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Calcium in PDB 5odu: Plla Lectin, Monosaccharide Complex

Protein crystallography data

The structure of Plla Lectin, Monosaccharide Complex, PDB code: 5odu was solved by J.Koehnke, A.Sikandar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.67 / 1.56
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.904, 103.342, 76.086, 90.00, 93.05, 90.00
R / Rfree (%) 19.8 / 22.8

Calcium Binding Sites:

The binding sites of Calcium atom in the Plla Lectin, Monosaccharide Complex (pdb code 5odu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Plla Lectin, Monosaccharide Complex, PDB code: 5odu:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 5odu

Go back to Calcium Binding Sites List in 5odu
Calcium binding site 1 out of 8 in the Plla Lectin, Monosaccharide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Plla Lectin, Monosaccharide Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca202

b:18.3
occ:1.00
O A:THR100 2.3 22.7 1.0
OD1 A:ASN104 2.4 16.5 1.0
OD2 A:ASP96 2.4 17.2 1.0
O A:TYR38 2.4 20.9 1.0
OD1 A:ASP103 2.4 22.7 1.0
O3 A:AMG201 2.5 18.1 1.0
O4 A:AMG201 2.5 19.1 1.0
C4 A:AMG201 3.4 23.0 1.0
C A:TYR38 3.4 15.8 1.0
CG A:ASN104 3.4 15.6 1.0
C3 A:AMG201 3.4 22.7 1.0
CG A:ASP103 3.4 20.2 1.0
CG A:ASP96 3.4 16.9 1.0
C A:THR100 3.5 19.7 1.0
OG1 A:THR100 3.7 19.9 1.0
OD2 A:ASP103 3.8 22.9 1.0
ND2 A:ASN104 3.8 19.1 1.0
OD1 A:ASP96 3.8 15.4 1.0
CB A:THR100 4.0 16.1 1.0
CA A:TYR38 4.0 19.5 1.0
C2 A:AMG201 4.1 23.5 1.0
CB A:TYR38 4.3 15.0 1.0
CA A:THR100 4.3 18.3 1.0
N A:PHE101 4.4 24.8 1.0
N A:GLY39 4.4 16.6 1.0
CA A:PHE101 4.5 19.9 1.0
N A:ASN104 4.6 22.7 1.0
C A:ASP103 4.7 20.6 1.0
CA A:GLY39 4.7 18.7 1.0
CB A:ASP96 4.7 18.5 1.0
CB A:ASN104 4.7 12.4 1.0
CB A:ASP103 4.7 21.2 1.0
C5 A:AMG201 4.8 22.7 1.0
N A:ASP103 4.8 22.7 1.0
O2 A:AMG201 4.9 22.8 1.0
C A:PHE101 4.9 16.7 1.0
O A:ASP103 5.0 17.7 1.0
CA A:ASP103 5.0 17.4 1.0
CA A:ASN104 5.0 19.0 1.0

Calcium binding site 2 out of 8 in 5odu

Go back to Calcium Binding Sites List in 5odu
Calcium binding site 2 out of 8 in the Plla Lectin, Monosaccharide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Plla Lectin, Monosaccharide Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca202

b:12.8
occ:1.00
O B:THR100 2.3 15.9 1.0
O B:TYR38 2.4 14.6 1.0
OD2 B:ASP96 2.4 10.3 1.0
OD1 B:ASP103 2.4 13.3 1.0
OD1 B:ASN104 2.4 11.8 1.0
O3 B:AMG201 2.4 35.1 1.0
O4 B:AMG201 2.6 15.9 1.0
C3 B:AMG201 3.4 31.9 1.0
C B:TYR38 3.4 13.7 1.0
C4 B:AMG201 3.4 27.1 1.0
CG B:ASN104 3.4 10.5 1.0
CG B:ASP103 3.4 17.3 1.0
CG B:ASP96 3.4 9.3 1.0
OG1 B:THR100 3.5 17.1 1.0
C B:THR100 3.5 16.7 1.0
OD2 B:ASP103 3.7 15.7 1.0
CB B:THR100 3.8 18.1 1.0
ND2 B:ASN104 3.8 10.7 1.0
OD1 B:ASP96 3.8 12.6 1.0
CA B:TYR38 4.0 13.1 1.0
C2 B:AMG201 4.1 34.1 1.0
CA B:THR100 4.2 17.2 1.0
CB B:TYR38 4.2 15.1 1.0
N B:GLY39 4.4 12.1 1.0
N B:PHE101 4.4 12.3 1.0
CA B:PHE101 4.5 15.9 1.0
N B:ASN104 4.7 14.2 1.0
C B:ASP103 4.7 15.3 1.0
CA B:GLY39 4.7 14.2 1.0
CB B:ASP96 4.7 10.9 1.0
CB B:ASN104 4.8 14.0 1.0
CB B:ASP103 4.8 16.4 1.0
N B:ASP103 4.9 18.5 1.0
C5 B:AMG201 4.9 26.9 1.0
O2 B:AMG201 4.9 26.9 1.0
O B:ASP103 4.9 14.2 1.0
C B:PHE101 5.0 15.9 1.0
CD1 B:TYR38 5.0 12.7 1.0

Calcium binding site 3 out of 8 in 5odu

Go back to Calcium Binding Sites List in 5odu
Calcium binding site 3 out of 8 in the Plla Lectin, Monosaccharide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Plla Lectin, Monosaccharide Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca202

b:16.3
occ:1.00
O3 C:AMG201 2.3 14.1 1.0
O C:TYR38 2.3 17.4 1.0
O C:THR100 2.3 19.4 1.0
OD2 C:ASP96 2.4 13.6 1.0
OD1 C:ASN104 2.4 15.4 1.0
OD1 C:ASP103 2.5 18.4 1.0
O4 C:AMG201 2.6 15.5 1.0
C3 C:AMG201 3.3 12.7 1.0
C C:TYR38 3.4 17.3 1.0
CG C:ASN104 3.4 18.9 1.0
CG C:ASP96 3.5 13.8 1.0
C4 C:AMG201 3.5 17.3 1.0
CG C:ASP103 3.5 25.1 1.0
C C:THR100 3.5 19.4 1.0
OG1 C:THR100 3.6 21.4 1.0
OD2 C:ASP103 3.8 23.5 1.0
ND2 C:ASN104 3.8 18.3 1.0
OD1 C:ASP96 3.8 18.0 1.0
CB C:THR100 3.9 21.5 1.0
C2 C:AMG201 4.0 18.4 1.0
CA C:TYR38 4.0 12.1 1.0
CB C:TYR38 4.2 13.1 1.0
CA C:THR100 4.3 18.0 1.0
N C:PHE101 4.4 17.6 1.0
N C:GLY39 4.4 19.7 1.0
CA C:PHE101 4.5 13.9 1.0
N C:ASN104 4.6 18.3 1.0
CA C:GLY39 4.7 22.2 1.0
CB C:ASP96 4.7 13.5 1.0
C C:ASP103 4.8 18.6 1.0
CB C:ASN104 4.8 19.0 1.0
O2 C:AMG201 4.8 21.1 1.0
CB C:ASP103 4.8 22.5 1.0
N C:ASP103 4.8 17.7 1.0
C5 C:AMG201 4.9 18.9 1.0
C C:PHE101 4.9 15.1 1.0
CD1 C:TYR38 4.9 16.9 1.0
CA C:ASN104 5.0 17.4 1.0

Calcium binding site 4 out of 8 in 5odu

Go back to Calcium Binding Sites List in 5odu
Calcium binding site 4 out of 8 in the Plla Lectin, Monosaccharide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Plla Lectin, Monosaccharide Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca202

b:13.0
occ:1.00
O D:TYR38 2.2 17.4 1.0
O D:THR100 2.2 15.8 1.0
OD1 D:ASN104 2.3 15.7 1.0
OD2 D:ASP96 2.3 15.8 1.0
OD1 D:ASP103 2.4 15.2 1.0
O3 D:AMG201 2.4 18.0 1.0
O4 D:AMG201 2.6 14.4 1.0
C D:TYR38 3.3 14.4 1.0
CG D:ASN104 3.3 15.7 1.0
C3 D:AMG201 3.4 18.4 1.0
C4 D:AMG201 3.4 20.0 1.0
C D:THR100 3.4 21.2 1.0
CG D:ASP103 3.4 17.2 1.0
CG D:ASP96 3.4 16.1 1.0
OG1 D:THR100 3.6 18.8 1.0
ND2 D:ASN104 3.7 14.3 1.0
CB D:THR100 3.8 15.3 1.0
OD2 D:ASP103 3.8 18.3 1.0
CA D:TYR38 3.9 15.9 1.0
OD1 D:ASP96 3.9 18.3 1.0
CB D:TYR38 4.1 16.6 1.0
C2 D:AMG201 4.1 25.8 1.0
CA D:THR100 4.2 20.3 1.0
N D:GLY39 4.4 17.7 1.0
N D:PHE101 4.4 16.6 1.0
CA D:PHE101 4.5 16.2 1.0
N D:ASN104 4.6 16.4 1.0
C D:ASP103 4.6 16.8 1.0
CA D:GLY39 4.7 18.6 1.0
CB D:ASN104 4.7 13.5 1.0
CB D:ASP96 4.7 15.8 1.0
CB D:ASP103 4.8 14.6 1.0
CD1 D:TYR38 4.8 22.2 1.0
N D:ASP103 4.8 14.5 1.0
C5 D:AMG201 4.8 27.0 1.0
O2 D:AMG201 4.8 34.0 1.0
C D:PHE101 4.9 12.9 1.0
CA D:ASN104 4.9 11.8 1.0
O D:ASP103 4.9 17.3 1.0
CG D:TYR38 4.9 16.3 1.0
CA D:ASP103 5.0 12.9 1.0

Calcium binding site 5 out of 8 in 5odu

Go back to Calcium Binding Sites List in 5odu
Calcium binding site 5 out of 8 in the Plla Lectin, Monosaccharide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Plla Lectin, Monosaccharide Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca202

b:12.8
occ:1.00
O E:THR100 2.3 12.3 1.0
O E:TYR38 2.3 19.8 1.0
OD1 E:ASP103 2.4 18.0 1.0
OD1 E:ASN104 2.4 16.0 1.0
OD2 E:ASP96 2.4 17.1 1.0
O3 E:AMG201 2.5 16.1 1.0
O4 E:AMG201 2.7 15.5 1.0
CG E:ASP103 3.4 17.7 1.0
C E:TYR38 3.4 16.9 1.0
CG E:ASN104 3.4 14.7 1.0
C3 E:AMG201 3.5 16.2 1.0
CG E:ASP96 3.5 18.2 1.0
C4 E:AMG201 3.5 17.0 1.0
C E:THR100 3.5 14.8 1.0
OG1 E:THR100 3.6 17.0 1.0
OD2 E:ASP103 3.7 16.5 1.0
ND2 E:ASN104 3.8 11.2 1.0
OD1 E:ASP96 3.8 16.3 1.0
CB E:THR100 3.9 17.3 1.0
CA E:TYR38 4.0 11.6 1.0
C2 E:AMG201 4.1 23.7 1.0
CB E:TYR38 4.2 10.6 1.0
CA E:THR100 4.3 16.4 1.0
N E:GLY39 4.4 15.4 1.0
N E:PHE101 4.4 16.1 1.0
CA E:PHE101 4.5 17.2 1.0
C E:ASP103 4.6 12.2 1.0
N E:ASN104 4.6 15.5 1.0
CA E:GLY39 4.7 20.4 1.0
CB E:ASP103 4.7 17.4 1.0
CB E:ASN104 4.7 11.8 1.0
CB E:ASP96 4.7 13.9 1.0
N E:ASP103 4.8 15.6 1.0
O E:ASP103 4.9 12.8 1.0
C5 E:AMG201 4.9 17.1 1.0
C E:PHE101 4.9 18.4 1.0
O2 E:AMG201 4.9 23.1 1.0
CA E:ASP103 4.9 18.0 1.0
CA E:ASN104 5.0 15.0 1.0

Calcium binding site 6 out of 8 in 5odu

Go back to Calcium Binding Sites List in 5odu
Calcium binding site 6 out of 8 in the Plla Lectin, Monosaccharide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Plla Lectin, Monosaccharide Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca202

b:18.6
occ:1.00
O F:TYR38 2.3 18.8 1.0
O F:THR100 2.3 21.2 1.0
O3 F:AMG201 2.4 20.7 1.0
OD1 F:ASN104 2.4 15.9 1.0
OD1 F:ASP103 2.4 21.7 1.0
OD2 F:ASP96 2.4 17.6 1.0
O4 F:AMG201 2.5 21.5 1.0
C3 F:AMG201 3.3 17.5 1.0
C4 F:AMG201 3.3 21.6 1.0
C F:TYR38 3.3 18.7 1.0
CG F:ASP103 3.4 21.5 1.0
CG F:ASN104 3.4 22.8 1.0
C F:THR100 3.5 17.6 1.0
CG F:ASP96 3.5 20.9 1.0
OD2 F:ASP103 3.7 21.3 1.0
OG1 F:THR100 3.8 21.9 1.0
ND2 F:ASN104 3.8 24.8 1.0
CB F:THR100 3.9 18.7 1.0
OD1 F:ASP96 3.9 17.8 1.0
C2 F:AMG201 3.9 24.5 1.0
CA F:TYR38 3.9 19.5 1.0
CB F:TYR38 4.2 19.1 1.0
CA F:THR100 4.3 19.0 1.0
N F:GLY39 4.4 22.2 1.0
N F:PHE101 4.4 18.0 1.0
CA F:PHE101 4.5 17.8 1.0
CA F:GLY39 4.6 20.1 1.0
N F:ASN104 4.7 16.8 1.0
C F:ASP103 4.7 20.0 1.0
O2 F:AMG201 4.7 27.4 1.0
C5 F:AMG201 4.7 19.9 1.0
CB F:ASP103 4.7 16.8 1.0
CB F:ASN104 4.7 19.5 1.0
CB F:ASP96 4.8 12.1 1.0
N F:ASP103 4.9 16.2 1.0
C F:PHE101 4.9 21.1 1.0
CD1 F:TYR38 5.0 20.6 1.0
O F:ASP103 5.0 20.5 1.0

Calcium binding site 7 out of 8 in 5odu

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Calcium binding site 7 out of 8 in the Plla Lectin, Monosaccharide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Plla Lectin, Monosaccharide Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca202

b:22.2
occ:1.00
O G:TYR38 2.4 24.1 1.0
OD1 G:ASP103 2.4 24.6 1.0
O G:THR100 2.4 21.2 1.0
O3 G:AMG201 2.4 22.8 1.0
OD1 G:ASN104 2.4 20.6 1.0
OD2 G:ASP96 2.5 21.7 1.0
O4 G:AMG201 2.6 22.8 1.0
CG G:ASP103 3.4 29.2 1.0
C3 G:AMG201 3.4 20.2 1.0
CG G:ASN104 3.4 21.8 1.0
C G:TYR38 3.4 19.8 1.0
C4 G:AMG201 3.4 22.3 1.0
CG G:ASP96 3.5 17.7 1.0
C G:THR100 3.5 22.9 1.0
OD2 G:ASP103 3.6 24.6 1.0
ND2 G:ASN104 3.7 22.9 1.0
OG1 G:THR100 3.8 39.2 1.0
OD1 G:ASP96 3.9 19.1 1.0
CB G:THR100 3.9 37.6 1.0
C2 G:AMG201 4.0 21.1 1.0
CA G:TYR38 4.0 20.3 1.0
CB G:TYR38 4.3 14.7 1.0
CA G:THR100 4.4 26.3 1.0
N G:GLY39 4.4 22.0 1.0
N G:PHE101 4.4 18.1 1.0
CA G:PHE101 4.5 21.4 1.0
N G:ASN104 4.6 16.7 1.0
C G:ASP103 4.6 23.9 1.0
CB G:ASP103 4.7 25.8 1.0
CA G:GLY39 4.7 25.6 1.0
CB G:ASN104 4.7 18.1 1.0
O2 G:AMG201 4.7 26.5 1.0
N G:ASP103 4.8 22.1 1.0
CB G:ASP96 4.8 18.3 1.0
C5 G:AMG201 4.8 23.9 1.0
C G:PHE101 4.9 29.6 1.0
O G:ASP103 4.9 20.2 1.0
CA G:ASP103 4.9 24.6 1.0
CA G:ASN104 5.0 22.1 1.0

Calcium binding site 8 out of 8 in 5odu

Go back to Calcium Binding Sites List in 5odu
Calcium binding site 8 out of 8 in the Plla Lectin, Monosaccharide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Plla Lectin, Monosaccharide Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca202

b:22.2
occ:1.00
O H:TYR38 2.3 22.4 1.0
OD1 H:ASN104 2.4 24.4 1.0
OD1 H:ASP103 2.4 22.8 1.0
O3 H:AMG201 2.4 39.9 1.0
O H:THR100 2.4 31.2 1.0
OD2 H:ASP96 2.5 22.8 1.0
O4 H:AMG201 2.7 48.1 1.0
C H:TYR38 3.3 25.4 1.0
C3 H:AMG201 3.4 47.1 1.0
CG H:ASP103 3.4 25.0 1.0
CG H:ASN104 3.4 19.2 1.0
C4 H:AMG201 3.5 50.1 1.0
CG H:ASP96 3.5 23.1 1.0
C H:THR100 3.6 27.5 1.0
OD2 H:ASP103 3.7 22.9 1.0
OG1 H:THR100 3.8 25.0 1.0
ND2 H:ASN104 3.8 24.9 1.0
CA H:TYR38 3.9 18.5 1.0
OD1 H:ASP96 3.9 20.9 1.0
CB H:THR100 4.1 31.7 1.0
CB H:TYR38 4.1 19.7 1.0
C2 H:AMG201 4.1 51.4 1.0
N H:GLY39 4.4 28.3 1.0
CA H:THR100 4.4 34.6 1.0
N H:PHE101 4.5 21.4 1.0
CA H:PHE101 4.5 22.3 1.0
N H:ASN104 4.6 22.8 1.0
C H:ASP103 4.6 27.6 1.0
CB H:ASP103 4.7 23.6 1.0
CB H:ASN104 4.7 22.4 1.0
CA H:GLY39 4.7 25.0 1.0
N H:ASP103 4.8 23.5 1.0
CB H:ASP96 4.8 17.9 1.0
C H:PHE101 4.9 21.4 1.0
O2 H:AMG201 4.9 52.2 1.0
CD1 H:TYR38 4.9 19.3 1.0
C5 H:AMG201 4.9 50.3 1.0
CA H:ASN104 4.9 22.1 1.0
CA H:ASP103 4.9 24.8 1.0
O H:ASP103 5.0 27.7 1.0

Reference:

G.Beshr, A.Sikandar, E.M.Jemiller, N.Klymiuk, D.Hauck, S.Wagner, E.Wolf, J.Koehnke, A.Titz. Photorhabdus Luminescens Lectin A (Plla): A New Probe For Detecting Alpha-Galactoside-Terminating Glycoconjugates. J. Biol. Chem. V. 292 19935 2017.
ISSN: ESSN 1083-351X
PubMed: 28972138
DOI: 10.1074/JBC.M117.812792
Page generated: Mon Jul 15 09:46:32 2024

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