Atomistry » Iron » PDB 2yeq-2z4g » 2yoo
Atomistry »
  Iron »
    PDB 2yeq-2z4g »
      2yoo »

Iron in PDB 2yoo: Cholest-4-En-3-One Bound Structure of CYP142 From Mycobacterium Smegmatis

Protein crystallography data

The structure of Cholest-4-En-3-One Bound Structure of CYP142 From Mycobacterium Smegmatis, PDB code: 2yoo was solved by E.Garcia-Fernandez, D.J.Frank, B.Galan, P.M.Kells, L.M.Podust, J.L.Garcia, P.R.Ortiz De Montellano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 126.53 / 1.69
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 56.683, 106.213, 126.536, 90.00, 90.67, 90.00
R / Rfree (%) 16.5 / 21.9

Other elements in 2yoo:

The structure of Cholest-4-En-3-One Bound Structure of CYP142 From Mycobacterium Smegmatis also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Cholest-4-En-3-One Bound Structure of CYP142 From Mycobacterium Smegmatis (pdb code 2yoo). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Cholest-4-En-3-One Bound Structure of CYP142 From Mycobacterium Smegmatis, PDB code: 2yoo:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 2yoo

Go back to Iron Binding Sites List in 2yoo
Iron binding site 1 out of 4 in the Cholest-4-En-3-One Bound Structure of CYP142 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cholest-4-En-3-One Bound Structure of CYP142 From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1402

b:9.0
occ:1.00
FE A:HEM1402 0.0 9.0 1.0
NB A:HEM1402 2.1 8.4 1.0
NC A:HEM1402 2.1 6.1 1.0
NA A:HEM1402 2.1 8.7 1.0
ND A:HEM1402 2.1 9.6 1.0
SG A:CYS343 2.4 8.1 1.0
C4B A:HEM1402 3.1 8.6 1.0
C4A A:HEM1402 3.1 7.8 1.0
C4C A:HEM1402 3.1 4.2 1.0
C1B A:HEM1402 3.1 8.2 1.0
C1C A:HEM1402 3.1 8.5 1.0
C1A A:HEM1402 3.1 9.4 1.0
C4D A:HEM1402 3.1 9.3 1.0
C1D A:HEM1402 3.2 8.1 1.0
CHC A:HEM1402 3.4 7.4 1.0
CB A:CYS343 3.4 8.5 1.0
CHB A:HEM1402 3.5 4.4 1.0
CHA A:HEM1402 3.5 7.6 1.0
CHD A:HEM1402 3.5 7.9 1.0
CA A:CYS343 4.0 7.7 1.0
C26 A:K2B1404 4.1 12.6 1.0
C3B A:HEM1402 4.3 12.7 1.0
C3C A:HEM1402 4.3 7.4 1.0
C2C A:HEM1402 4.3 7.5 1.0
C2B A:HEM1402 4.3 8.2 1.0
C2A A:HEM1402 4.3 6.4 1.0
C3A A:HEM1402 4.3 5.9 1.0
C2D A:HEM1402 4.4 11.1 1.0
C3D A:HEM1402 4.4 6.2 1.0
N A:GLY345 4.6 9.8 1.0
N A:LEU344 4.6 7.5 1.0
C A:CYS343 4.7 7.8 1.0
CA A:GLY233 4.9 9.3 1.0

Iron binding site 2 out of 4 in 2yoo

Go back to Iron Binding Sites List in 2yoo
Iron binding site 2 out of 4 in the Cholest-4-En-3-One Bound Structure of CYP142 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cholest-4-En-3-One Bound Structure of CYP142 From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1402

b:8.2
occ:1.00
FE B:HEM1402 0.0 8.2 1.0
NB B:HEM1402 2.0 6.3 1.0
NA B:HEM1402 2.1 6.9 1.0
ND B:HEM1402 2.1 6.6 1.0
NC B:HEM1402 2.1 5.0 1.0
SG B:CYS343 2.4 8.4 1.0
C4B B:HEM1402 3.1 7.2 1.0
C4A B:HEM1402 3.1 6.1 1.0
C4D B:HEM1402 3.1 4.0 1.0
C1B B:HEM1402 3.1 8.8 1.0
C1A B:HEM1402 3.1 5.6 1.0
C1C B:HEM1402 3.1 9.1 1.0
C4C B:HEM1402 3.1 6.4 1.0
C1D B:HEM1402 3.2 10.4 1.0
CB B:CYS343 3.4 6.5 1.0
CHC B:HEM1402 3.4 7.4 1.0
CHA B:HEM1402 3.4 4.8 1.0
CHB B:HEM1402 3.4 5.7 1.0
CHD B:HEM1402 3.5 5.3 1.0
C26 B:K2B1404 3.9 11.1 1.0
CA B:CYS343 4.0 7.6 1.0
C3B B:HEM1402 4.3 5.1 1.0
C2B B:HEM1402 4.3 7.4 1.0
C3A B:HEM1402 4.3 9.0 1.0
C2A B:HEM1402 4.3 8.6 1.0
C3D B:HEM1402 4.3 7.6 1.0
C3C B:HEM1402 4.4 5.3 1.0
C2C B:HEM1402 4.4 8.3 1.0
C2D B:HEM1402 4.4 9.7 1.0
N B:GLY345 4.5 7.2 1.0
C B:CYS343 4.6 7.8 1.0
N B:LEU344 4.7 6.6 1.0
CD1 B:PHE336 5.0 4.0 1.0

Iron binding site 3 out of 4 in 2yoo

Go back to Iron Binding Sites List in 2yoo
Iron binding site 3 out of 4 in the Cholest-4-En-3-One Bound Structure of CYP142 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cholest-4-En-3-One Bound Structure of CYP142 From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1402

b:8.4
occ:1.00
FE C:HEM1402 0.0 8.4 1.0
NB C:HEM1402 2.0 8.0 1.0
NA C:HEM1402 2.1 8.3 1.0
ND C:HEM1402 2.1 9.5 1.0
NC C:HEM1402 2.2 7.5 1.0
SG C:CYS343 2.4 7.8 1.0
C1A C:HEM1402 3.0 7.1 1.0
C4D C:HEM1402 3.1 6.7 1.0
C4B C:HEM1402 3.1 9.6 1.0
C4A C:HEM1402 3.1 5.3 1.0
C1C C:HEM1402 3.1 9.1 1.0
C1B C:HEM1402 3.1 8.0 1.0
C1D C:HEM1402 3.1 8.6 1.0
C4C C:HEM1402 3.2 5.6 1.0
CHA C:HEM1402 3.4 7.7 1.0
CHC C:HEM1402 3.4 11.6 1.0
CB C:CYS343 3.4 5.4 1.0
CHD C:HEM1402 3.5 7.7 1.0
CHB C:HEM1402 3.5 8.9 1.0
C26 C:K2B1404 4.0 11.8 1.0
CA C:CYS343 4.0 5.4 1.0
C2A C:HEM1402 4.3 7.9 1.0
C3A C:HEM1402 4.3 7.2 1.0
C3B C:HEM1402 4.3 8.5 1.0
C2B C:HEM1402 4.3 9.2 1.0
C3D C:HEM1402 4.3 10.7 1.0
C2D C:HEM1402 4.3 10.1 1.0
C2C C:HEM1402 4.3 8.9 1.0
C3C C:HEM1402 4.4 10.3 1.0
N C:GLY345 4.6 7.7 1.0
C C:CYS343 4.6 5.9 1.0
N C:LEU344 4.6 7.9 1.0

Iron binding site 4 out of 4 in 2yoo

Go back to Iron Binding Sites List in 2yoo
Iron binding site 4 out of 4 in the Cholest-4-En-3-One Bound Structure of CYP142 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cholest-4-En-3-One Bound Structure of CYP142 From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe1402

b:8.1
occ:1.00
FE D:HEM1402 0.0 8.1 1.0
NC D:HEM1402 2.1 6.3 1.0
ND D:HEM1402 2.1 9.8 1.0
NB D:HEM1402 2.1 9.1 1.0
NA D:HEM1402 2.1 5.5 1.0
SG D:CYS343 2.4 9.0 1.0
C4C D:HEM1402 3.0 7.5 1.0
C1C D:HEM1402 3.1 8.7 1.0
C4A D:HEM1402 3.1 2.7 1.0
C1D D:HEM1402 3.1 7.4 1.0
C4D D:HEM1402 3.1 9.6 1.0
C1A D:HEM1402 3.1 4.6 1.0
C4B D:HEM1402 3.1 7.4 1.0
C1B D:HEM1402 3.1 6.3 1.0
CHD D:HEM1402 3.4 8.7 1.0
CB D:CYS343 3.4 7.3 1.0
CHB D:HEM1402 3.5 3.1 1.0
CHA D:HEM1402 3.5 6.7 1.0
CHC D:HEM1402 3.5 8.6 1.0
CA D:CYS343 4.0 8.1 1.0
C26 D:K2B1404 4.0 11.4 1.0
C3C D:HEM1402 4.3 9.2 1.0
C2C D:HEM1402 4.3 6.9 1.0
C3A D:HEM1402 4.3 6.1 1.0
C3D D:HEM1402 4.3 8.1 1.0
C2D D:HEM1402 4.3 8.0 1.0
C2A D:HEM1402 4.3 5.3 1.0
C2B D:HEM1402 4.3 8.5 1.0
C3B D:HEM1402 4.4 8.0 1.0
N D:GLY345 4.5 7.8 1.0
N D:LEU344 4.6 7.7 1.0
C D:CYS343 4.6 7.4 1.0
O D:GLY233 5.0 9.6 1.0

Reference:

E.Garcia-Fernandez, D.J.Frank, B.Galan, P.M.Kells, L.M.Podust, J.L.Garcia, P.R.Ortiz De Montellano. A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol. V. 15 2342 2013.
ISSN: ISSN 1462-2912
PubMed: 23489718
DOI: 10.1111/1462-2920.12108
Page generated: Sun Aug 4 05:40:59 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy