Calcium in PDB 6qkn: Structure of the Azide-Inhibited Form of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae

Enzymatic activity of Structure of the Azide-Inhibited Form of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae

All present enzymatic activity of Structure of the Azide-Inhibited Form of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae:
1.11.1.5;

Protein crystallography data

The structure of Structure of the Azide-Inhibited Form of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae, PDB code: 6qkn was solved by A.L.Carvalho, M.J.Romao, S.Pauleta, C.Nobrega, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.95 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.120, 89.140, 94.830, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 23.3

Other elements in 6qkn:

The structure of Structure of the Azide-Inhibited Form of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of the Azide-Inhibited Form of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae (pdb code 6qkn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of the Azide-Inhibited Form of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae, PDB code: 6qkn:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 6qkn

Go back to Calcium Binding Sites List in 6qkn
Calcium binding site 1 out of 2 in the Structure of the Azide-Inhibited Form of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Azide-Inhibited Form of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca403

b:28.3
occ:1.00
O A:THR261 2.3 27.0 1.0
OD1 A:ASN83 2.3 28.5 1.0
O A:HOH541 2.4 26.1 1.0
O A:PRO263 2.4 30.4 1.0
O A:HOH510 2.4 24.0 1.0
O A:HOH536 2.5 20.7 1.0
O A:HOH547 2.6 22.7 1.0
CG A:ASN83 3.4 30.4 1.0
C A:THR261 3.6 29.0 1.0
C A:PRO263 3.6 33.6 1.0
ND2 A:ASN83 3.9 27.1 1.0
C A:TYR262 4.2 29.6 1.0
CB A:THR261 4.3 29.6 1.0
CA A:TYR264 4.4 34.1 1.0
O2A A:HEC402 4.4 34.1 1.0
N A:TYR264 4.4 34.6 1.0
N A:TYR262 4.4 29.1 1.0
O A:SER84 4.4 26.7 1.0
OG1 A:THR261 4.4 32.6 1.0
N A:PRO263 4.4 30.1 1.0
O A:TYR262 4.4 31.2 1.0
CA A:TYR262 4.4 29.1 1.0
CA A:THR261 4.5 28.2 1.0
CB A:ASN83 4.6 31.1 1.0
CA A:PRO263 4.6 30.8 1.0
CD1 A:TYR264 4.6 29.9 1.0
O A:HOH516 4.6 21.3 1.0
O A:HOH564 4.7 21.3 1.0
O1A A:HEC402 4.7 34.7 1.0
CGA A:HEC402 5.0 33.4 1.0

Calcium binding site 2 out of 2 in 6qkn

Go back to Calcium Binding Sites List in 6qkn
Calcium binding site 2 out of 2 in the Structure of the Azide-Inhibited Form of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Azide-Inhibited Form of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca403

b:22.1
occ:1.00
O B:THR261 2.2 16.0 1.0
O B:HOH569 2.3 23.8 1.0
OD1 B:ASN83 2.4 27.9 1.0
O B:PRO263 2.4 17.3 1.0
O B:HOH562 2.4 19.9 1.0
O B:HOH529 2.4 22.7 1.0
O B:HOH522 2.5 21.3 1.0
CG B:ASN83 3.4 24.7 1.0
C B:THR261 3.5 17.9 1.0
C B:PRO263 3.6 20.2 1.0
ND2 B:ASN83 3.9 20.2 1.0
C B:TYR262 4.2 20.1 1.0
CB B:THR261 4.2 15.7 1.0
O B:TYR262 4.3 19.8 1.0
N B:TYR262 4.4 17.3 1.0
N B:PRO263 4.4 21.0 1.0
OG1 B:THR261 4.4 14.9 1.0
CA B:TYR262 4.4 18.9 1.0
CA B:TYR264 4.4 20.4 1.0
N B:TYR264 4.4 20.1 1.0
O B:SER84 4.5 20.7 1.0
CA B:THR261 4.5 16.4 1.0
O B:HOH543 4.5 17.2 1.0
O2A B:HEC402 4.5 19.2 1.0
O B:HOH574 4.6 18.9 1.0
O1A B:HEC402 4.6 18.2 1.0
CA B:PRO263 4.6 20.6 1.0
CD1 B:TYR264 4.7 20.7 1.0
CB B:ASN83 4.7 20.6 1.0
O B:HOH527 4.9 24.0 1.0
CGA B:HEC402 4.9 20.0 1.0

Reference:

A.L.Carvalho, M.J.Romao, S.Pauleta, C.Nobrega. Structure of the Mixed-Valence, Active Form, of Cytochrome C Peroxidase From Obligate Human Pathogenic Bacterium Neisseria Gonorrhoeae To Be Published.
Page generated: Sat Dec 12 07:27:35 2020

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