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Iron in PDB 7trt: The Crystal Structure of CYP199A4 Bound to 4-(Furan-2-Yl)Benzoic Acid

Protein crystallography data

The structure of The Crystal Structure of CYP199A4 Bound to 4-(Furan-2-Yl)Benzoic Acid, PDB code: 7trt 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) 44.18 / 1.42
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.205, 51.449, 79.454, 90, 92.12, 90
R / Rfree (%) 14.9 / 17.2

Other elements in 7trt:

The structure of The Crystal Structure of CYP199A4 Bound to 4-(Furan-2-Yl)Benzoic Acid also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Magnesium (Mg) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the The Crystal Structure of CYP199A4 Bound to 4-(Furan-2-Yl)Benzoic Acid (pdb code 7trt). 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 The Crystal Structure of CYP199A4 Bound to 4-(Furan-2-Yl)Benzoic Acid, PDB code: 7trt:

Iron binding site 1 out of 1 in 7trt

Go back to Iron Binding Sites List in 7trt
Iron binding site 1 out of 1 in the The Crystal Structure of CYP199A4 Bound to 4-(Furan-2-Yl)Benzoic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of CYP199A4 Bound to 4-(Furan-2-Yl)Benzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:8.8
occ:1.00
FE A:HEM501 0.0 8.8 1.0
NC A:HEM501 2.0 7.3 1.0
NA A:HEM501 2.0 6.6 1.0
NB A:HEM501 2.0 6.5 1.0
ND A:HEM501 2.0 7.3 1.0
O A:HOH848 2.2 10.5 0.8
SG A:CYS358 2.3 9.9 1.0
C4B A:HEM501 3.0 8.8 1.0
C1C A:HEM501 3.0 8.8 1.0
C4D A:HEM501 3.0 9.2 1.0
C4C A:HEM501 3.1 7.1 1.0
C4A A:HEM501 3.1 6.9 1.0
C1B A:HEM501 3.1 7.0 1.0
C1D A:HEM501 3.1 7.7 1.0
C1A A:HEM501 3.1 7.9 1.0
CB A:CYS358 3.3 9.9 1.0
CHC A:HEM501 3.4 8.7 1.0
CHD A:HEM501 3.4 7.5 1.0
CHB A:HEM501 3.4 6.4 1.0
CHA A:HEM501 3.5 9.1 1.0
CA A:CYS358 4.1 8.3 1.0
C2C A:HEM501 4.2 7.8 1.0
C3B A:HEM501 4.2 7.8 1.0
C3C A:HEM501 4.2 6.9 1.0
C2B A:HEM501 4.3 7.6 1.0
C2D A:HEM501 4.3 7.9 1.0
C3D A:HEM501 4.3 8.6 1.0
C3A A:HEM501 4.3 7.1 1.0
O12 A:KQF502 4.3 11.2 0.9
C2A A:HEM501 4.3 8.3 1.0
O A:ALA248 4.3 12.9 1.0
H111 A:KQF502 4.5 13.4 0.9
C A:CYS358 4.8 9.1 1.0
H131 A:KQF502 4.8 8.7 0.9
CB A:ALA248 4.8 12.9 1.0
C11 A:KQF502 4.8 11.1 0.9
N A:GLY360 4.8 9.3 1.0
N A:VAL359 4.9 9.1 1.0

Reference:

M.N.Podgorski, S.G.Bell. The Crystal Structure of CYP199A4 Bound to 4-(Furan-2-Yl)Benzoic Acid To Be Published.
Page generated: Fri Aug 9 02:19:28 2024

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