Iron in PDB 6soq: 2 Minute FE2+ Soaked Structure of Synftn Variant E62A

Enzymatic activity of 2 Minute FE2+ Soaked Structure of Synftn Variant E62A

All present enzymatic activity of 2 Minute FE2+ Soaked Structure of Synftn Variant E62A:
1.16.3.2;

Protein crystallography data

The structure of 2 Minute FE2+ Soaked Structure of Synftn Variant E62A, PDB code: 6soq was solved by A.M.Hemmings, J.M.Bradley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.58 / 1.67
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 177.000, 177.000, 177.000, 90.00, 90.00, 90.00
R / Rfree (%) 15.1 / 18.3

Other elements in 6soq:

The structure of 2 Minute FE2+ Soaked Structure of Synftn Variant E62A also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the 2 Minute FE2+ Soaked Structure of Synftn Variant E62A (pdb code 6soq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the 2 Minute FE2+ Soaked Structure of Synftn Variant E62A, PDB code: 6soq:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 6soq

Go back to Iron Binding Sites List in 6soq
Iron binding site 1 out of 3 in the 2 Minute FE2+ Soaked Structure of Synftn Variant E62A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 2 Minute FE2+ Soaked Structure of Synftn Variant E62A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:29.8
occ:0.74
O A:HOH341 2.0 38.4 1.0
OE1 A:GLU33 2.1 31.7 1.0
OE1 A:GLU66 2.1 30.8 1.0
O A:HOH308 2.2 43.8 1.0
ND1 A:HIS69 2.2 32.2 1.0
CD A:GLU66 3.0 31.4 1.0
CD A:GLU33 3.1 31.3 1.0
CE1 A:HIS69 3.2 34.7 1.0
CG A:HIS69 3.3 30.6 1.0
OE2 A:GLU66 3.3 33.9 1.0
FE A:FE202 3.3 27.4 0.5
OE2 A:GLU33 3.4 31.0 1.0
CB A:HIS69 3.6 28.9 1.0
O A:HOH397 4.0 37.3 1.0
CG2 A:THR113 4.1 31.0 1.0
OE1 A:GLN143 4.1 28.9 1.0
O A:HOH462 4.3 49.4 1.0
O A:HOH381 4.3 44.2 1.0
NE2 A:HIS69 4.3 33.9 1.0
CG A:GLU66 4.4 28.1 1.0
CD2 A:HIS69 4.4 32.4 1.0
CG A:GLU33 4.4 28.4 1.0
CA A:GLU66 4.4 24.7 1.0
CB A:GLU66 4.6 25.9 1.0
O A:HOH320 4.7 48.5 1.0
O A:HOH422 4.7 36.2 1.0
CB A:GLU33 4.7 26.7 1.0
O A:GLU66 4.9 25.5 1.0

Iron binding site 2 out of 3 in 6soq

Go back to Iron Binding Sites List in 6soq
Iron binding site 2 out of 3 in the 2 Minute FE2+ Soaked Structure of Synftn Variant E62A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 2 Minute FE2+ Soaked Structure of Synftn Variant E62A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe202

b:27.4
occ:0.51
O A:HOH341 1.9 38.4 1.0
OE2 A:GLU66 2.0 33.9 1.0
OE1 A:GLU110 2.0 35.6 1.0
O A:HOH381 2.2 44.2 1.0
OE2 A:GLU110 2.2 33.8 1.0
O A:HOH397 2.3 37.3 1.0
CD A:GLU110 2.4 33.3 1.0
CD A:GLU66 2.9 31.4 1.0
OE1 A:GLU66 3.2 30.8 1.0
FE A:FE201 3.3 29.8 0.7
CG A:GLU110 3.9 31.9 1.0
OE1 A:GLN143 4.0 28.9 1.0
OG A:SER146 4.0 25.3 0.5
O A:HOH320 4.2 48.5 1.0
CG A:GLU66 4.2 28.1 1.0
NE2 A:GLN143 4.3 27.8 1.0
OH A:TYR40 4.4 36.3 1.0
CE2 A:TYR40 4.4 29.3 1.0
CE1 A:HIS69 4.5 34.7 1.0
ND1 A:HIS69 4.6 32.2 1.0
O A:HOH308 4.6 43.8 1.0
CD A:GLN143 4.6 28.1 1.0
OG1 A:THR113 4.7 32.1 1.0
CB A:GLU110 4.7 29.5 1.0
CG2 A:THR113 4.8 31.0 1.0
CA A:GLU110 4.8 28.0 1.0
OG A:SER146 4.8 25.6 0.5
CB A:THR113 4.9 30.9 1.0
CB A:SER146 4.9 25.3 0.5
CB A:SER146 4.9 25.5 0.5
CZ A:TYR40 4.9 32.6 1.0

Iron binding site 3 out of 3 in 6soq

Go back to Iron Binding Sites List in 6soq
Iron binding site 3 out of 3 in the 2 Minute FE2+ Soaked Structure of Synftn Variant E62A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 2 Minute FE2+ Soaked Structure of Synftn Variant E62A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe203

b:30.9
occ:0.26
O A:HOH314 2.1 32.8 1.0
O A:HOH506 2.3 35.0 1.0
O A:HOH329 3.9 33.0 1.0
OD2 A:ASP137 4.0 28.8 1.0
CB A:ASP137 4.1 26.1 1.0
CG A:ASP137 4.4 27.7 1.0

Reference:

J.M.Bradley, J.Pullin, G.R.Moore, D.A.Svistunenko, A.M.Hemmings, N.E.Le Brun. Routes of Iron Entry Into, and Exit From, the Catalytic Ferroxidase Sites of the Prokaryotic Ferritin Synftn. Dalton Trans 2020.
ISSN: ESSN 1477-9234
PubMed: 31930254
DOI: 10.1039/C9DT03570B
Page generated: Sun Dec 13 17:05:59 2020

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