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Iron in PDB 6ds7: Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site

Enzymatic activity of Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site

All present enzymatic activity of Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site:
1.14.14.18;

Protein crystallography data

The structure of Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site, PDB code: 6ds7 was solved by A.Chao, C.W.Goulding, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.33 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 38.210, 68.571, 74.090, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 22.7

Other elements in 6ds7:

The structure of Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site (pdb code 6ds7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site, PDB code: 6ds7:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 6ds7

Go back to Iron Binding Sites List in 6ds7
Iron binding site 1 out of 4 in the Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site


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 Mhud R26S Mutant with Two Hemes Bound Per Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:21.2
occ:1.00
 FE A:HEM201 0.0 21.2 1.0
NA A:HEM201 2.0 21.3 1.0
ND A:HEM201 2.0 22.2 1.0
NC A:HEM201 2.0 18.6 1.0
NB A:HEM201 2.1 21.4 1.0
NE2 A:HIS75 2.2 22.2 1.0
C4D A:HEM201 3.0 22.9 1.0
C1A A:HEM201 3.1 27.1 1.0
C4A A:HEM201 3.1 26.3 1.0
C1C A:HEM201 3.1 14.5 1.0
C1D A:HEM201 3.1 17.1 1.0
C4C A:HEM201 3.1 19.6 1.0
C4B A:HEM201 3.1 23.2 1.0
CE1 A:HIS75 3.1 25.2 1.0
C1B A:HEM201 3.1 22.8 1.0
CD2 A:HIS75 3.3 22.1 1.0
CHA A:HEM201 3.4 26.5 1.0
CHC A:HEM201 3.4 21.0 1.0
CHB A:HEM201 3.5 26.2 1.0
CHD A:HEM201 3.5 20.1 1.0
C4D A:HEM202 3.6 18.6 1.0
CHA A:HEM202 3.7 15.7 1.0
ND A:HEM202 3.9 19.2 1.0
C1A A:HEM202 4.0 21.5 1.0
C3D A:HEM202 4.1 17.1 1.0
C3D A:HEM201 4.2 22.6 1.0
NA A:HEM202 4.2 19.6 1.0
ND1 A:HIS75 4.3 25.9 1.0
C3A A:HEM201 4.3 27.4 1.0
C2D A:HEM201 4.3 21.0 1.0
C2A A:HEM201 4.3 26.9 1.0
C2C A:HEM201 4.3 17.5 1.0
C3C A:HEM201 4.3 21.8 1.0
C3B A:HEM201 4.3 28.8 1.0
C2B A:HEM201 4.4 24.8 1.0
CG A:HIS75 4.4 23.0 1.0
C1D A:HEM202 4.4 16.1 1.0
C2D A:HEM202 4.5 15.2 1.0
C2A A:HEM202 4.7 22.6 1.0
CAD A:HEM202 4.8 20.0 1.0
FE A:HEM202 4.9 18.8 1.0
C4A A:HEM202 5.0 21.0 1.0

Iron binding site 2 out of 4 in 6ds7

Go back to Iron Binding Sites List in 6ds7
Iron binding site 2 out of 4 in the Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site


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 Mhud R26S Mutant with Two Hemes Bound Per Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe202

b:18.8
occ:1.00
 FE A:HEM202 0.0 18.8 1.0
NC A:HEM202 2.0 18.7 1.0
ND A:HEM202 2.0 19.2 1.0
NB A:HEM202 2.0 20.3 1.0
NA A:HEM202 2.2 19.6 1.0
CL A:CL203 2.4 23.6 1.0
C1D A:HEM202 2.9 16.1 1.0
C4C A:HEM202 3.0 20.9 1.0
C1C A:HEM202 3.0 22.9 1.0
C4B A:HEM202 3.0 23.9 1.0
C1B A:HEM202 3.0 19.6 1.0
C4D A:HEM202 3.1 18.6 1.0
C4A A:HEM202 3.2 21.0 1.0
C1A A:HEM202 3.2 21.5 1.0
CHD A:HEM202 3.3 9.6 1.0
CHC A:HEM202 3.4 23.3 1.0
CHB A:HEM202 3.5 19.8 1.0
CHA A:HEM202 3.5 15.7 1.0
C4C A:HEM201 3.7 19.6 1.0
CHD A:HEM201 3.7 20.1 1.0
C3C A:HEM201 4.1 21.8 1.0
NC A:HEM201 4.1 18.6 1.0
ND2 A:ASN7 4.1 20.5 1.0
C1D A:HEM201 4.2 17.1 1.0
C2D A:HEM202 4.2 15.2 1.0
C3C A:HEM202 4.2 18.8 1.0
C2B A:HEM202 4.2 22.4 1.0
C3B A:HEM202 4.2 24.3 1.0
C3D A:HEM202 4.2 17.1 1.0
C2C A:HEM202 4.2 23.6 1.0
C3A A:HEM202 4.4 21.6 1.0
C2A A:HEM202 4.4 22.6 1.0
ND A:HEM201 4.4 22.2 1.0
CAC A:HEM201 4.5 18.9 1.0
C1C A:HEM201 4.6 14.5 1.0
C2C A:HEM201 4.7 17.5 1.0
CZ A:PHE23 4.8 16.4 1.0
FE A:HEM201 4.9 21.2 1.0
CG A:ASN7 5.0 23.1 1.0

Iron binding site 3 out of 4 in 6ds7

Go back to Iron Binding Sites List in 6ds7
Iron binding site 3 out of 4 in the Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site


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 Mhud R26S Mutant with Two Hemes Bound Per Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:19.3
occ:1.00
 FE B:HEM201 0.0 19.3 1.0
ND B:HEM201 2.0 18.7 1.0
NC B:HEM201 2.0 20.8 1.0
NB B:HEM201 2.0 20.0 1.0
NA B:HEM201 2.1 24.6 1.0
NE2 B:HIS75 2.2 18.3 1.0
C4D B:HEM201 3.0 22.6 1.0
C1D B:HEM201 3.0 22.0 1.0
C1C B:HEM201 3.0 22.1 1.0
C4C B:HEM201 3.0 21.4 1.0
C4B B:HEM201 3.0 20.5 1.0
CE1 B:HIS75 3.1 20.7 1.0
C1B B:HEM201 3.1 23.1 1.0
C4A B:HEM201 3.1 22.1 1.0
C1A B:HEM201 3.1 25.9 1.0
CD2 B:HIS75 3.3 24.6 1.0
CHC B:HEM201 3.4 22.3 1.0
CHD B:HEM201 3.4 14.5 1.0
CHA B:HEM201 3.4 19.5 1.0
CHB B:HEM201 3.5 25.5 1.0
C4D B:HEM202 3.6 25.4 1.0
CHA B:HEM202 3.7 24.6 1.0
ND B:HEM202 3.9 18.9 1.0
C1A B:HEM202 3.9 23.9 1.0
C3D B:HEM202 4.1 24.8 1.0
C3D B:HEM201 4.2 24.1 1.0
C2D B:HEM201 4.2 25.3 1.0
ND1 B:HIS75 4.2 21.7 1.0
C2C B:HEM201 4.2 22.7 1.0
C3C B:HEM201 4.2 19.5 1.0
C3B B:HEM201 4.3 22.5 1.0
NA B:HEM202 4.3 18.9 1.0
C2B B:HEM201 4.3 24.8 1.0
C3A B:HEM201 4.3 28.1 1.0
CG B:HIS75 4.3 23.0 1.0
C2A B:HEM201 4.4 32.7 1.0
C1D B:HEM202 4.4 17.7 1.0
C2A B:HEM202 4.5 21.6 1.0
C2D B:HEM202 4.5 20.2 1.0
CAD B:HEM202 4.7 21.8 1.0
FE B:HEM202 4.9 18.0 1.0

Iron binding site 4 out of 4 in 6ds7

Go back to Iron Binding Sites List in 6ds7
Iron binding site 4 out of 4 in the Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe202

b:18.0
occ:1.00
 FE B:HEM202 0.0 18.0 1.0
ND B:HEM202 2.0 18.9 1.0
NA B:HEM202 2.0 18.9 1.0
NC B:HEM202 2.0 13.6 1.0
NB B:HEM202 2.0 16.7 1.0
CL B:CL203 2.3 19.6 1.0
C1D B:HEM202 3.0 17.7 1.0
C4D B:HEM202 3.0 25.4 1.0
C4C B:HEM202 3.1 14.3 1.0
C4A B:HEM202 3.1 20.9 1.0
C1C B:HEM202 3.1 16.2 1.0
C4B B:HEM202 3.1 15.9 1.0
C1A B:HEM202 3.1 23.9 1.0
C1B B:HEM202 3.1 20.2 1.0
CHD B:HEM202 3.4 13.0 1.0
CHC B:HEM202 3.4 19.0 1.0
CHB B:HEM202 3.4 16.4 1.0
CHA B:HEM202 3.4 24.6 1.0
C4C B:HEM201 3.8 21.4 1.0
CHD B:HEM201 3.8 14.5 1.0
ND2 B:ASN7 4.0 22.3 1.0
C3C B:HEM201 4.1 19.5 1.0
NC B:HEM201 4.2 20.8 1.0
C2D B:HEM202 4.2 20.2 1.0
C3D B:HEM202 4.2 24.8 1.0
C1D B:HEM201 4.2 22.0 1.0
C3C B:HEM202 4.3 13.4 1.0
C2A B:HEM202 4.3 21.6 1.0
C2C B:HEM202 4.3 13.5 1.0
C3A B:HEM202 4.3 21.9 1.0
C3B B:HEM202 4.3 17.9 1.0
C2B B:HEM202 4.3 15.6 1.0
ND B:HEM201 4.5 18.7 1.0
CAC B:HEM201 4.5 21.5 1.0
CZ B:PHE23 4.6 18.5 1.0
C2C B:HEM201 4.7 22.7 1.0
C1C B:HEM201 4.7 22.1 1.0
CG B:ASN7 4.9 23.1 1.0
FE B:HEM201 4.9 19.3 1.0

Reference:

A.Chao, C.W.Goulding. Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site To Be Published.
Page generated: Tue Aug 6 16:59:57 2024

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