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Strontium in PDB 3px1: Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Strontium

Protein crystallography data

The structure of Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Strontium, PDB code: 3px1 was solved by S.Kumar, S.Kumar, E.Ahmad, R.H.Khan, S.Gourinath, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 3.00
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 95.429, 95.429, 63.973, 90.00, 90.00, 120.00
R / Rfree (%) 23.5 / 28.1

Strontium Binding Sites:

The binding sites of Strontium atom in the Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Strontium (pdb code 3px1). This binding sites where shown within 5.0 Angstroms radius around Strontium atom.
In total 4 binding sites of Strontium where determined in the Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Strontium, PDB code: 3px1:
Jump to Strontium binding site number: 1; 2; 3; 4;

Strontium binding site 1 out of 4 in 3px1

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Strontium binding site 1 out of 4 in the Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Strontium


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 1 of Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Strontium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sr149

b:49.1
occ:1.00
OD1 A:ASN12 2.5 82.2 1.0
O A:ALA16 2.6 78.5 1.0
OD1 A:ASP10 2.7 79.5 1.0
OE1 A:GLU21 2.8 83.9 1.0
OE2 A:GLU21 2.8 82.9 1.0
OD1 A:ASP14 2.9 80.4 1.0
CD A:GLU21 3.0 83.9 1.0
CG A:ASP14 3.3 81.6 1.0
OD2 A:ASP14 3.3 83.4 1.0
CG A:ASN12 3.3 79.6 1.0
ND2 A:ASN12 3.5 78.0 1.0
C A:ALA16 3.5 78.9 1.0
CG A:ASP10 3.9 83.0 1.0
N A:SER18 4.3 77.3 1.0
CG A:GLU21 4.3 83.7 1.0
N A:VAL17 4.3 78.3 1.0
CA A:ALA16 4.3 78.8 1.0
CB A:ALA16 4.4 77.0 1.0
CA A:VAL17 4.4 77.8 1.0
N A:ALA16 4.4 78.8 1.0
CB A:ASP14 4.5 79.0 1.0
N A:ASP14 4.6 77.7 1.0
OD2 A:ASP10 4.7 82.9 1.0
CB A:ASN12 4.7 78.8 1.0
CB A:ASP10 4.8 82.3 1.0
C A:VAL17 4.8 78.0 1.0
CA A:ASP10 4.8 81.3 1.0
CB A:SER18 4.9 77.7 1.0
N A:ASN12 4.9 79.0 1.0
OG A:SER18 5.0 77.4 1.0

Strontium binding site 2 out of 4 in 3px1

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Strontium binding site 2 out of 4 in the Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Strontium


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 2 of Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Strontium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sr150

b:61.5
occ:1.00
OD1 A:ASN50 2.5 92.1 1.0
O A:GLU52 2.6 89.8 1.0
OD1 A:ASP46 2.6 88.4 1.0
OE1 A:GLU57 2.6 88.4 1.0
OE2 A:GLU57 2.7 86.5 1.0
OD1 A:ASP48 2.8 0.5 1.0
OD2 A:ASP48 2.9 0.3 1.0
CD A:GLU57 2.9 87.4 1.0
CG A:ASP48 3.1 0.7 1.0
CG A:ASN50 3.4 94.3 1.0
CG A:ASP46 3.7 89.0 1.0
C A:GLU52 3.7 90.0 1.0
OD2 A:ASP54 3.7 95.6 1.0
ND2 A:ASN50 4.0 96.2 1.0
CG A:GLU57 4.3 86.3 1.0
CB A:ASP48 4.3 98.3 1.0
N A:ASP48 4.4 92.5 1.0
CA A:ILE53 4.4 87.3 1.0
OD2 A:ASP46 4.4 90.2 1.0
N A:ASP54 4.4 89.4 1.0
N A:ILE53 4.5 88.3 1.0
CB A:ASP46 4.5 86.8 1.0
CB A:ASN50 4.6 95.0 1.0
CA A:ASP46 4.6 86.1 1.0
N A:GLU52 4.6 91.7 1.0
N A:ASN50 4.6 95.8 1.0
CG A:ASP54 4.6 94.0 1.0
CA A:GLU52 4.6 91.0 1.0
CA A:ASP48 4.7 95.0 1.0
C A:ASP48 4.7 95.1 1.0
C A:ASP46 4.8 88.0 1.0
N A:ALA47 4.9 89.7 1.0
C A:ILE53 4.9 89.1 1.0
N A:GLY49 5.0 95.4 1.0

Strontium binding site 3 out of 4 in 3px1

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Strontium binding site 3 out of 4 in the Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Strontium


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 3 of Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Strontium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Sr149

b:53.5
occ:1.00
O B:ALA16 2.6 77.9 1.0
OD1 B:ASP10 2.6 82.3 1.0
OD1 B:ASN12 2.6 80.5 1.0
OE1 B:GLU21 2.8 89.5 1.0
OD1 B:ASP14 2.8 87.4 1.0
OE2 B:GLU21 2.9 88.8 1.0
CD B:GLU21 3.0 88.9 1.0
OD2 B:ASP14 3.2 86.8 1.0
CG B:ASP14 3.3 85.7 1.0
CG B:ASN12 3.4 79.5 1.0
ND2 B:ASN12 3.5 77.5 1.0
C B:ALA16 3.6 78.7 1.0
CG B:ASP10 3.7 85.8 1.0
CG B:GLU21 4.3 87.5 1.0
N B:SER18 4.4 77.7 1.0
N B:VAL17 4.5 78.1 1.0
CA B:VAL17 4.5 77.1 1.0
OD2 B:ASP10 4.5 87.2 1.0
CA B:ALA16 4.5 79.3 1.0
N B:ASP14 4.6 78.7 1.0
N B:ALA16 4.6 79.9 1.0
CB B:ALA16 4.6 79.1 1.0
CB B:ASP14 4.7 82.2 1.0
CB B:ASN12 4.7 78.7 1.0
CB B:ASP10 4.7 84.4 1.0
C B:VAL17 4.8 77.0 1.0
CA B:ASP10 4.8 82.7 1.0
CB B:SER18 4.8 78.8 1.0
N B:ASN12 4.9 80.2 1.0
N B:GLY13 4.9 78.8 1.0
OG B:SER18 5.0 78.2 1.0

Strontium binding site 4 out of 4 in 3px1

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Strontium binding site 4 out of 4 in the Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Strontium


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 4 of Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Strontium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Sr150

b:62.2
occ:1.00
OD1 B:ASP48 2.3 0.3 1.0
OD1 B:ASN50 2.6 94.8 1.0
OE1 B:GLU57 2.7 89.4 1.0
O B:GLU52 2.7 93.4 1.0
OE2 B:GLU57 2.7 87.4 1.0
OD2 B:ASP48 2.9 0.5 1.0
CG B:ASP48 3.0 0.9 1.0
CD B:GLU57 3.0 88.2 1.0
OD1 B:ASP46 3.0 92.2 1.0
CG B:ASN50 3.3 96.9 1.0
ND2 B:ASN50 3.6 97.1 1.0
C B:GLU52 3.7 94.1 1.0
OD2 B:ASP54 3.8 0.6 1.0
CG B:ASP46 3.9 93.1 1.0
OE1 B:GLU52 4.0 0.9 1.0
N B:ASP54 4.0 95.9 1.0
CA B:ILE53 4.1 94.1 1.0
N B:ILE53 4.4 94.1 1.0
CG B:GLU57 4.4 86.3 1.0
CB B:ASP48 4.4 0.3 1.0
CG B:ASP54 4.5 0.6 1.0
OD2 B:ASP46 4.5 93.9 1.0
CB B:ASN50 4.5 97.5 1.0
C B:ILE53 4.6 95.3 1.0
N B:ASP48 4.7 99.8 1.0
CA B:GLU52 4.8 95.1 1.0
CD B:GLU52 4.8 0.2 1.0
CB B:ASP46 4.8 91.1 1.0
CA B:ASP46 4.8 90.0 1.0
N B:ASN50 4.8 97.8 1.0
N B:GLU52 4.8 95.5 1.0
CB B:ASP54 4.9 99.3 1.0
CG B:GLU52 4.9 0.5 1.0
N B:ALA47 5.0 94.7 1.0

Reference:

S.Kumar, S.Kumar, E.Ahmad, R.H.Khan, S.Gourinath. Flexibility and Plasticity of Ef-Hand Motifs: Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with PB2+, BA2+, and SR2+. To Be Published.
Page generated: Wed Dec 16 02:23:51 2020

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