Iron in PDB 7adx: Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form

Protein crystallography data

The structure of Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form, PDB code: 7adx was solved by T.Moreno Chicano, A.Ebrahim, J.W.Worrall, D.A.Axford, S.Owada, T.Tosha, H.Sugimoto, R.W.Strange, R.L.Owen, M.A.Hough, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.63 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.31, 68.1, 68.33, 90, 90, 90
R / Rfree (%) 16.5 / 19.1

Iron Binding Sites:

The binding sites of Iron atom in the Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form (pdb code 7adx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form, PDB code: 7adx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 7adx

Go back to Iron Binding Sites List in 7adx
Iron binding site 1 out of 2 in the Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:37.2
occ:1.00
FE A:HEM201 0.0 37.2 1.0
ND A:HEM201 1.9 35.7 1.0
NE2 A:HIS89 1.9 40.7 1.0
NA A:HEM201 2.0 38.0 1.0
NC A:HEM201 2.1 36.7 1.0
NB A:HEM201 2.1 33.9 1.0
CE1 A:HIS89 2.9 40.2 1.0
C1D A:HEM201 2.9 36.8 1.0
C4D A:HEM201 2.9 36.0 1.0
C1A A:HEM201 3.0 41.9 1.0
C4A A:HEM201 3.0 38.1 1.0
C4C A:HEM201 3.0 34.9 1.0
CD2 A:HIS89 3.1 40.4 1.0
C1B A:HEM201 3.1 32.6 1.0
C4B A:HEM201 3.1 32.7 1.0
C1C A:HEM201 3.2 34.0 1.0
CHA A:HEM201 3.4 39.3 1.0
CHD A:HEM201 3.4 37.2 1.0
CHB A:HEM201 3.5 35.6 1.0
CHC A:HEM201 3.5 35.3 1.0
ND1 A:HIS89 4.0 37.1 1.0
NE2 A:HIS55 4.1 39.9 1.0
CG A:HIS89 4.1 37.7 1.0
CG2 A:VAL59 4.2 25.6 1.0
C3D A:HEM201 4.2 36.7 1.0
C2D A:HEM201 4.2 37.4 1.0
C3A A:HEM201 4.2 39.3 1.0
C2A A:HEM201 4.2 43.4 1.0
C3C A:HEM201 4.3 37.5 1.0
C2C A:HEM201 4.3 34.7 1.0
C2B A:HEM201 4.4 30.4 1.0
C3B A:HEM201 4.4 30.8 1.0
CE A:MET86 4.7 42.5 1.0
CE1 A:HIS55 4.8 37.0 1.0

Iron binding site 2 out of 2 in 7adx

Go back to Iron Binding Sites List in 7adx
Iron binding site 2 out of 2 in the Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Sfx Structure of Dehaloperoxidase B in the Oxyferrous Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:32.1
occ:1.00
FE B:HEM201 0.0 32.1 1.0
ND B:HEM201 1.9 29.7 1.0
NE2 B:HIS89 1.9 35.0 1.0
NA B:HEM201 2.0 28.0 1.0
NC B:HEM201 2.0 30.1 1.0
O2 B:OXY202 2.1 38.4 1.0
NB B:HEM201 2.1 30.3 1.0
CE1 B:HIS89 2.9 38.0 1.0
C4D B:HEM201 2.9 32.6 1.0
C1D B:HEM201 3.0 29.9 1.0
CD2 B:HIS89 3.0 36.7 1.0
C1A B:HEM201 3.0 31.1 1.0
C4C B:HEM201 3.0 29.3 1.0
C4A B:HEM201 3.0 27.0 1.0
O1 B:OXY202 3.0 49.0 1.0
C1C B:HEM201 3.1 28.4 1.0
C1B B:HEM201 3.1 27.1 1.0
C4B B:HEM201 3.1 27.2 1.0
CHD B:HEM201 3.4 29.8 1.0
CHA B:HEM201 3.4 29.8 1.0
CHB B:HEM201 3.4 28.2 1.0
CHC B:HEM201 3.5 30.4 1.0
ND1 B:HIS89 4.0 42.5 1.0
CG B:HIS89 4.1 37.2 1.0
C3D B:HEM201 4.2 34.0 1.0
C2D B:HEM201 4.2 32.7 1.0
C3C B:HEM201 4.2 32.4 1.0
C2C B:HEM201 4.2 31.4 1.0
C3A B:HEM201 4.2 30.1 1.0
C2A B:HEM201 4.2 31.9 1.0
C2B B:HEM201 4.3 25.1 1.0
C3B B:HEM201 4.4 27.2 1.0
CG2 B:VAL59 4.4 21.8 1.0
NE2 B:HIS55 4.9 39.3 1.0
CG1 B:VAL59 4.9 22.0 1.0

Reference:

T.Moreno Chicano, A.Ebrahim, J.W.Worrall, D.A.Axford, S.Owada, T.Tosha, H.Sugimoto, R.W.Strange, R.L.Owen, M.A.Hough. Sfx Structure of Dehaloperoxidase B From Amphitrite Ornata in the Oxyferrous Form To Be Published.
Page generated: Fri Nov 5 13:34:59 2021

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