Atomistry » Cadmium » PDB 1gyn-1jre » 1jee
Atomistry »
  Cadmium »
    PDB 1gyn-1jre »
      1jee »

Cadmium 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
Calcium (Ca) 6 atoms
Chlorine (Cl) 2 atoms
Sodium (Na) 12 atoms

Cadmium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Cadmium 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 Cadmium atom.
In total 11 binding sites of Cadmium where determined in the Crystal Structure of Atp Sulfurylase in Complex with Chlorate, PDB code: 1jee:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Cadmium binding site 1 out of 11 in 1jee

Go back to Cadmium Binding Sites List in 1jee
Cadmium binding site 1 out of 11 in the Crystal Structure of Atp Sulfurylase in Complex with Chlorate


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd 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:Cd512

b:34.1
occ:1.00
 OXT A:ACY556 2.3 30.1 1.0
OD2 A:ASP168 2.3 30.1 1.0
NE2 A:HIS235 2.4 30.7 1.0
NE2 A:HIS236 2.5 21.4 1.0
O A:ACY556 2.8 30.9 1.0
CE1 A:HIS236 2.8 21.1 1.0
C A:ACY556 2.8 30.9 1.0
CE1 A:HIS235 3.3 30.0 1.0
CD2 A:HIS235 3.4 29.8 1.0
CG A:ASP168 3.5 29.4 1.0
CD2 A:HIS236 3.6 22.9 1.0
O A:HOH991 3.7 32.4 1.0
O A:HOH705 3.9 28.5 1.0
ND1 A:HIS236 4.0 22.1 1.0
OD1 A:ASP168 4.0 31.8 1.0
CH3 A:ACY556 4.3 30.5 1.0
CG A:HIS236 4.4 24.0 1.0
ND1 A:HIS235 4.4 29.5 1.0
CG A:HIS235 4.5 28.8 1.0
CB A:ASP168 4.6 29.6 1.0
NH1 A:ARG173 4.7 29.2 1.0

Cadmium binding site 2 out of 11 in 1jee

Go back to Cadmium Binding Sites List in 1jee
Cadmium binding site 2 out of 11 in the Crystal Structure of Atp Sulfurylase in Complex with Chlorate


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd 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:Cd513

b:66.8
occ:0.50
 O A:PRO39 2.5 26.9 1.0
SG A:CYS43 2.5 27.4 1.0
O A:HOH1050 3.2 39.4 1.0
C A:PRO39 3.3 26.4 1.0
N A:CYS43 3.7 23.1 1.0
CB A:CYS43 3.8 25.1 1.0
CA A:PRO39 3.9 26.6 1.0
CB A:LEU42 4.1 27.7 1.0
CA A:CYS43 4.1 24.1 1.0
CB A:PRO39 4.2 26.2 1.0
N A:ARG40 4.2 25.7 1.0
O A:GLY226 4.3 33.6 1.0
C A:LEU42 4.5 23.2 1.0
CA A:ARG40 4.5 26.2 1.0
O A:HOH915 4.6 37.0 1.0
CA A:LEU42 4.7 24.9 1.0
CD1 A:LEU227 4.8 40.4 1.0
C A:GLY226 4.9 31.5 1.0
N A:LEU42 4.9 25.7 1.0
C A:ARG40 4.9 26.6 1.0

Cadmium binding site 3 out of 11 in 1jee

Go back to Cadmium Binding Sites List in 1jee
Cadmium binding site 3 out of 11 in the Crystal Structure of Atp Sulfurylase in Complex with Chlorate


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd 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:Cd514

b:36.0
occ:1.00
 O A:ACY550 2.1 31.5 1.0
O A:LEU18 2.2 29.8 1.0
OE2 A:GLU22 2.6 34.5 1.0
OE1 A:GLU22 2.7 32.5 1.0
C A:ACY550 2.9 29.8 1.0
CD A:GLU22 3.0 33.4 1.0
OXT A:ACY550 3.1 29.3 1.0
C A:LEU18 3.2 30.6 1.0
CA A:LEU18 4.0 30.4 1.0
CB A:ASN21 4.1 36.9 1.0
N A:LYS19 4.1 31.5 1.0
N A:ASN21 4.3 35.1 1.0
CH3 A:ACY550 4.4 27.3 1.0
CA A:LYS19 4.4 34.3 1.0
OD1 A:ASN21 4.4 40.3 1.0
CG A:GLU22 4.5 33.6 1.0
N A:LYS20 4.6 35.0 1.0
CG A:ASN21 4.6 38.0 1.0
CB A:LEU18 4.6 29.7 1.0
C A:LYS19 4.6 35.7 1.0
CA A:ASN21 4.8 35.5 1.0
N A:GLU22 4.8 34.5 1.0

Cadmium binding site 4 out of 11 in 1jee

Go back to Cadmium Binding Sites List in 1jee
Cadmium binding site 4 out of 11 in the Crystal Structure of Atp Sulfurylase in Complex with Chlorate


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd 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
A:Cd515

b:58.3
occ:1.00
 O A:ACY554 2.4 25.7 1.0
OXT A:ACY554 2.8 23.2 1.0
C A:ACY554 2.9 26.0 1.0
OE1 A:GLU182 3.1 26.4 1.0
OE2 A:GLU182 3.4 27.1 1.0
CD A:GLU182 3.6 26.9 1.0
NZ A:LYS174 4.2 27.1 1.0
CE A:LYS174 4.4 26.8 1.0
CH3 A:ACY554 4.4 27.2 1.0
NH1 A:ARG186 4.5 26.0 1.0
CE1 A:PHE255 4.7 21.8 1.0
CZ A:PHE255 4.7 21.6 1.0

Cadmium binding site 5 out of 11 in 1jee

Go back to Cadmium Binding Sites List in 1jee
Cadmium binding site 5 out of 11 in the Crystal Structure of Atp Sulfurylase in Complex with Chlorate


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd 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
A:Cd516

b:42.6
occ:1.00
 OD1 A:ASP189 2.2 32.5 1.0
O A:ACY555 2.3 47.4 1.0
OXT A:ACY551 2.4 32.1 1.0
OXT A:ACY555 2.5 49.6 1.0
OD2 A:ASP189 2.5 35.4 1.0
C A:ACY555 2.6 49.0 1.0
CG A:ASP189 2.7 31.8 1.0
O A:ACY551 2.7 34.0 1.0
C A:ACY551 2.9 33.1 1.0
CH3 A:ACY555 4.1 48.6 1.0
CB A:ASP189 4.2 27.3 1.0
O A:HOH724 4.3 20.4 1.0
CH3 A:ACY551 4.4 31.2 1.0
O A:HOH1090 4.8 33.2 1.0
CD A:ARG190 4.9 30.8 1.0
CG A:ARG190 5.0 28.5 1.0

Cadmium binding site 6 out of 11 in 1jee

Go back to Cadmium Binding Sites List in 1jee
Cadmium binding site 6 out of 11 in the Crystal Structure of Atp Sulfurylase in Complex with Chlorate


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd 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
A:Cd524

b:54.9
occ:1.00
 O A:ACY564 1.9 25.3 1.0
CH3 A:ACY564 2.5 27.0 1.0
C A:ACY564 2.5 27.9 1.0
OD2 A:ASP71 2.9 43.2 1.0
CG A:ASP71 3.4 41.8 1.0
OXT A:ACY564 3.7 30.2 1.0
OD1 A:ASP71 3.8 44.6 1.0
O A:HOH762 3.9 25.9 1.0
CB A:ASP71 4.2 37.7 1.0
CA A:ASP71 4.8 34.0 1.0
O A:ASP71 4.8 33.5 1.0
NE A:ARG73 5.0 24.3 1.0

Cadmium binding site 7 out of 11 in 1jee

Go back to Cadmium Binding Sites List in 1jee
Cadmium binding site 7 out of 11 in the Crystal Structure of Atp Sulfurylase in Complex with Chlorate


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of Crystal Structure of Atp Sulfurylase in Complex with Chlorate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd530

b:39.1
occ:1.00
 OD2 B:ASP168 2.1 31.5 1.0
OXT B:ACY563 2.3 22.5 1.0
NE2 B:HIS236 2.4 24.7 1.0
NE2 B:HIS235 2.5 30.8 1.0
O B:ACY563 2.5 20.0 1.0
C B:ACY563 2.7 22.7 1.0
CE1 B:HIS236 2.9 24.3 1.0
CG B:ASP168 3.3 31.8 1.0
CE1 B:HIS235 3.4 31.5 1.0
CD2 B:HIS235 3.5 29.9 1.0
CD2 B:HIS236 3.5 22.8 1.0
OD1 B:ASP168 3.8 34.2 1.0
O B:HOH980 4.0 57.3 1.0
O B:HOH646 4.0 16.1 1.0
ND1 B:HIS236 4.1 23.9 1.0
CH3 B:ACY563 4.2 22.4 1.0
CG B:HIS236 4.4 24.3 1.0
CB B:ASP168 4.4 29.8 1.0
ND1 B:HIS235 4.5 31.5 1.0
NH1 B:ARG173 4.6 26.7 1.0
CG B:HIS235 4.6 30.9 1.0

Cadmium binding site 8 out of 11 in 1jee

Go back to Cadmium Binding Sites List in 1jee
Cadmium binding site 8 out of 11 in the Crystal Structure of Atp Sulfurylase in Complex with Chlorate


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 8 of Crystal Structure of Atp Sulfurylase in Complex with Chlorate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd531

b:65.3
occ:0.50
 O B:HOH1225 2.3 38.5 1.0
SG B:CYS43 2.5 25.3 1.0
O B:PRO39 2.6 29.8 1.0
O B:HOH933 3.2 42.3 1.0
C B:PRO39 3.5 26.8 1.0
N B:CYS43 3.7 23.9 1.0
O B:HOH662 3.7 34.0 1.0
CB B:CYS43 3.7 24.9 1.0
CB B:LEU42 4.1 28.6 1.0
CA B:PRO39 4.1 26.9 1.0
CA B:CYS43 4.1 23.6 1.0
O B:GLY226 4.1 33.9 1.0
C B:LEU42 4.4 25.6 1.0
N B:ARG40 4.4 25.8 1.0
CB B:PRO39 4.5 27.3 1.0
CA B:ARG40 4.6 26.2 1.0
CA B:LEU42 4.7 26.2 1.0
C B:GLY226 4.8 30.7 1.0
O B:HOH711 4.8 18.5 1.0
N B:LEU42 4.9 26.1 1.0
C B:ARG40 5.0 26.3 1.0
CD1 B:LEU227 5.0 39.3 1.0
O B:ARG40 5.0 26.2 1.0

Cadmium binding site 9 out of 11 in 1jee

Go back to Cadmium Binding Sites List in 1jee
Cadmium binding site 9 out of 11 in the Crystal Structure of Atp Sulfurylase in Complex with Chlorate


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 9 of Crystal Structure of Atp Sulfurylase in Complex with Chlorate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd532

b:39.5
occ:1.00
 OE1 B:GLU22 1.9 34.3 1.0
O B:ACY557 2.3 32.4 1.0
O B:LEU18 2.3 30.8 1.0
OE2 B:GLU22 2.4 36.5 1.0
CD B:GLU22 2.4 34.1 1.0
C B:ACY557 3.0 31.6 1.0
OXT B:ACY557 3.0 32.9 1.0
C B:LEU18 3.4 32.3 1.0
CG B:GLU22 3.9 33.8 1.0
CB B:ASN21 4.3 36.9 1.0
N B:LYS19 4.3 34.0 1.0
CA B:LYS19 4.3 35.5 1.0
CA B:LEU18 4.4 30.8 1.0
CH3 B:ACY557 4.4 31.7 1.0
N B:GLU22 4.6 35.6 1.0
N B:ASN21 4.6 36.0 1.0
C B:LYS19 4.7 35.8 1.0
OD1 B:ASN21 4.8 40.1 1.0
CB B:LEU18 4.9 29.0 1.0
N B:LYS20 4.9 36.3 1.0
CG B:ASN21 4.9 38.7 1.0
CB B:GLU22 4.9 35.0 1.0
CA B:ASN21 5.0 36.3 1.0

Cadmium binding site 10 out of 11 in 1jee

Go back to Cadmium Binding Sites List in 1jee
Cadmium binding site 10 out of 11 in the Crystal Structure of Atp Sulfurylase in Complex with Chlorate


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 10 of Crystal Structure of Atp Sulfurylase in Complex with Chlorate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd533

b:64.8
occ:1.00
 OE1 B:GLU182 2.4 30.1 1.0
OE2 B:GLU182 2.8 29.4 1.0
CD B:GLU182 3.0 29.3 1.0
O B:ACY561 3.3 18.6 1.0
OXT B:ACY561 3.9 19.2 1.0
C B:ACY561 3.9 21.4 1.0
NZ B:LYS174 4.1 26.6 1.0
O B:ACY560 4.2 35.8 1.0
OXT B:ACY560 4.3 37.0 1.0
C B:ACY560 4.4 36.2 1.0
CE B:LYS174 4.4 25.2 1.0
CG B:GLU182 4.5 26.8 1.0
NH1 B:ARG186 4.6 29.6 1.0
NH2 B:ARG186 4.8 29.8 1.0
CE1 B:PHE255 4.9 21.6 1.0
CZ B:PHE255 5.0 21.6 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: Fri Jul 19 13:38:03 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy