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Iron in PDB 6rq1: CYP121 in Complex with 2-Methyl Dicyclotyrosine

Enzymatic activity of CYP121 in Complex with 2-Methyl Dicyclotyrosine

All present enzymatic activity of CYP121 in Complex with 2-Methyl Dicyclotyrosine:
1.14.19.70;

Protein crystallography data

The structure of CYP121 in Complex with 2-Methyl Dicyclotyrosine, PDB code: 6rq1 was solved by H.Poddar, C.Levy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.00 / 1.49
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 77.800, 77.800, 263.720, 90.00, 90.00, 120.00
R / Rfree (%) 17.2 / 19.6

Iron Binding Sites:

The binding sites of Iron atom in the CYP121 in Complex with 2-Methyl Dicyclotyrosine (pdb code 6rq1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the CYP121 in Complex with 2-Methyl Dicyclotyrosine, PDB code: 6rq1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 6rq1

Go back to Iron Binding Sites List in 6rq1
Iron binding site 1 out of 2 in the CYP121 in Complex with 2-Methyl Dicyclotyrosine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of CYP121 in Complex with 2-Methyl Dicyclotyrosine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:11.2
occ:0.62
FE A:HEM402 0.0 11.2 0.6
FE A:HEM402 0.0 12.2 0.4
ND A:HEM402 1.9 10.9 0.6
ND A:HEM402 1.9 11.5 0.4
NA A:HEM402 2.0 11.1 0.4
NA A:HEM402 2.0 11.6 0.6
NB A:HEM402 2.1 11.3 0.4
NC A:HEM402 2.1 11.7 0.6
NC A:HEM402 2.1 11.0 0.4
NB A:HEM402 2.1 10.6 0.6
SG A:CYS345 2.4 13.3 1.0
O A:HOH633 2.4 18.5 1.0
C4D A:HEM402 2.9 11.4 0.6
C1D A:HEM402 2.9 13.1 0.6
C4D A:HEM402 2.9 10.6 0.4
C1D A:HEM402 3.0 9.4 0.4
C1A A:HEM402 3.0 11.6 0.4
C4C A:HEM402 3.0 13.5 0.6
C1B A:HEM402 3.0 13.7 0.4
C1A A:HEM402 3.0 10.5 0.6
C4A A:HEM402 3.0 13.1 0.4
C4B A:HEM402 3.0 11.0 0.4
C4C A:HEM402 3.0 10.9 0.4
C4B A:HEM402 3.0 10.4 0.6
C4A A:HEM402 3.1 9.1 0.6
C1B A:HEM402 3.1 11.3 0.6
C1C A:HEM402 3.1 11.0 0.6
C1C A:HEM402 3.1 10.6 0.4
CHD A:HEM402 3.4 12.4 0.6
CHA A:HEM402 3.4 11.7 0.4
CHA A:HEM402 3.4 11.9 0.6
CB A:CYS345 3.4 15.6 1.0
CHD A:HEM402 3.4 11.1 0.4
CHB A:HEM402 3.4 12.4 0.4
CHB A:HEM402 3.5 11.0 0.6
CHC A:HEM402 3.5 12.0 0.6
CHC A:HEM402 3.5 11.9 0.4
C2D A:HEM402 4.2 15.1 0.6
C2A A:HEM402 4.2 13.9 0.4
C3C A:HEM402 4.2 12.7 0.6
C3D A:HEM402 4.2 14.0 0.6
CA A:CYS345 4.2 10.8 1.0
C3A A:HEM402 4.2 15.2 0.4
C3D A:HEM402 4.2 12.2 0.4
C2D A:HEM402 4.2 11.7 0.4
C2A A:HEM402 4.2 12.2 0.6
C2B A:HEM402 4.2 12.0 0.4
C2C A:HEM402 4.2 13.8 0.6
C3A A:HEM402 4.2 11.8 0.6
C3C A:HEM402 4.2 12.8 0.4
C3B A:HEM402 4.2 14.2 0.4
C2B A:HEM402 4.3 12.9 0.6
C3B A:HEM402 4.3 10.3 0.6
C2C A:HEM402 4.3 10.5 0.4
OG A:SER237 4.5 12.7 1.0
CD A:PRO346 4.8 11.8 1.0
CB A:SER237 4.8 11.5 1.0
C A:CYS345 4.9 12.0 1.0
N A:GLY347 5.0 12.3 1.0

Iron binding site 2 out of 2 in 6rq1

Go back to Iron Binding Sites List in 6rq1
Iron binding site 2 out of 2 in the CYP121 in Complex with 2-Methyl Dicyclotyrosine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of CYP121 in Complex with 2-Methyl Dicyclotyrosine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:12.2
occ:0.38
FE A:HEM402 0.0 12.2 0.4
FE A:HEM402 0.0 11.2 0.6
ND A:HEM402 1.9 11.5 0.4
ND A:HEM402 1.9 10.9 0.6
NA A:HEM402 2.0 11.1 0.4
NA A:HEM402 2.0 11.6 0.6
NB A:HEM402 2.1 11.3 0.4
NC A:HEM402 2.1 11.0 0.4
NC A:HEM402 2.1 11.7 0.6
NB A:HEM402 2.1 10.6 0.6
O A:HOH633 2.4 18.5 1.0
SG A:CYS345 2.4 13.3 1.0
C4D A:HEM402 2.9 11.4 0.6
C4D A:HEM402 2.9 10.6 0.4
C1D A:HEM402 2.9 13.1 0.6
C1D A:HEM402 2.9 9.4 0.4
C1A A:HEM402 3.0 11.6 0.4
C1A A:HEM402 3.0 10.5 0.6
C4C A:HEM402 3.0 13.5 0.6
C4C A:HEM402 3.0 10.9 0.4
C1B A:HEM402 3.0 13.7 0.4
C4A A:HEM402 3.0 13.1 0.4
C4B A:HEM402 3.0 10.4 0.6
C4A A:HEM402 3.0 9.1 0.6
C4B A:HEM402 3.0 11.0 0.4
C1B A:HEM402 3.0 11.3 0.6
C1C A:HEM402 3.1 11.0 0.6
C1C A:HEM402 3.1 10.6 0.4
CHA A:HEM402 3.4 11.7 0.4
CHD A:HEM402 3.4 12.4 0.6
CHA A:HEM402 3.4 11.9 0.6
CHD A:HEM402 3.4 11.1 0.4
CB A:CYS345 3.4 15.6 1.0
CHB A:HEM402 3.4 12.4 0.4
CHB A:HEM402 3.4 11.0 0.6
CHC A:HEM402 3.5 12.0 0.6
CHC A:HEM402 3.5 11.9 0.4
C2A A:HEM402 4.2 13.9 0.4
C2D A:HEM402 4.2 15.1 0.6
C3D A:HEM402 4.2 14.0 0.6
C3C A:HEM402 4.2 12.7 0.6
C2D A:HEM402 4.2 11.7 0.4
C3D A:HEM402 4.2 12.2 0.4
C3A A:HEM402 4.2 15.2 0.4
CA A:CYS345 4.2 10.8 1.0
C2A A:HEM402 4.2 12.2 0.6
C3A A:HEM402 4.2 11.8 0.6
C3C A:HEM402 4.2 12.8 0.4
C2B A:HEM402 4.2 12.0 0.4
C2C A:HEM402 4.2 13.8 0.6
C2B A:HEM402 4.3 12.9 0.6
C3B A:HEM402 4.3 14.2 0.4
C3B A:HEM402 4.3 10.3 0.6
C2C A:HEM402 4.3 10.5 0.4
OG A:SER237 4.5 12.7 1.0
CD A:PRO346 4.8 11.8 1.0
CB A:SER237 4.8 11.5 1.0
C A:CYS345 4.9 12.0 1.0
N A:GLY347 5.0 12.3 1.0

Reference:

K.Mclean, H.Poddar, C.Levy. N/A N/A.
Page generated: Wed Aug 7 08:58:13 2024

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