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Cobalt in PDB 7zzl: Crystal Structure of CYP106A1

Protein crystallography data

The structure of Crystal Structure of CYP106A1, PDB code: 7zzl was solved by Y.Carius, F.Kiss, M.Hutter, 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 7zzl:

The structure of Crystal Structure of CYP106A1 also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Cobalt Binding Sites:

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

Cobalt binding site 1 out of 3 in 7zzl

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure 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 7zzl

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure 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 7zzl

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure 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 19:41:15 2024

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