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Iron in PDB 7tqi: Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn)

Enzymatic activity of Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn)

All present enzymatic activity of Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn):
1.18.6.1;

Protein crystallography data

The structure of Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn), PDB code: 7tqi was solved by T.M.Buscagan, J.T.Kaiser, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.03 / 1.47
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.786, 74.678, 75.18, 90, 90, 90
R / Rfree (%) 17.6 / 19.8

Other elements in 7tqi:

The structure of Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn) also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn) (pdb code 7tqi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn), PDB code: 7tqi:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 7tqi

Go back to Iron Binding Sites List in 7tqi
Iron binding site 1 out of 4 in the Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:19.9
occ:0.96
 FE1 A:SF4301 0.0 19.9 1.0
FE1 A:SFS302 0.0 19.9 0.0
SG A:CYS97 2.3 22.9 1.0
S4 A:SF4301 2.3 19.9 0.9
S3 A:SF4301 2.3 19.9 1.0
SE4 A:SFS302 2.4 19.9 0.1
SE3 A:SFS302 2.4 19.9 0.0
FE2 A:SF4301 2.7 19.9 0.9
FE2 A:SFS302 2.7 19.9 0.1
CB A:CYS97 3.3 25.4 1.0
CA A:CYS97 3.7 22.1 1.0
N A:ALA98 4.2 18.7 1.0
C A:CYS97 4.3 20.3 1.0
CA A:GLY133 4.4 21.5 1.0
N A:GLY133 4.7 19.7 1.0
N A:GLY99 4.7 17.4 1.0
SG A:CYS132 4.8 23.0 1.0
O A:HOH485 4.9 29.7 1.0

Iron binding site 2 out of 4 in 7tqi

Go back to Iron Binding Sites List in 7tqi
Iron binding site 2 out of 4 in the Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:19.9
occ:0.93
 FE2 A:SF4301 0.0 19.9 0.9
FE2 A:SFS302 0.0 19.9 0.1
S3 A:SF4301 2.3 19.9 1.0
SG A:CYS132 2.3 23.0 1.0
S4 A:SF4301 2.3 19.9 0.9
SE3 A:SFS302 2.4 19.9 0.0
SE4 A:SFS302 2.4 19.9 0.1
FE1 A:SF4301 2.7 19.9 1.0
FE1 A:SFS302 2.7 19.9 0.0
CB A:CYS132 3.5 23.6 1.0
C A:CYS132 4.0 21.5 1.0
O A:CYS132 4.2 21.0 1.0
CG2 A:VAL130 4.3 22.2 1.0
N A:GLY133 4.3 19.7 1.0
CA A:CYS132 4.3 22.7 1.0
SG A:CYS97 4.8 22.9 1.0
CA A:GLY133 4.8 21.5 1.0
CB A:VAL130 4.8 23.2 1.0
N A:CYS132 4.9 19.3 1.0

Iron binding site 3 out of 4 in 7tqi

Go back to Iron Binding Sites List in 7tqi
Iron binding site 3 out of 4 in the Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe302

b:19.9
occ:0.04
 FE1 A:SF4301 0.0 19.9 1.0
FE1 A:SFS302 0.0 19.9 0.0
SG A:CYS97 2.3 22.9 1.0
S4 A:SF4301 2.3 19.9 0.9
S3 A:SF4301 2.3 19.9 1.0
SE4 A:SFS302 2.4 19.9 0.1
SE3 A:SFS302 2.4 19.9 0.0
FE2 A:SF4301 2.7 19.9 0.9
FE2 A:SFS302 2.7 19.9 0.1
CB A:CYS97 3.3 25.4 1.0
CA A:CYS97 3.7 22.1 1.0
N A:ALA98 4.2 18.7 1.0
C A:CYS97 4.3 20.3 1.0
CA A:GLY133 4.4 21.5 1.0
N A:GLY133 4.7 19.7 1.0
N A:GLY99 4.7 17.4 1.0
SG A:CYS132 4.8 23.0 1.0
O A:HOH485 4.9 29.7 1.0

Iron binding site 4 out of 4 in 7tqi

Go back to Iron Binding Sites List in 7tqi
Iron binding site 4 out of 4 in the Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Selenium-Incorporated Nitrogenase Fe Protein (AV2-Se) From A. Vinelandii (11 Mm Ksecn) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe302

b:19.9
occ:0.07
 FE2 A:SF4301 0.0 19.9 0.9
FE2 A:SFS302 0.0 19.9 0.1
S3 A:SF4301 2.3 19.9 1.0
SG A:CYS132 2.3 23.0 1.0
S4 A:SF4301 2.3 19.9 0.9
SE3 A:SFS302 2.4 19.9 0.0
SE4 A:SFS302 2.4 19.9 0.1
FE1 A:SF4301 2.7 19.9 1.0
FE1 A:SFS302 2.7 19.9 0.0
CB A:CYS132 3.5 23.6 1.0
C A:CYS132 4.0 21.5 1.0
O A:CYS132 4.2 21.0 1.0
CG2 A:VAL130 4.3 22.2 1.0
N A:GLY133 4.3 19.7 1.0
CA A:CYS132 4.3 22.7 1.0
SG A:CYS97 4.8 22.9 1.0
CA A:GLY133 4.8 21.5 1.0
CB A:VAL130 4.8 23.2 1.0
N A:CYS132 4.9 19.3 1.0

Reference:

T.M.Buscagan, J.T.Kaiser, D.C.Rees. Selenocyanate Derived Se-Incorporation Into the Nitrogenase Fe Protein Cluster. Elife V. 11 2022.
ISSN: ESSN 2050-084X
PubMed: 35904245
DOI: 10.7554/ELIFE.79311
Page generated: Fri Aug 9 02:19:28 2024

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