Atomistry » Cobalt » PDB 7nqf-7vo8 » 7q9e
Atomistry »
  Cobalt »
    PDB 7nqf-7vo8 »
      7q9e »

Cobalt in PDB 7q9e: CYP106A1

Protein crystallography data

The structure of CYP106A1, PDB code: 7q9e was solved by Y.Carius, M.Hutter, F.Kiss, R.Bernhardt, C.R.D.Lancaster, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.82 / 1.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 63.69, 82.87, 84.86, 95.36, 90, 90
R / Rfree (%) 16.9 / 20.6

Other elements in 7q9e:

The structure of CYP106A1 also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Cobalt Binding Sites:

The binding sites of Cobalt atom in the CYP106A1 (pdb code 7q9e). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 3 binding sites of Cobalt where determined in the CYP106A1, PDB code: 7q9e:
Jump to Cobalt binding site number: 1; 2; 3;

Cobalt binding site 1 out of 3 in 7q9e

Go back to Cobalt Binding Sites List in 7q9e
Cobalt binding site 1 out of 3 in the CYP106A1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of CYP106A1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co507

b:58.6
occ:1.00
ND1 B:HIS97 3.1 14.4 1.0
CG B:ARG98 3.4 26.0 1.0
CD B:ARG98 3.4 29.6 1.0
CE1 B:HIS97 3.8 14.8 1.0
CG B:PRO94 3.9 18.8 1.0
CA B:ARG98 4.0 19.1 1.0
N B:ARG98 4.1 16.7 1.0
O B:HOH859 4.1 33.8 1.0
CB B:PRO353 4.2 16.4 1.0
CB B:ARG98 4.2 21.9 1.0
CG B:HIS97 4.2 13.9 1.0
O B:HOH854 4.4 31.1 1.0
CB B:PRO94 4.5 19.1 1.0
CB B:HIS97 4.5 13.7 1.0
C B:HIS97 4.6 17.3 1.0
O B:HOH683 4.6 27.0 1.0
CA B:PRO353 4.8 14.6 1.0
NE B:ARG98 4.9 28.4 1.0
CG B:PRO353 4.9 16.1 1.0
O B:HIS97 5.0 15.6 1.0

Cobalt binding site 2 out of 3 in 7q9e

Go back to Cobalt Binding Sites List in 7q9e
Cobalt binding site 2 out of 3 in the CYP106A1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of CYP106A1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co508

b:69.5
occ:1.00
ND1 B:HIS339 3.2 22.0 1.0
NZ B:LYS280 3.3 36.1 1.0
O B:HOH806 3.4 48.8 1.0
CB B:HIS339 4.0 18.2 1.0
CG B:HIS339 4.0 18.9 1.0
CE B:LYS280 4.2 30.7 1.0
CE1 B:HIS339 4.2 21.3 1.0
CA B:HIS339 4.4 18.1 1.0
O B:HIS339 4.5 16.8 1.0
CD B:LYS280 4.7 25.3 1.0

Cobalt binding site 3 out of 3 in 7q9e

Go back to Cobalt Binding Sites List in 7q9e
Cobalt binding site 3 out of 3 in the CYP106A1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of CYP106A1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Co504

b:71.1
occ:1.00
O D:HOH749 3.2 38.0 1.0
NZ D:LYS280 3.3 32.3 1.0
ND1 D:HIS339 3.5 20.8 1.0
CB D:HIS339 4.3 17.7 1.0
CG D:HIS339 4.3 17.6 1.0
CE1 D:HIS339 4.4 20.8 1.0
O D:HOH674 4.5 49.6 1.0
O D:HOH692 4.6 42.5 1.0
CE D:LYS280 4.7 26.5 1.0
CA D:HIS339 4.7 17.8 1.0
O D:HIS339 4.7 17.3 1.0
CD D:LYS280 5.0 23.0 1.0

Reference:

Y.Carius, M.Hutter, F.Kiss, R.Bernhardt, C.R.D.Lancaster. Structural Comparison of the Cytochrome P450 Enzymes CYP106A1 and CYP106A2 Provides Insight Into Their Differences in Steroid Conversion. Febs Lett. V. 596 3133 2022.
ISSN: ISSN 0014-5793
PubMed: 36151590
DOI: 10.1002/1873-3468.14502
Page generated: Tue Jul 30 19:22:44 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