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Calcium in PDB 4jx1: Crystal Structure of Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor

Enzymatic activity of Crystal Structure of Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor

All present enzymatic activity of Crystal Structure of Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor:
1.14.15.1;

Protein crystallography data

The structure of Crystal Structure of Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor, PDB code: 4jx1 was solved by S.M.Tripathi, H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.87 / 2.09
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 86.850, 108.960, 115.160, 90.00, 109.03, 90.00
R / Rfree (%) 14.4 / 21.2

Other elements in 4jx1:

The structure of Crystal Structure of Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor also contains other interesting chemical elements:

Iron (Fe) 12 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor (pdb code 4jx1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor, PDB code: 4jx1:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 4jx1

Go back to Calcium Binding Sites List in 4jx1
Calcium binding site 1 out of 4 in the Crystal Structure of Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor


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 Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca504

b:23.0
occ:1.00
 OE2 A:GLU198 2.4 22.4 1.0
O B:ALA36 2.5 23.7 1.0
O B:HOH675 2.5 24.3 1.0
OD1 A:ASP202 2.5 18.8 1.0
OD2 A:ASP202 2.5 19.6 1.0
O B:HOH722 2.6 23.8 1.0
CG A:ASP202 2.8 18.9 1.0
CD A:GLU198 3.4 29.3 1.0
C B:ALA36 3.5 27.1 1.0
HG3 A:GLU198 3.5 32.3 1.0
HA3 B:GLY37 3.9 26.5 1.0
CG A:GLU198 3.9 26.9 1.0
HA B:ALA36 4.0 30.3 1.0
HZ2 B:LYS266 4.0 34.3 1.0
HZ1 B:LYS266 4.0 34.3 1.0
HG2 A:GLU198 4.1 32.3 1.0
O A:HOH824 4.2 29.2 1.0
CB A:ASP202 4.3 18.5 1.0
OE2 B:GLU40 4.3 22.0 1.0
CA B:ALA36 4.3 25.3 1.0
N B:GLY37 4.3 23.3 1.0
HB3 A:ASP202 4.5 22.2 1.0
NZ B:LYS266 4.5 28.6 1.0
OE1 A:GLU198 4.5 23.3 1.0
O B:HOH661 4.5 21.7 1.0
CD B:GLU40 4.5 22.1 1.0
O B:HOH752 4.5 24.1 1.0
CA B:GLY37 4.5 22.1 1.0
OE1 B:GLU40 4.6 21.5 1.0
O B:HOH802 4.7 32.8 1.0
HB1 B:ALA36 4.7 33.0 1.0
HA A:ASP202 4.7 21.3 1.0
O A:HOH672 4.7 27.6 1.0
HG2 B:GLU40 4.8 27.5 1.0
HB2 A:ASP202 4.8 22.2 1.0
HA2 B:GLY37 4.8 26.5 1.0
O A:GLU198 5.0 21.3 1.0

Calcium binding site 2 out of 4 in 4jx1

Go back to Calcium Binding Sites List in 4jx1
Calcium binding site 2 out of 4 in the Crystal Structure of Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor


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 Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca503

b:20.8
occ:1.00
 OD1 B:ASP202 2.4 18.5 1.0
OD2 B:ASP202 2.4 19.8 1.0
OE2 B:GLU198 2.5 32.6 1.0
CG B:ASP202 2.7 18.9 1.0
CD B:GLU198 3.5 37.8 1.0
HG3 B:GLU198 3.9 51.7 1.0
CG B:GLU198 4.2 43.1 1.0
CB B:ASP202 4.2 18.6 1.0
HG2 B:GLU198 4.3 51.7 1.0
O B:HOH845 4.3 27.5 1.0
HB3 B:ASP202 4.4 22.3 1.0
OE1 B:GLU198 4.4 24.4 1.0
HB2 B:ASP202 4.7 22.3 1.0
HA B:ASP202 4.7 21.1 1.0
O B:HOH607 4.8 16.9 1.0
O B:GLU198 5.0 22.7 1.0

Calcium binding site 3 out of 4 in 4jx1

Go back to Calcium Binding Sites List in 4jx1
Calcium binding site 3 out of 4 in the Crystal Structure of Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor


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 Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca505

b:21.7
occ:1.00
 OE2 E:GLU198 2.2 17.8 1.0
O E:HOH692 2.4 21.6 1.0
OD1 E:ASP202 2.4 21.4 1.0
O F:HOH679 2.4 17.2 1.0
O F:ALA36 2.4 19.7 1.0
O E:HOH652 2.5 16.7 1.0
OD2 E:ASP202 2.6 29.8 1.0
CG E:ASP202 2.8 25.1 1.0
CD E:GLU198 3.3 19.7 1.0
C F:ALA36 3.4 16.1 1.0
HG3 E:GLU198 3.5 33.2 1.0
HA F:ALA36 3.8 19.3 1.0
CG E:GLU198 3.8 27.6 1.0
HG2 E:GLU198 3.9 33.2 1.0
HA3 F:GLY37 3.9 16.3 1.0
HZ3 F:LYS266 4.1 56.7 1.0
CA F:ALA36 4.2 16.1 1.0
OE2 F:GLU40 4.2 16.5 1.0
HZ2 F:LYS266 4.3 56.7 1.0
HZ1 F:LYS266 4.3 56.7 1.0
N F:GLY37 4.3 16.7 1.0
CB E:ASP202 4.3 24.5 1.0
O E:HOH737 4.4 20.6 1.0
OE1 E:GLU198 4.4 28.8 1.0
NZ F:LYS266 4.4 47.3 1.0
O E:HOH774 4.4 35.2 1.0
O E:HOH662 4.5 24.7 1.0
HB1 F:ALA36 4.5 23.0 1.0
CA F:GLY37 4.5 13.6 1.0
CD F:GLU40 4.6 17.8 1.0
HB3 E:ASP202 4.6 29.4 1.0
O F:HOH899 4.6 27.1 1.0
O F:HOH756 4.7 21.4 1.0
OE1 F:GLU40 4.7 16.6 1.0
HA2 F:GLY37 4.8 16.3 1.0
HB2 E:ASP202 4.8 29.4 1.0
HA E:ASP202 4.9 21.2 1.0
O E:GLU198 4.9 17.8 1.0
HG2 F:GLU40 4.9 24.6 1.0
CB F:ALA36 5.0 19.2 1.0
O F:SER35 5.0 22.6 1.0

Calcium binding site 4 out of 4 in 4jx1

Go back to Calcium Binding Sites List in 4jx1
Calcium binding site 4 out of 4 in the Crystal Structure of Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor


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 Reduced Cytochrome P450CAM-Putidaredoxin Complex Bound to Camphor and 5-Exo-Hydroxycamphor within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca504

b:18.8
occ:1.00
 OE2 F:GLU198 2.3 18.9 1.0
OD1 F:ASP202 2.4 19.1 1.0
O F:HOH632 2.5 17.9 1.0
OD2 F:ASP202 2.6 22.9 1.0
CG F:ASP202 2.9 23.9 1.0
CD F:GLU198 3.3 28.5 1.0
HG3 F:GLU198 3.5 21.9 1.0
O F:HOH760 3.8 36.5 1.0
CG F:GLU198 3.9 18.2 1.0
HG2 F:GLU198 3.9 21.9 1.0
OE1 F:GLU198 4.4 28.7 1.0
CB F:ASP202 4.4 21.4 1.0
O F:HOH626 4.6 14.4 1.0
HB3 F:ASP202 4.7 25.7 1.0
HA F:ASP202 4.8 21.9 1.0
HB2 F:ASP202 4.9 25.7 1.0
O F:GLU198 5.0 22.1 1.0

Reference:

S.Tripathi, H.Li, T.L.Poulos. Structural Basis For Effector Control and Redox Partner Recognition in Cytochrome P450. Science V. 340 1227 2013.
ISSN: ISSN 0036-8075
PubMed: 23744947
DOI: 10.1126/SCIENCE.1235797
Page generated: Sun Jul 14 08:41:42 2024

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