Iron in PDB 7kqt: A 1.84-A Resolution Crystal Structure of Heme-Dependent L-Tyrosine Hydroxylase in Complex with 3-Fluoro-L-Tyrosine and Cyanide

Protein crystallography data

The structure of A 1.84-A Resolution Crystal Structure of Heme-Dependent L-Tyrosine Hydroxylase in Complex with 3-Fluoro-L-Tyrosine and Cyanide, PDB code: 7kqt was solved by Y.Wang, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.27 / 1.84
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.375, 129.446, 48.401, 90, 94.29, 90
R / Rfree (%) 20.3 / 25

Other elements in 7kqt:

The structure of A 1.84-A Resolution Crystal Structure of Heme-Dependent L-Tyrosine Hydroxylase in Complex with 3-Fluoro-L-Tyrosine and Cyanide also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the A 1.84-A Resolution Crystal Structure of Heme-Dependent L-Tyrosine Hydroxylase in Complex with 3-Fluoro-L-Tyrosine and Cyanide (pdb code 7kqt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the A 1.84-A Resolution Crystal Structure of Heme-Dependent L-Tyrosine Hydroxylase in Complex with 3-Fluoro-L-Tyrosine and Cyanide, PDB code: 7kqt:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 7kqt

Go back to Iron Binding Sites List in 7kqt
Iron binding site 1 out of 2 in the A 1.84-A Resolution Crystal Structure of Heme-Dependent L-Tyrosine Hydroxylase in Complex with 3-Fluoro-L-Tyrosine and Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A 1.84-A Resolution Crystal Structure of Heme-Dependent L-Tyrosine Hydroxylase in Complex with 3-Fluoro-L-Tyrosine and Cyanide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:41.6
occ:1.00
FE A:HEM401 0.0 41.6 1.0
C A:CYN403 2.0 50.2 1.0
NB A:HEM401 2.0 28.6 1.0
NC A:HEM401 2.0 36.4 1.0
NA A:HEM401 2.1 34.8 1.0
ND A:HEM401 2.1 39.4 1.0
NE2 A:HIS196 2.5 57.5 1.0
C1C A:HEM401 3.0 34.0 1.0
C4B A:HEM401 3.0 32.5 1.0
C1A A:HEM401 3.1 44.4 1.0
C4D A:HEM401 3.1 50.4 1.0
N A:CYN403 3.1 46.4 1.0
C1B A:HEM401 3.1 33.5 1.0
C4A A:HEM401 3.1 30.6 1.0
C4C A:HEM401 3.1 30.2 1.0
C1D A:HEM401 3.2 41.5 1.0
CE1 A:HIS196 3.2 54.4 1.0
CHC A:HEM401 3.3 29.9 1.0
CHA A:HEM401 3.5 47.9 1.0
CHB A:HEM401 3.5 40.3 1.0
CD2 A:HIS196 3.6 58.6 1.0
CHD A:HEM401 3.6 37.0 1.0
C3B A:HEM401 4.2 30.2 1.0
C2C A:HEM401 4.2 35.2 1.0
C2B A:HEM401 4.3 32.3 1.0
C2A A:HEM401 4.3 42.6 1.0
C3C A:HEM401 4.3 33.9 1.0
C3D A:HEM401 4.3 51.1 1.0
C3A A:HEM401 4.3 34.2 1.0
C2D A:HEM401 4.3 50.0 1.0
ND1 A:HIS196 4.4 49.8 1.0
CG A:HIS196 4.6 52.8 1.0
N A:YOF402 5.0 26.3 0.7

Iron binding site 2 out of 2 in 7kqt

Go back to Iron Binding Sites List in 7kqt
Iron binding site 2 out of 2 in the A 1.84-A Resolution Crystal Structure of Heme-Dependent L-Tyrosine Hydroxylase in Complex with 3-Fluoro-L-Tyrosine and Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of A 1.84-A Resolution Crystal Structure of Heme-Dependent L-Tyrosine Hydroxylase in Complex with 3-Fluoro-L-Tyrosine and Cyanide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:36.2
occ:1.00
FE B:HEM401 0.0 36.2 1.0
C B:CYN403 1.9 36.9 1.0
NB B:HEM401 2.0 25.1 1.0
ND B:HEM401 2.1 34.4 1.0
NA B:HEM401 2.1 26.9 1.0
NC B:HEM401 2.1 35.4 1.0
NE2 B:HIS196 2.5 47.7 1.0
N B:CYN403 3.0 36.5 1.0
C4B B:HEM401 3.0 31.6 1.0
C1C B:HEM401 3.0 41.8 1.0
C4D B:HEM401 3.1 37.6 1.0
C1D B:HEM401 3.1 34.4 1.0
C1A B:HEM401 3.1 39.2 1.0
C1B B:HEM401 3.1 32.1 1.0
C4C B:HEM401 3.1 37.9 1.0
C4A B:HEM401 3.1 28.3 1.0
CE1 B:HIS196 3.2 45.1 1.0
CHC B:HEM401 3.4 31.4 1.0
CHA B:HEM401 3.5 37.9 1.0
CHD B:HEM401 3.5 35.6 1.0
CHB B:HEM401 3.6 27.8 1.0
CD2 B:HIS196 3.6 44.1 1.0
C2C B:HEM401 4.2 46.5 1.0
C3B B:HEM401 4.3 33.5 1.0
C3D B:HEM401 4.3 40.9 1.0
C2D B:HEM401 4.3 37.6 1.0
C3C B:HEM401 4.3 43.9 1.0
C2B B:HEM401 4.3 30.7 1.0
C2A B:HEM401 4.3 40.0 1.0
C3A B:HEM401 4.3 31.9 1.0
ND1 B:HIS196 4.4 41.7 1.0
CG B:HIS196 4.6 37.4 1.0

Reference:

Y.Wang, I.Davis, I.Shin, H.Xu, A.Liu. Molecular Rationale For Partitioning Between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase. J.Am.Chem.Soc. 2021.
ISSN: ESSN 1520-5126
PubMed: 33734681
DOI: 10.1021/JACS.1C00175
Page generated: Sat Apr 3 15:56:39 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy