Calcium in PDB 6nbl: Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide

All present enzymatic activity of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide:
1.14.15.1;

The structure of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide, PDB code: 6nbl was solved by A.H.Follmer, S.M.Tripathi, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.60 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.360, 110.300, 88.620, 90.00, 107.67, 90.00
R / Rfree (%)	19.5 / 25.4

The structure of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide also contains other interesting chemical elements:

Iron

(Fe)

6 atoms

The binding sites of Calcium atom in the Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide (pdb code 6nbl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide, PDB code: 6nbl:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:56.0 occ:1.00 O B:ALA36 2.4 48.0 1.0 OE1 A:GLU198 2.5 60.4 1.0 O B:HOH636 2.7 44.2 1.0 OD2 A:ASP202 2.7 46.0 1.0 OD1 A:ASP202 2.9 59.0 1.0 CG A:ASP202 3.0 48.8 1.0 C B:ALA36 3.4 45.8 1.0 CD A:GLU198 3.6 61.4 1.0 CG A:GLU198 4.0 56.6 1.0 O B:HOH710 4.0 45.4 1.0 N B:GLY37 4.2 42.2 1.0 CA B:ALA36 4.3 50.1 1.0 CA B:GLY37 4.3 40.1 1.0 NZ B:LYS266 4.3 56.5 1.0 CB A:ASP202 4.3 53.2 1.0 OE2 B:GLU40 4.6 41.6 1.0 OE2 A:GLU198 4.7 54.5 1.0 CD B:GLU40 4.9 44.1 1.0 OE1 B:GLU40 5.0 41.4 1.0

Calcium binding site 2 out of 2 in the Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca504 b:16.8 occ:0.50 OE2 B:GLU198 2.3 35.5 1.0 O B:HOH688 2.4 33.3 1.0 OD2 B:ASP202 2.4 27.6 1.0 OD1 B:ASP202 2.6 26.9 1.0 CG B:ASP202 2.8 28.2 1.0 CD B:GLU198 3.4 31.4 1.0 CG B:GLU198 4.0 23.5 1.0 CB B:ASP202 4.3 24.5 1.0 OE1 B:GLU198 4.5 32.5 1.0 O B:GLU198 5.0 24.5 1.0

A.H.Follmer, S.Tripathi, T.L.Poulos. Ligand and Redox Partner Binding Generates A New Conformational State in Cytochrome P450CAM (CYP101A1). J. Am. Chem. Soc. V. 141 2678 2019.
ISSN: ESSN 1520-5126
PubMed: 30672701
DOI: 10.1021/JACS.8B13079