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Iron in PDB 7r8t: High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid

Protein crystallography data

The structure of High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid, PDB code: 7r8t was solved by M.N.Podgorski, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.24 / 1.37
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.27, 51.4, 79.197, 90, 91.95, 90
R / Rfree (%) 15.3 / 18

Other elements in 7r8t:

The structure of High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid (pdb code 7r8t). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid, PDB code: 7r8t:

Iron binding site 1 out of 1 in 7r8t

Go back to Iron Binding Sites List in 7r8t
Iron binding site 1 out of 1 in the High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:10.7
occ:1.00
FE A:HEM501 0.0 10.7 1.0
NC A:HEM501 2.0 8.9 1.0
NA A:HEM501 2.0 10.2 1.0
NB A:HEM501 2.1 9.3 1.0
ND A:HEM501 2.1 10.2 1.0
SG A:CYS358 2.4 10.8 1.0
C4B A:HEM501 3.0 9.7 1.0
C1C A:HEM501 3.1 10.0 1.0
C4C A:HEM501 3.1 9.3 1.0
C4A A:HEM501 3.1 8.8 1.0
C1A A:HEM501 3.1 9.9 1.0
C4D A:HEM501 3.1 9.6 1.0
C1D A:HEM501 3.1 11.3 1.0
C1B A:HEM501 3.1 9.5 1.0
CB A:CYS358 3.3 8.9 1.0
CHC A:HEM501 3.4 10.1 1.0
CHA A:HEM501 3.4 9.9 1.0
CHD A:HEM501 3.5 10.6 1.0
CHB A:HEM501 3.5 10.5 1.0
C9 A:EGM502 3.6 13.4 0.9
CA A:CYS358 3.9 10.5 1.0
C3B A:HEM501 4.3 10.5 1.0
C2C A:HEM501 4.3 9.9 1.0
C3C A:HEM501 4.3 10.7 1.0
C2A A:HEM501 4.3 9.9 1.0
C3A A:HEM501 4.3 11.2 1.0
C3D A:HEM501 4.3 11.6 1.0
C2D A:HEM501 4.3 9.3 1.0
C2B A:HEM501 4.3 10.3 1.0
C A:CYS358 4.6 11.0 1.0
N A:GLY360 4.7 12.1 1.0
N A:VAL359 4.8 11.2 1.0
C8 A:EGM502 4.8 12.1 0.9
CB A:ALA248 4.9 12.2 1.0
CD1 A:PHE351 5.0 12.3 1.0

Reference:

M.N.Podgorski, S.G.Bell. High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid To Be Published.
Page generated: Thu Aug 8 23:38:31 2024

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