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Iron in PDB 3s2q: The Crystal Structure of AT5G51720 (at-Neet)

Protein crystallography data

The structure of The Crystal Structure of AT5G51720 (at-Neet), PDB code: 3s2q was solved by O.Livnah, Y.Eisenberg-Domovich, R.Nechushtai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.55 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.548, 60.090, 66.383, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 22.7

Other elements in 3s2q:

The structure of The Crystal Structure of AT5G51720 (at-Neet) also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the The Crystal Structure of AT5G51720 (at-Neet) (pdb code 3s2q). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the The Crystal Structure of AT5G51720 (at-Neet), PDB code: 3s2q:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3s2q

Go back to Iron Binding Sites List in 3s2q
Iron binding site 1 out of 4 in the The Crystal Structure of AT5G51720 (at-Neet)


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 AT5G51720 (at-Neet) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:25.7
occ:1.00
FE1 A:FES500 0.0 25.7 1.0
S2 A:FES500 2.2 23.7 1.0
S1 A:FES500 2.2 25.4 1.0
SG A:CYS76 2.3 24.2 1.0
SG A:CYS74 2.4 23.7 1.0
FE2 A:FES500 2.7 24.8 1.0
CB A:CYS74 3.3 22.6 1.0
CB A:CYS76 3.4 22.2 1.0
N A:CYS76 3.5 22.4 1.0
CA A:CYS74 3.7 22.0 1.0
CA A:CYS76 3.9 22.7 1.0
N A:ARG75 3.9 21.9 1.0
CB A:HIS89 4.1 24.6 1.0
ND1 A:HIS89 4.3 24.5 1.0
C A:CYS74 4.3 22.4 1.0
N A:HIS89 4.3 25.1 1.0
N A:SER79 4.3 25.8 1.0
CB A:SER79 4.3 26.4 1.0
N A:TRP77 4.3 23.6 1.0
C A:CYS76 4.4 23.0 1.0
N A:ARG78 4.5 24.4 1.0
CA A:HIS89 4.6 24.9 1.0
SG A:CYS85 4.6 26.3 1.0
C A:ARG75 4.7 22.1 1.0
CG A:HIS89 4.7 24.3 1.0
CA A:SER79 4.8 26.9 1.0
CB A:CYS85 4.8 25.9 1.0
CA A:CYS85 4.8 26.6 1.0
CA A:ARG75 4.9 21.8 1.0

Iron binding site 2 out of 4 in 3s2q

Go back to Iron Binding Sites List in 3s2q
Iron binding site 2 out of 4 in the The Crystal Structure of AT5G51720 (at-Neet)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of AT5G51720 (at-Neet) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:24.8
occ:1.00
FE2 A:FES500 0.0 24.8 1.0
ND1 A:HIS89 2.1 24.5 1.0
S2 A:FES500 2.2 23.7 1.0
S1 A:FES500 2.2 25.4 1.0
SG A:CYS85 2.3 26.3 1.0
FE1 A:FES500 2.7 25.7 1.0
CE1 A:HIS89 3.0 25.1 1.0
CG A:HIS89 3.1 24.3 1.0
CB A:CYS85 3.3 25.9 1.0
CB A:HIS89 3.6 24.6 1.0
CA A:CYS85 3.9 26.6 1.0
N A:HIS89 3.9 25.1 1.0
N A:GLY87 4.0 27.3 1.0
NE2 A:HIS89 4.1 25.6 1.0
CD2 A:HIS89 4.2 25.7 1.0
CA A:GLY87 4.3 27.1 1.0
N A:ASP86 4.3 27.8 1.0
CB A:PRO102 4.4 23.4 1.0
CA A:HIS89 4.4 24.9 1.0
N A:SER88 4.4 25.9 1.0
CD A:PRO102 4.5 23.2 1.0
SG A:CYS76 4.5 24.2 1.0
C A:CYS85 4.5 27.3 1.0
C A:GLY87 4.6 26.5 1.0
CA A:CYS74 4.6 22.0 1.0
SG A:CYS74 4.6 23.7 1.0
CB A:CYS74 4.7 22.6 1.0
N A:PRO102 4.7 23.1 1.0
CG A:PRO102 4.8 22.3 1.0
CA A:PRO102 4.9 22.9 1.0

Iron binding site 3 out of 4 in 3s2q

Go back to Iron Binding Sites List in 3s2q
Iron binding site 3 out of 4 in the The Crystal Structure of AT5G51720 (at-Neet)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Crystal Structure of AT5G51720 (at-Neet) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:22.4
occ:1.00
FE1 B:FES500 0.0 22.4 1.0
S1 B:FES500 2.2 22.4 1.0
S2 B:FES500 2.2 22.9 1.0
SG B:CYS74 2.4 21.0 1.0
SG B:CYS76 2.4 21.8 1.0
FE2 B:FES500 2.7 23.3 1.0
CB B:CYS76 3.4 21.5 1.0
CB B:CYS74 3.4 20.5 1.0
N B:CYS76 3.6 22.0 1.0
CA B:CYS74 3.7 20.6 1.0
N B:ARG75 3.9 21.2 1.0
CA B:CYS76 4.0 21.9 1.0
CB B:HIS89 4.1 23.7 1.0
ND1 B:HIS89 4.2 22.3 1.0
C B:CYS74 4.2 21.0 1.0
N B:HIS89 4.2 24.3 1.0
N B:SER79 4.3 22.2 1.0
CB B:SER79 4.3 22.3 1.0
N B:TRP77 4.4 21.1 1.0
C B:CYS76 4.5 21.9 1.0
CA B:HIS89 4.6 24.2 1.0
N B:ARG78 4.6 21.4 1.0
CG B:HIS89 4.6 23.9 1.0
SG B:CYS85 4.7 23.3 1.0
C B:ARG75 4.7 22.3 1.0
CA B:CYS85 4.8 22.0 1.0
CB B:CYS85 4.8 21.8 1.0
CA B:SER79 4.8 22.6 1.0
CA B:ARG75 5.0 21.5 1.0
N B:CYS74 5.0 21.4 1.0

Iron binding site 4 out of 4 in 3s2q

Go back to Iron Binding Sites List in 3s2q
Iron binding site 4 out of 4 in the The Crystal Structure of AT5G51720 (at-Neet)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Crystal Structure of AT5G51720 (at-Neet) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:23.3
occ:1.00
FE2 B:FES500 0.0 23.3 1.0
ND1 B:HIS89 2.1 22.3 1.0
S2 B:FES500 2.2 22.9 1.0
S1 B:FES500 2.2 22.4 1.0
SG B:CYS85 2.4 23.3 1.0
FE1 B:FES500 2.7 22.4 1.0
CE1 B:HIS89 3.0 24.6 1.0
CG B:HIS89 3.2 23.9 1.0
CB B:CYS85 3.3 21.8 1.0
CB B:HIS89 3.6 23.7 1.0
CA B:CYS85 3.9 22.0 1.0
N B:HIS89 3.9 24.3 1.0
N B:GLY87 3.9 23.7 1.0
NE2 B:HIS89 4.1 25.8 1.0
CD2 B:HIS89 4.2 24.3 1.0
CA B:GLY87 4.3 24.4 1.0
CB B:PRO102 4.3 21.5 1.0
N B:ASP86 4.3 22.5 1.0
CD B:PRO102 4.4 22.1 1.0
N B:SER88 4.4 24.4 1.0
CA B:HIS89 4.4 24.2 1.0
C B:CYS85 4.4 22.7 1.0
SG B:CYS76 4.5 21.8 1.0
CG B:PRO102 4.5 21.0 1.0
C B:GLY87 4.6 24.8 1.0
CA B:CYS74 4.6 20.6 1.0
SG B:CYS74 4.6 21.0 1.0
N B:PRO102 4.7 21.9 1.0
CB B:CYS74 4.8 20.5 1.0
CA B:PRO102 4.9 21.0 1.0

Reference:

R.Nechushtai, A.R.Conlan, L.Song, Y.Harir, O.Yogev, Y.Eisenberg-Domovich, O.Livnah, D.Michaeli, R.Rosen, V.Ma, L.Yuting, J.A.Zuris, V.Shulaev, M.L.Paddock, Z.Y.Cabantchik, P.A.Jennings, R.Mittler. Arabidopsis Thaliana Chloroneet, A Member of the New Neet Family of Human Proteins, Is Involved in Development, Senescence and Iron Metabolism. To Be Published.
Page generated: Sun Dec 13 15:20:45 2020

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