Iron in PDB 7fhr: Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans

Enzymatic activity of Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans

All present enzymatic activity of Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans:
1.14.12.7;

Protein crystallography data

The structure of Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans, PDB code: 7fhr was solved by J.K.Mahto, P.Dhankhar, P.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 58.71 / 1.84
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 103.416, 103.416, 77.59, 90, 90, 120
R / Rfree (%) 16.4 / 21.2

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans (pdb code 7fhr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans, PDB code: 7fhr:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 7fhr

Go back to Iron Binding Sites List in 7fhr
Iron binding site 1 out of 3 in the Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe506

b:34.4
occ:1.00
FE1 A:FES506 0.0 34.4 1.0
ND1 A:HIS91 2.1 29.7 1.0
ND1 A:HIS71 2.1 33.3 1.0
S1 A:FES506 2.2 36.4 1.0
S2 A:FES506 2.2 32.5 1.0
FE2 A:FES506 2.7 36.6 1.0
CG A:HIS91 3.1 28.6 1.0
CG A:HIS71 3.1 34.9 1.0
CE1 A:HIS91 3.1 28.5 1.0
CE1 A:HIS71 3.1 36.9 1.0
CB A:HIS71 3.3 33.3 1.0
CB A:HIS91 3.3 30.9 1.0
N A:HIS91 3.7 32.1 1.0
CB A:TYR90 3.9 29.1 1.0
CA A:HIS91 4.1 31.7 1.0
NE2 A:HIS91 4.2 30.1 1.0
CD2 A:HIS91 4.2 29.4 1.0
N A:ARG72 4.2 34.1 1.0
CD2 A:HIS71 4.2 37.3 1.0
NE2 A:HIS71 4.2 39.4 1.0
SG A:CYS69 4.4 33.5 1.0
CG A:TYR90 4.4 29.9 1.0
C A:TYR90 4.4 32.8 1.0
CD2 A:TYR90 4.5 29.3 1.0
SG A:CYS88 4.5 34.1 1.0
CA A:HIS71 4.6 33.3 1.0
CB A:ARG72 4.7 38.8 1.0
CA A:TYR90 4.7 31.2 1.0
NE1 A:TRP93 4.9 33.8 1.0
C A:HIS91 4.9 33.3 1.0
C A:HIS71 4.9 34.6 1.0
CD1 A:TRP93 4.9 33.3 1.0
CA A:ARG72 5.0 34.3 1.0

Iron binding site 2 out of 3 in 7fhr

Go back to Iron Binding Sites List in 7fhr
Iron binding site 2 out of 3 in the Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe506

b:36.6
occ:1.00
FE2 A:FES506 0.0 36.6 1.0
S2 A:FES506 2.2 32.5 1.0
SG A:CYS69 2.2 33.5 1.0
S1 A:FES506 2.2 36.4 1.0
SG A:CYS88 2.3 34.1 1.0
FE1 A:FES506 2.7 34.4 1.0
CB A:CYS69 3.0 30.3 1.0
CB A:CYS88 3.1 32.4 1.0
CB A:HIS71 4.0 33.3 1.0
CB A:TYR90 4.2 29.1 1.0
CB A:ALA74 4.3 28.9 1.0
ND1 A:HIS71 4.4 33.3 1.0
CA A:CYS69 4.5 31.2 1.0
CA A:CYS88 4.5 34.1 1.0
ND1 A:HIS91 4.6 29.7 1.0
N A:HIS91 4.6 32.1 1.0
CG A:HIS71 4.7 34.9 1.0
N A:ARG72 4.8 34.1 1.0
N A:ALA74 4.8 30.8 1.0
N A:TYR90 4.8 32.3 1.0
N A:HIS71 4.9 31.1 1.0
C A:CYS88 4.9 33.8 1.0
CA A:HIS71 4.9 33.3 1.0
CB A:TRP93 5.0 32.0 1.0
C A:CYS69 5.0 31.2 1.0

Iron binding site 3 out of 3 in 7fhr

Go back to Iron Binding Sites List in 7fhr
Iron binding site 3 out of 3 in the Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe507

b:25.4
occ:1.00
OXT A:GLU504 1.8 42.8 1.0
NE2 A:HIS181 1.9 32.6 1.0
NE2 A:HIS186 2.0 36.2 1.0
OD1 A:ASP349 2.0 33.1 1.0
O A:GLU504 2.5 61.1 1.0
C A:GLU504 2.5 52.5 1.0
OD2 A:ASP349 2.5 33.6 1.0
CG A:ASP349 2.6 32.2 1.0
CE1 A:HIS181 2.9 33.1 1.0
CE1 A:HIS186 2.9 37.0 1.0
CD2 A:HIS186 3.0 35.0 1.0
CD2 A:HIS181 3.0 30.9 1.0
O A:HOH764 3.8 38.4 1.0
CA A:GLU504 4.0 57.5 1.0
ND1 A:HIS181 4.0 32.5 1.0
ND1 A:HIS186 4.1 37.1 1.0
CB A:ASP349 4.1 30.7 1.0
CG A:HIS186 4.1 37.9 1.0
CG A:HIS181 4.1 31.4 1.0
CD2 A:LEU185 4.3 33.1 1.0
N A:GLU504 4.5 56.3 0.4
O A:HOH755 4.6 55.0 1.0
O A:HOH832 4.6 56.1 1.0
CB A:GLU504 4.8 59.0 1.0
CA A:ASP349 4.8 31.6 1.0
CA A:ALA182 4.9 39.2 1.0
O A:GLY175 4.9 40.8 1.0

Reference:

J.K.Mahto, N.Neetu, B.Waghmode, E.Kuatsjah, M.Sharma, D.Sircar, A.K.Sharma, S.Tomar, L.D.Eltis, P.Kumar. Molecular Insights Into Substrate Recognition and Catalysis By Phthalate Dioxygenase From Comamonas Testosteroni. J.Biol.Chem. 01416 2021.
ISSN: ESSN 1083-351X
PubMed: 34800435
DOI: 10.1016/J.JBC.2021.101416
Page generated: Fri Dec 17 09:32:38 2021

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