Iron in PDB 6tue: Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop

Enzymatic activity of Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop

All present enzymatic activity of Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop:
1.13.11.52;

Protein crystallography data

The structure of Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop, PDB code: 6tue was solved by M.Mirgaux, J.Wouters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.19 / 2.61
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.960, 117.950, 216.470, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 27.7

Other elements in 6tue:

The structure of Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop also contains other interesting chemical elements:

Potassium (K) 1 atom
Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop (pdb code 6tue). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop, PDB code: 6tue:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 6tue

Go back to Iron Binding Sites List in 6tue
Iron binding site 1 out of 4 in the Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:52.0
occ:1.00
FE A:HEM502 0.0 52.0 1.0
NB A:HEM502 2.0 48.9 1.0
NA A:HEM502 2.0 52.1 1.0
NC A:HEM502 2.0 48.6 1.0
ND A:HEM502 2.1 50.5 1.0
NE2 A:HIS346 2.5 44.0 1.0
C4A A:HEM502 2.9 52.2 1.0
C1B A:HEM502 2.9 47.2 1.0
C4C A:HEM502 3.0 48.4 1.0
C1A A:HEM502 3.0 53.8 1.0
C1C A:HEM502 3.0 45.6 1.0
C4B A:HEM502 3.0 44.0 1.0
C1D A:HEM502 3.1 48.1 1.0
C4D A:HEM502 3.1 49.9 1.0
CHB A:HEM502 3.3 51.8 1.0
CB A:ALA264 3.3 46.4 1.0
CD2 A:HIS346 3.4 44.3 1.0
CHD A:HEM502 3.4 47.8 1.0
CHC A:HEM502 3.4 42.6 1.0
CHA A:HEM502 3.5 51.6 1.0
CE1 A:HIS346 3.5 44.3 1.0
C A:ALA264 4.0 54.4 1.0
C3A A:HEM502 4.1 56.0 1.0
C2A A:HEM502 4.2 57.3 1.0
N A:GLY265 4.2 48.9 1.0
C2B A:HEM502 4.2 41.8 1.0
C2C A:HEM502 4.2 44.2 1.0
CA A:ALA264 4.2 51.3 1.0
C3C A:HEM502 4.2 48.5 1.0
C3B A:HEM502 4.2 41.9 1.0
C2D A:HEM502 4.3 47.6 1.0
C3D A:HEM502 4.3 47.5 1.0
O A:HOH635 4.3 40.9 1.0
O A:ALA264 4.5 50.2 1.0
CG A:HIS346 4.6 43.3 1.0
ND1 A:HIS346 4.6 45.4 1.0
CA A:GLY265 4.7 48.2 1.0
N A:ALA264 4.7 58.1 1.0

Iron binding site 2 out of 4 in 6tue

Go back to Iron Binding Sites List in 6tue
Iron binding site 2 out of 4 in the Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe503

b:53.8
occ:1.00
FE B:HEM503 0.0 53.8 1.0
NA B:HEM503 1.9 58.4 1.0
NB B:HEM503 1.9 53.6 1.0
NC B:HEM503 2.0 54.9 1.0
ND B:HEM503 2.1 57.1 1.0
NE2 B:HIS346 2.4 54.4 1.0
C4A B:HEM503 2.9 60.6 1.0
C1B B:HEM503 2.9 51.8 1.0
C4C B:HEM503 3.0 53.4 1.0
C4B B:HEM503 3.0 48.1 1.0
C1A B:HEM503 3.0 60.2 1.0
C1C B:HEM503 3.0 54.0 1.0
C1D B:HEM503 3.0 54.8 1.0
CB B:ALA264 3.1 47.0 1.0
C4D B:HEM503 3.1 60.8 1.0
CD2 B:HIS346 3.2 51.9 1.0
CHB B:HEM503 3.2 57.4 1.0
CHD B:HEM503 3.4 53.7 1.0
CHC B:HEM503 3.4 48.2 1.0
CHA B:HEM503 3.4 60.9 1.0
CE1 B:HIS346 3.5 55.4 1.0
C B:ALA264 4.0 55.1 1.0
N B:GLY265 4.0 52.0 1.0
CA B:ALA264 4.1 50.6 1.0
C3A B:HEM503 4.1 66.0 1.0
C2B B:HEM503 4.1 46.3 1.0
C3B B:HEM503 4.2 46.0 1.0
C2A B:HEM503 4.2 66.7 1.0
C3C B:HEM503 4.2 48.8 1.0
C2C B:HEM503 4.2 47.0 1.0
C2D B:HEM503 4.3 56.0 1.0
C3D B:HEM503 4.3 59.5 1.0
CG B:HIS346 4.4 52.4 1.0
O B:ALA264 4.5 54.7 1.0
ND1 B:HIS346 4.5 54.4 1.0
CA B:GLY265 4.6 56.3 1.0
N B:ALA264 4.8 53.6 1.0

Iron binding site 3 out of 4 in 6tue

Go back to Iron Binding Sites List in 6tue
Iron binding site 3 out of 4 in the Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe505

b:64.2
occ:1.00
FE C:HEM505 0.0 64.2 1.0
NB C:HEM505 1.9 57.8 1.0
ND C:HEM505 2.0 64.3 1.0
NC C:HEM505 2.0 54.7 1.0
NA C:HEM505 2.0 67.4 1.0
NE2 C:HIS346 2.6 65.4 1.0
C1B C:HEM505 2.9 59.8 1.0
C4B C:HEM505 3.0 50.8 1.0
C1D C:HEM505 3.0 59.2 1.0
C4C C:HEM505 3.0 56.4 1.0
C4A C:HEM505 3.0 67.4 1.0
C1C C:HEM505 3.1 47.4 1.0
C4D C:HEM505 3.1 66.7 1.0
C1A C:HEM505 3.1 69.6 1.0
CD2 C:HIS346 3.2 60.0 1.0
CHB C:HEM505 3.3 62.4 1.0
CHD C:HEM505 3.3 58.5 1.0
CHC C:HEM505 3.4 48.1 1.0
CHA C:HEM505 3.5 68.6 1.0
CB C:ALA264 3.8 57.5 1.0
CE1 C:HIS346 3.8 65.1 1.0
O C:HOH621 4.0 48.1 1.0
C2B C:HEM505 4.1 58.1 1.0
C3B C:HEM505 4.2 54.3 1.0
C2D C:HEM505 4.2 59.3 1.0
C3C C:HEM505 4.2 49.8 1.0
C3A C:HEM505 4.2 73.4 1.0
C3D C:HEM505 4.3 62.8 1.0
C2C C:HEM505 4.3 47.4 1.0
C2A C:HEM505 4.3 75.9 1.0
N C:GLY265 4.3 57.1 1.0
C C:ALA264 4.3 55.4 1.0
CG C:HIS346 4.5 61.8 1.0
CA C:ALA264 4.5 53.6 1.0
O C:ALA264 4.7 54.5 1.0
ND1 C:HIS346 4.7 68.0 1.0
CA C:GLY265 4.8 57.2 1.0
N C:ALA264 4.9 52.3 1.0

Iron binding site 4 out of 4 in 6tue

Go back to Iron Binding Sites List in 6tue
Iron binding site 4 out of 4 in the Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe504

b:61.7
occ:1.00
FE D:HEM504 0.0 61.7 1.0
NB D:HEM504 1.9 54.3 1.0
ND D:HEM504 2.0 64.6 1.0
NC D:HEM504 2.0 57.1 1.0
NA D:HEM504 2.1 63.5 1.0
NE2 D:HIS346 2.5 57.5 1.0
C1B D:HEM504 2.9 51.0 1.0
C4A D:HEM504 2.9 62.1 1.0
C1D D:HEM504 3.0 62.1 1.0
C4B D:HEM504 3.0 50.9 1.0
C4C D:HEM504 3.0 57.1 1.0
C1C D:HEM504 3.1 49.8 1.0
C4D D:HEM504 3.1 65.2 1.0
C1A D:HEM504 3.1 65.6 1.0
CD2 D:HIS346 3.1 55.5 1.0
CHB D:HEM504 3.3 54.9 1.0
CHD D:HEM504 3.4 57.0 1.0
CB D:ALA264 3.4 56.6 1.0
CHC D:HEM504 3.4 46.1 1.0
CHA D:HEM504 3.5 65.0 1.0
CE1 D:HIS346 3.6 64.1 1.0
C D:ALA264 4.1 54.2 1.0
C2B D:HEM504 4.1 52.0 1.0
C3A D:HEM504 4.1 66.6 1.0
C3B D:HEM504 4.2 51.6 1.0
C2D D:HEM504 4.2 57.3 1.0
C2A D:HEM504 4.2 67.3 1.0
O D:ALA264 4.2 52.7 1.0
C3C D:HEM504 4.3 53.1 1.0
C3D D:HEM504 4.3 62.0 1.0
C2C D:HEM504 4.3 50.8 1.0
N D:GLY265 4.3 53.1 1.0
CA D:ALA264 4.4 57.7 1.0
CG D:HIS346 4.4 56.5 1.0
O D:HOH641 4.5 49.4 1.0
CG1 D:VAL350 4.5 57.5 1.0
CA D:GLY265 4.6 53.1 1.0
ND1 D:HIS346 4.6 62.8 1.0

Reference:

M.Mirgaux, J.Wouters. Structure of Human Indoleamine-2,3-Dioxygenase 1 (Hido) with A Complete Jk Loop To Be Published.
Page generated: Sun Dec 13 17:12:34 2020

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