Atomistry » Iron » PDB 8csq-8djr » 8d94
Atomistry »
  Iron »
    PDB 8csq-8djr »
      8d94 »

Iron in PDB 8d94: SAMHD1-Dna Complex

Protein crystallography data

The structure of SAMHD1-Dna Complex, PDB code: 8d94 was solved by T.J.Hollis, S.M.Batalis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.98 / 2.44
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 75.116, 179.936, 79.792, 90, 108.95, 90
R / Rfree (%) 19 / 24.3

Other elements in 8d94:

The structure of SAMHD1-Dna Complex also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the SAMHD1-Dna Complex (pdb code 8d94). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the SAMHD1-Dna Complex, PDB code: 8d94:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 8d94

Go back to Iron Binding Sites List in 8d94
Iron binding site 1 out of 4 in the SAMHD1-Dna Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of SAMHD1-Dna Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:33.0
occ:1.00
NE2 A:HIS167 2.1 24.2 1.0
NE2 A:HIS206 2.3 25.3 1.0
OD2 A:ASP207 2.4 27.8 1.0
O A:HOH833 2.6 35.1 1.0
OD1 A:ASP311 2.6 45.2 1.0
OD2 A:ASP311 2.7 51.3 1.0
CE1 A:HIS167 2.8 32.2 1.0
CG A:ASP311 3.0 19.9 1.0
CG A:ASP207 3.1 34.1 1.0
CD2 A:HIS206 3.1 27.8 1.0
CD2 A:HIS167 3.3 46.4 1.0
CE1 A:HIS206 3.3 30.0 1.0
OD1 A:ASP207 3.4 31.5 1.0
NH1 A:ARG164 3.7 29.5 1.0
O A:HOH824 3.8 33.2 1.0
CA A:CA702 3.8 63.4 1.0
ND1 A:HIS167 4.0 27.4 1.0
CG A:HIS167 4.2 27.1 1.0
CB A:ASP207 4.3 22.2 1.0
CD2 A:TYR315 4.3 44.7 1.0
CG A:HIS206 4.3 33.6 1.0
ND1 A:HIS206 4.4 38.3 1.0
CB A:ASP311 4.4 35.8 1.0
CE2 A:TYR315 4.5 48.3 1.0
CG2 A:VAL171 4.8 22.4 1.0
O A:HOH835 5.0 35.1 1.0

Iron binding site 2 out of 4 in 8d94

Go back to Iron Binding Sites List in 8d94
Iron binding site 2 out of 4 in the SAMHD1-Dna Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of SAMHD1-Dna Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe701

b:42.6
occ:1.00
OD1 B:ASP311 2.6 49.1 1.0
OD2 B:ASP207 2.6 38.7 1.0
O B:HOH861 2.7 36.2 1.0
NE2 B:HIS206 2.7 45.2 1.0
NE2 B:HIS167 2.7 32.1 1.0
OD2 B:ASP311 3.2 38.8 1.0
CG B:ASP311 3.2 32.1 1.0
CG B:ASP207 3.3 26.8 1.0
O B:HOH846 3.3 34.5 1.0
OD1 B:ASP207 3.3 34.6 1.0
CD2 B:HIS206 3.5 27.3 1.0
CE1 B:HIS167 3.5 47.5 1.0
CD2 B:HIS167 3.6 37.0 1.0
NH1 B:ARG164 3.7 28.4 1.0
CE1 B:HIS206 3.7 39.2 1.0
CA B:CA702 3.7 69.7 1.0
ND1 B:HIS167 4.6 34.9 1.0
CB B:ASP207 4.6 31.0 1.0
CB B:ASP311 4.7 40.4 1.0
CD2 B:TYR315 4.7 43.6 1.0
CG B:HIS206 4.7 37.2 1.0
CG B:HIS167 4.7 32.1 1.0
ND1 B:HIS206 4.7 36.1 1.0
O B:HOH865 4.7 53.8 1.0
CZ B:ARG164 4.9 31.2 1.0

Iron binding site 3 out of 4 in 8d94

Go back to Iron Binding Sites List in 8d94
Iron binding site 3 out of 4 in the SAMHD1-Dna Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of SAMHD1-Dna Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe701

b:42.4
occ:1.00
OD1 C:ASP311 2.6 43.9 1.0
OD2 C:ASP207 2.6 47.5 1.0
O C:HOH901 2.7 46.1 1.0
NE2 C:HIS206 2.7 46.3 1.0
NE2 C:HIS167 2.8 31.5 1.0
O C:HOH868 3.1 45.1 1.0
CA C:CA702 3.2 56.0 1.0
OD2 C:ASP311 3.2 37.0 1.0
CG C:ASP311 3.2 42.3 1.0
OD1 C:ASP207 3.2 29.2 1.0
CG C:ASP207 3.2 35.2 1.0
CD2 C:HIS206 3.4 34.1 1.0
CE1 C:HIS167 3.6 29.6 1.0
NH1 C:ARG164 3.6 30.5 1.0
CE1 C:HIS206 3.8 37.8 1.0
CD2 C:HIS167 3.8 26.6 1.0
CD2 C:TYR315 4.4 46.6 1.0
CE2 C:TYR315 4.4 47.6 1.0
CB C:ASP207 4.7 39.6 1.0
CB C:ASP311 4.7 47.1 1.0
CG C:HIS206 4.7 33.4 1.0
ND1 C:HIS167 4.8 23.0 1.0
ND1 C:HIS206 4.8 39.9 1.0
O C:HOH808 4.9 40.2 1.0
CG C:HIS167 4.9 23.1 1.0
CZ C:ARG164 4.9 39.0 1.0

Iron binding site 4 out of 4 in 8d94

Go back to Iron Binding Sites List in 8d94
Iron binding site 4 out of 4 in the SAMHD1-Dna Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of SAMHD1-Dna Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe701

b:35.7
occ:1.00
OD1 D:ASP311 2.2 43.1 1.0
NE2 D:HIS167 2.3 27.9 1.0
OD2 D:ASP207 2.4 34.2 1.0
NE2 D:HIS206 2.4 28.0 1.0
O D:HOH811 2.9 41.1 1.0
CG D:ASP311 3.1 44.9 1.0
CG D:ASP207 3.1 33.7 1.0
CD2 D:HIS167 3.2 27.4 1.0
CE1 D:HIS167 3.3 33.2 1.0
CD2 D:HIS206 3.3 31.3 1.0
CE1 D:HIS206 3.3 34.4 1.0
OD2 D:ASP311 3.4 44.6 1.0
OD1 D:ASP207 3.4 35.4 1.0
NH1 D:ARG164 3.6 35.9 1.0
CA D:CA702 4.0 80.2 1.0
O D:HOH826 4.1 43.5 1.0
CG D:HIS167 4.3 30.1 1.0
ND1 D:HIS167 4.4 19.9 1.0
CB D:ASP207 4.4 28.5 1.0
ND1 D:HIS206 4.4 46.7 1.0
CG D:HIS206 4.4 33.8 1.0
CD2 D:TYR315 4.4 39.8 1.0
CB D:ASP311 4.4 30.4 1.0
CG2 D:VAL171 4.7 26.1 1.0
CE2 D:TYR315 4.8 35.2 1.0
O D:ASP311 4.9 30.5 1.0
CZ D:ARG164 4.9 37.0 1.0
O D:HOH841 5.0 50.2 1.0

Reference:

T.J.Hollis, S.M.Batalis. SAMHD1-Dna Complex To Be Published.
Page generated: Fri Aug 9 23:23:31 2024

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy