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Calcium in PDB 1jed: Crystal Structure of Atp Sulfurylase in Complex with Adp

Enzymatic activity of Crystal Structure of Atp Sulfurylase in Complex with Adp

All present enzymatic activity of Crystal Structure of Atp Sulfurylase in Complex with Adp:
2.7.7.4;

Protein crystallography data

The structure of Crystal Structure of Atp Sulfurylase in Complex with Adp, PDB code: 1jed was solved by T.C.Ullrich, R.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.81 / 2.95
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 186.135, 186.135, 223.253, 90.00, 90.00, 120.00
R / Rfree (%) 19.2 / 22.7

Other elements in 1jed:

The structure of Crystal Structure of Atp Sulfurylase in Complex with Adp also contains other interesting chemical elements:

Cadmium (Cd) 11 atoms
Magnesium (Mg) 4 atoms
Sodium (Na) 12 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Atp Sulfurylase in Complex with Adp (pdb code 1jed). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of Atp Sulfurylase in Complex with Adp, PDB code: 1jed:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 1jed

Go back to Calcium Binding Sites List in 1jed
Calcium binding site 1 out of 6 in the Crystal Structure of Atp Sulfurylase in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Atp Sulfurylase in Complex with Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca517

b:32.0
occ:1.00
 OD1 A:ASP151 2.1 32.8 1.0
OD2 A:ASP151 2.6 33.6 1.0
CG A:ASP151 2.6 31.1 1.0
O A:HOH905 3.1 39.0 1.0
CB A:ASP151 4.1 29.9 1.0
O A:PHE146 4.8 31.0 1.0

Calcium binding site 2 out of 6 in 1jed

Go back to Calcium Binding Sites List in 1jed
Calcium binding site 2 out of 6 in the Crystal Structure of Atp Sulfurylase in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Atp Sulfurylase in Complex with Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca519

b:83.9
occ:1.00
 OD1 A:ASP303 2.4 34.8 1.0
CG A:ASP303 3.1 34.1 1.0
OD2 A:ASP303 3.2 35.8 1.0
O A:HOH994 3.3 33.0 1.0
NZ A:LYS297 3.4 37.1 1.0
CE A:LYS297 4.3 36.8 1.0
NH1 A:ARG290 4.3 48.7 1.0
CB A:ASP303 4.6 31.5 1.0
O A:HOH834 4.7 22.2 1.0
CD A:PRO307 4.9 26.7 1.0

Calcium binding site 3 out of 6 in 1jed

Go back to Calcium Binding Sites List in 1jed
Calcium binding site 3 out of 6 in the Crystal Structure of Atp Sulfurylase in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Atp Sulfurylase in Complex with Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca520

b:29.0
occ:1.00
 OD2 A:ASP489 2.2 43.2 1.0
O A:HOH753 2.4 19.0 1.0
CG A:ASP489 2.6 41.6 1.0
OD1 A:ASP489 2.8 44.2 1.0
CB A:ASP489 3.6 37.6 1.0

Calcium binding site 4 out of 6 in 1jed

Go back to Calcium Binding Sites List in 1jed
Calcium binding site 4 out of 6 in the Crystal Structure of Atp Sulfurylase in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Atp Sulfurylase in Complex with Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca535

b:30.4
occ:1.00
 O B:HOH908 2.0 18.8 1.0
O B:HOH1027 2.4 11.6 1.0
OD1 B:ASP151 2.5 31.5 1.0
OD2 B:ASP151 2.7 32.4 1.0
CG B:ASP151 2.9 30.9 1.0
O B:PHE146 4.4 31.6 1.0
CB B:ASP151 4.4 30.3 1.0
NZ B:LYS125 4.8 24.6 1.0

Calcium binding site 5 out of 6 in 1jed

Go back to Calcium Binding Sites List in 1jed
Calcium binding site 5 out of 6 in the Crystal Structure of Atp Sulfurylase in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Atp Sulfurylase in Complex with Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca537

b:89.4
occ:1.00
 OD1 B:ASP303 2.5 32.7 1.0
O B:HOH720 3.2 35.2 1.0
CG B:ASP303 3.4 31.9 1.0
OD2 B:ASP303 3.6 32.3 1.0
NZ B:LYS297 3.6 36.8 1.0
CE B:LYS297 4.8 36.2 1.0
CB B:ASP303 4.8 30.3 1.0
NH1 B:ARG290 4.9 48.4 1.0
CD B:PRO307 4.9 26.0 1.0

Calcium binding site 6 out of 6 in 1jed

Go back to Calcium Binding Sites List in 1jed
Calcium binding site 6 out of 6 in the Crystal Structure of Atp Sulfurylase in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Atp Sulfurylase in Complex with Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca538

b:17.4
occ:1.00
 OD2 B:ASP489 2.1 43.6 1.0
CG B:ASP489 2.6 41.0 1.0
OD1 B:ASP489 2.7 43.4 1.0
CB B:ASP489 3.9 35.5 1.0
OG B:SER487 4.9 35.7 1.0

Reference:

T.C.Ullrich, R.Huber. The Complex Structures of Atp Sulfurylase with Thiosulfate, Adp and Chlorate Reveal New Insights in Inhibitory Effects and the Catalytic Cycle. J.Mol.Biol. V. 313 1117 2001.
ISSN: ISSN 0022-2836
PubMed: 11700067
DOI: 10.1006/JMBI.2001.5098
Page generated: Mon Jul 7 16:06:43 2025

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