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Iron in PDB 1qof: Ferredoxin Mutation Q70K

Protein crystallography data

The structure of Ferredoxin Mutation Q70K, PDB code: 1qof was solved by H.M.Holden, M.M.Benning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.730, 38.230, 148.160, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / n/a

Iron Binding Sites:

The binding sites of Iron atom in the Ferredoxin Mutation Q70K (pdb code 1qof). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Ferredoxin Mutation Q70K, PDB code: 1qof:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1qof

Go back to Iron Binding Sites List in 1qof
Iron binding site 1 out of 4 in the Ferredoxin Mutation Q70K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferredoxin Mutation Q70K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe100

b:20.1
occ:1.00
 FE1 A:FES100 0.0 20.1 1.0
SG A:CYS46 2.2 21.5 1.0
S1 A:FES100 2.2 18.1 1.0
S2 A:FES100 2.2 19.4 1.0
SG A:CYS41 2.3 19.4 1.0
FE2 A:FES100 2.7 19.3 1.0
CB A:CYS46 3.3 23.8 1.0
CB A:CYS41 3.5 18.3 1.0
N A:CYS46 3.6 19.6 1.0
N A:CYS41 3.6 18.6 1.0
N A:ARG42 3.7 16.1 1.0
CA A:CYS46 3.8 20.8 1.0
CA A:CYS41 3.9 16.1 1.0
C A:CYS46 4.0 19.1 1.0
O A:CYS46 4.1 22.7 1.0
N A:ALA45 4.2 22.6 1.0
C A:CYS41 4.2 23.9 1.0
N A:ALA43 4.3 19.1 1.0
N A:GLY44 4.3 22.8 1.0
SG A:CYS79 4.4 17.9 1.0
C A:ALA45 4.5 27.4 1.0
SG A:CYS49 4.5 19.0 1.0
CA A:ARG42 4.6 15.7 1.0
N A:SER40 4.6 15.6 1.0
C A:SER40 4.7 22.8 1.0
N A:SER47 4.7 18.7 1.0
N A:THR48 4.7 19.0 1.0
CA A:GLY44 4.8 20.9 1.0
CB A:SER40 4.9 22.3 1.0
CA A:ALA45 4.9 19.3 1.0
C A:ARG42 4.9 22.7 1.0
C A:GLY44 4.9 23.8 1.0
CB A:THR48 5.0 15.5 1.0
N A:CYS49 5.0 16.7 1.0
CA A:SER40 5.0 17.8 1.0

Iron binding site 2 out of 4 in 1qof

Go back to Iron Binding Sites List in 1qof
Iron binding site 2 out of 4 in the Ferredoxin Mutation Q70K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferredoxin Mutation Q70K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe100

b:19.3
occ:1.00
 FE2 A:FES100 0.0 19.3 1.0
S2 A:FES100 2.1 19.4 1.0
S1 A:FES100 2.2 18.1 1.0
SG A:CYS79 2.3 17.9 1.0
SG A:CYS49 2.3 19.0 1.0
FE1 A:FES100 2.7 20.1 1.0
CB A:CYS79 3.2 13.2 1.0
CB A:CYS49 3.3 14.6 1.0
N A:GLY44 4.2 22.8 1.0
N A:CYS79 4.2 17.4 1.0
N A:CYS49 4.3 16.7 1.0
CA A:CYS79 4.3 15.2 1.0
N A:ARG42 4.4 16.1 1.0
SG A:CYS41 4.4 19.4 1.0
CA A:CYS49 4.4 15.2 1.0
CA A:ARG42 4.5 15.7 1.0
SG A:CYS46 4.5 21.5 1.0
CA A:GLY44 4.5 20.9 1.0
CB A:LEU77 4.6 16.1 1.0
N A:ALA43 4.6 19.1 1.0
C A:ARG42 4.8 22.7 1.0
O A:CYS46 4.8 22.7 1.0

Iron binding site 3 out of 4 in 1qof

Go back to Iron Binding Sites List in 1qof
Iron binding site 3 out of 4 in the Ferredoxin Mutation Q70K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ferredoxin Mutation Q70K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe100

b:20.8
occ:1.00
 FE1 B:FES100 0.0 20.8 1.0
SG B:CYS41 2.2 19.9 1.0
SG B:CYS46 2.2 21.4 1.0
S2 B:FES100 2.2 19.3 1.0
S1 B:FES100 2.3 17.2 1.0
FE2 B:FES100 2.8 20.0 1.0
CB B:CYS46 3.3 21.2 1.0
CB B:CYS41 3.4 22.1 1.0
N B:CYS46 3.5 18.4 1.0
N B:CYS41 3.6 20.0 1.0
CA B:CYS46 3.7 18.1 1.0
N B:ARG42 3.7 15.6 1.0
CA B:CYS41 3.9 14.1 1.0
C B:CYS46 4.0 19.4 1.0
O B:CYS46 4.2 25.1 1.0
N B:ALA45 4.2 22.4 1.0
C B:CYS41 4.2 17.8 1.0
SG B:CYS79 4.3 16.5 1.0
N B:GLY44 4.4 18.0 1.0
C B:ALA45 4.4 20.1 1.0
N B:ALA43 4.4 24.0 1.0
SG B:CYS49 4.5 17.5 1.0
N B:SER40 4.6 23.9 1.0
C B:SER40 4.6 25.1 1.0
N B:SER47 4.7 17.0 1.0
N B:THR48 4.7 16.6 1.0
CA B:ARG42 4.7 15.6 1.0
CA B:GLY44 4.8 24.1 1.0
C B:GLY44 4.8 34.3 1.0
CA B:ALA45 4.9 17.3 1.0
CB B:SER40 4.9 23.9 1.0
CA B:SER40 4.9 21.3 1.0
CB B:THR48 4.9 28.0 1.0
N B:CYS49 5.0 17.7 1.0

Iron binding site 4 out of 4 in 1qof

Go back to Iron Binding Sites List in 1qof
Iron binding site 4 out of 4 in the Ferredoxin Mutation Q70K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ferredoxin Mutation Q70K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe100

b:20.0
occ:1.00
 FE2 B:FES100 0.0 20.0 1.0
SG B:CYS79 2.2 16.5 1.0
S2 B:FES100 2.2 19.3 1.0
SG B:CYS49 2.2 17.5 1.0
S1 B:FES100 2.2 17.2 1.0
FE1 B:FES100 2.8 20.8 1.0
CB B:CYS79 3.1 14.0 1.0
CB B:CYS49 3.3 10.1 1.0
N B:CYS79 4.1 16.2 1.0
CA B:CYS79 4.2 20.4 1.0
N B:CYS49 4.2 17.7 1.0
N B:GLY44 4.2 18.0 1.0
SG B:CYS41 4.3 19.9 1.0
N B:ARG42 4.4 15.6 1.0
CA B:CYS49 4.4 22.4 1.0
CA B:GLY44 4.5 24.1 1.0
CB B:LEU77 4.5 16.4 1.0
CA B:ARG42 4.5 15.6 1.0
SG B:CYS46 4.5 21.4 1.0
N B:ALA43 4.7 24.0 1.0
C B:ARG42 4.9 25.6 1.0
O B:CYS46 4.9 25.1 1.0

Reference:

J.K.Hurley, A.M.Weber-Main, M.T.Stankovich, M.M.Benning, J.B.Thoden, J.L.Vanhooke, H.M.Holden, Y.K.Chae, B.Xia, H.Cheng, J.L.Markley, M.Martinez-Julvez, C.Gomez-Moreno, J.L.Schmeits, G.Tollin. Structure-Function Relationships in Anabaena Ferredoxin: Correlations Between X-Ray Crystal Structures, Reduction Potentials, and Rate Constants of Electron Transfer to Ferredoxin:Nadp+ Reductase For Site-Specific Ferredoxin Mutants. Biochemistry V. 36 11100 1997.
ISSN: ISSN 0006-2960
PubMed: 9287153
DOI: 10.1021/BI9709001
Page generated: Sat Aug 3 13:40:19 2024

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