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Calcium in PDB 1jee: Crystal Structure of Atp Sulfurylase in Complex with Chlorate

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

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

Protein crystallography data

The structure of Crystal Structure of Atp Sulfurylase in Complex with Chlorate, PDB code: 1jee 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) 24.87 / 2.80
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 185.940, 185.940, 223.812, 90.00, 90.00, 120.00
R / Rfree (%) 18.4 / 23.2

Other elements in 1jee:

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

Magnesium (Mg) 2 atoms
Cadmium (Cd) 11 atoms
Chlorine (Cl) 2 atoms
Sodium (Na) 12 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Atp Sulfurylase in Complex with Chlorate (pdb code 1jee). 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 Chlorate, PDB code: 1jee:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 1jee

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


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 Chlorate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca517

b:32.0
occ:1.00
 OD1 A:ASP151 2.0 37.5 1.0
O A:HOH935 2.2 37.5 1.0
OD2 A:ASP151 2.5 39.3 1.0
CG A:ASP151 2.5 37.6 1.0
O A:HOH1009 3.6 41.8 1.0
CB A:ASP151 4.0 35.3 1.0
O A:HOH850 4.4 20.2 1.0
NZ A:LYS125 4.8 29.4 1.0
O A:PHE146 4.8 35.6 1.0
CA A:ASP151 5.0 35.2 1.0

Calcium binding site 2 out of 6 in 1jee

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


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 Chlorate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca519

b:68.6
occ:1.00
 OD1 A:ASP303 2.4 36.0 1.0
CG A:ASP303 3.2 37.4 1.0
OD2 A:ASP303 3.4 39.7 1.0
NZ A:LYS297 3.6 40.3 1.0
CB A:ASP303 4.6 36.9 1.0
CD A:PRO307 4.7 26.5 1.0
NH2 A:ARG290 4.7 56.3 1.0
CE A:LYS297 4.9 40.6 1.0

Calcium binding site 3 out of 6 in 1jee

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


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 Chlorate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca520

b:44.9
occ:1.00
 OD2 A:ASP489 2.2 40.6 1.0
CG A:ASP489 2.9 41.3 1.0
OD1 A:ASP489 3.0 40.0 1.0
CB A:ASP489 4.4 40.4 1.0
O A:HOH663 4.7 32.0 1.0

Calcium binding site 4 out of 6 in 1jee

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


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 Chlorate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca535

b:37.5
occ:1.00
 OD1 B:ASP151 2.2 37.6 1.0
OD2 B:ASP151 2.4 41.1 1.0
CG B:ASP151 2.7 39.0 1.0
CB B:ASP151 4.2 38.4 1.0
O B:PHE146 4.5 32.9 1.0
NZ B:LYS125 4.6 23.3 1.0
O B:HOH797 4.9 20.5 1.0

Calcium binding site 5 out of 6 in 1jee

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


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 Chlorate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca537

b:76.7
occ:1.00
 OD1 B:ASP303 2.6 37.2 1.0
NZ B:LYS297 2.9 39.9 1.0
OD2 B:ASP303 3.1 37.8 1.0
CG B:ASP303 3.2 37.5 1.0
O B:HOH1137 4.0 36.2 1.0
CE B:LYS297 4.2 40.3 1.0
CB B:ASP303 4.7 36.2 1.0

Calcium binding site 6 out of 6 in 1jee

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


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 Chlorate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca538

b:26.1
occ:1.00
 OD2 B:ASP489 2.4 41.1 1.0
OD1 B:ASP489 2.6 41.6 1.0
CG B:ASP489 2.9 41.3 1.0
CB B:ASP489 4.4 39.3 1.0
OG B:SER487 4.7 44.2 1.0
CB B:SER487 5.0 41.7 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: Thu Jul 11 10:44:07 2024

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