5.0 1.0
CA A:MET96 4.5 5.0 1.0
CG A:GLU101 4.5 18.9 1.0
N A:GLY95 4.5 11.4 1.0
CB A:ASP92 4.7 5.0 1.0
N A:LYS91 4.7 5.0 1.0
C A:ASP92 4.8 19.4 1.0
C A:ASP94 4.8 10.6 1.0
CA A:ASP92 4.8 5.0 1.0
N A:GLY98 4.9 5.0 1.0
O A:ASP90 5.0 16.8 1.0

Calcium binding site 2 out of 2 in 3pal

Go back to Calcium Binding Sites List in 3pal
Calcium binding site 2 out of 2 in the Ionic Interactions with Parvalbumins. Crystal Structure Determination of Pike 4.10 Parvalbumin in Four Different Ionic Environments


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Ionic Interactions with Parvalbumins. Crystal Structure Determination of Pike 4.10 Parvalbumin in Four Different Ionic Environments within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca111

b:7.7
occ:1.00
OD1 A:ASP51 2.2 5.0 1.0
O A:PHE57 2.3 5.7 1.0
OG A:SER55 2.4 5.0 1.0
OE1 A:GLU62 2.5 6.1 1.0
OD1 A:ASP53 2.5 9.4 1.0
OE1 A:GLU59 2.5 5.7 1.0
OE2 A:GLU62 2.6 13.4 1.0
CD A:GLU62 2.9 7.4 1.0
CG A:ASP51 3.3 5.0 1.0
CD A:GLU59 3.4 5.0 1.0
C A:PHE57 3.5 5.0 1.0
CG A:ASP53 3.5 5.0 1.0
OE2 A:GLU59 3.5 6.2 1.0
CB A:SER55 3.7 5.0 1.0
N A:SER55 3.8 7.1 1.0
CA A:ASP51 3.9 5.0 1.0
N A:ASP53 4.0 5.0 1.0
OD2 A:ASP53 4.0 5.0 1.0
CB A:ASP51 4.1 5.0 1.0
C A:ASP51 4.1 14.1 1.0
OD2 A:ASP51 4.1 6.0 1.0
O A:HOH288 4.2 11.4 1.0
CA A:ILE58 4.2 17.3 1.0
N A:ILE58 4.3 6.2 1.0
N A:GLN52 4.3 7.6 1.0
CG A:GLU62 4.3 5.0 1.0
N A:GLU59 4.3 8.1 1.0
N A:PHE57 4.4 5.0 1.0
N A:LYS54 4.4 18.3 1.0
CA A:SER55 4.4 5.0 1.0
CA A:ASP53 4.5 5.0 1.0
C A:ASP53 4.5 5.6 1.0
CA A:PHE57 4.5 5.0 1.0
CB A:ASP53 4.6 5.0 1.0
O A:HOH256 4.6 21.7 1.0
CG A:GLU59 4.8 5.0 1.0
C A:ILE58 4.8 6.0 1.0
O A:ASP51 4.9 8.2 1.0
C A:LYS54 4.9 5.1 1.0
CB A:GLU59 5.0 6.5 1.0
N A:GLY56 5.0 10.6 1.0
CB A:GLU62 5.0 5.0 1.0
C A:SER55 5.0 14.9 1.0

Reference:

J.P.Declercq, B.Tinant, J.Parello, J.Rambaud. Ionic Interactions with Parvalbumins. Crystal Structure Determination of Pike 4.10 Parvalbumin in Four Different Ionic Environments. J.Mol.Biol. V. 220 1017 1991.
ISSN: ISSN 0022-2836
PubMed: 1880797
DOI: 10.1016/0022-2836(91)90369-H
Page generated: Sat Dec 12 04:24:29 2020

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