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Iron in PDB 1qoa: Ferredoxin Mutation C49S

Protein crystallography data

The structure of Ferredoxin Mutation C49S, PDB code: 1qoa 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 / 1.70
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 (%) 18.2 / n/a

Iron Binding Sites:

The binding sites of Iron atom in the Ferredoxin Mutation C49S (pdb code 1qoa). 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 C49S, PDB code: 1qoa:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1qoa

Go back to Iron Binding Sites List in 1qoa
Iron binding site 1 out of 4 in the Ferredoxin Mutation C49S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferredoxin Mutation C49S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe100

b:23.2
occ:1.00
 FE1 A:FES100 0.0 23.2 1.0
S1 A:FES100 2.2 20.8 1.0
S2 A:FES100 2.2 23.9 1.0
SG A:CYS41 2.2 21.9 1.0
SG A:CYS46 2.3 24.5 1.0
FE2 A:FES100 2.8 23.0 1.0
CB A:CYS46 3.3 23.4 1.0
CB A:CYS41 3.4 20.9 1.0
N A:CYS46 3.4 26.4 1.0
N A:CYS41 3.6 19.4 1.0
N A:ARG42 3.7 20.6 1.0
CA A:CYS46 3.7 21.6 1.0
CA A:CYS41 3.8 23.4 1.0
C A:CYS46 4.0 19.0 1.0
N A:ALA45 4.1 19.4 1.0
C A:CYS41 4.2 29.9 1.0
SG A:CYS79 4.3 21.7 1.0
O A:CYS46 4.3 25.2 1.0
N A:GLY44 4.3 24.4 1.0
C A:ALA45 4.4 36.4 1.0
N A:ALA43 4.4 18.8 1.0
OG A:SER49 4.4 28.6 1.0
N A:SER47 4.6 25.3 1.0
CA A:ARG42 4.7 21.0 1.0
N A:THR48 4.7 22.8 1.0
C A:SER40 4.7 22.7 1.0
N A:SER40 4.7 15.9 1.0
CA A:GLY44 4.8 29.2 1.0
CA A:ALA45 4.8 25.6 1.0
N A:SER49 4.8 18.8 1.0
C A:GLY44 4.9 27.1 1.0
CB A:THR48 4.9 18.2 1.0
CB A:SER40 4.9 22.6 1.0

Iron binding site 2 out of 4 in 1qoa

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Iron binding site 2 out of 4 in the Ferredoxin Mutation C49S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferredoxin Mutation C49S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe100

b:23.0
occ:1.00
 FE2 A:FES100 0.0 23.0 1.0
OG A:SER49 2.0 28.6 1.0
S1 A:FES100 2.2 20.8 1.0
S2 A:FES100 2.2 23.9 1.0
SG A:CYS79 2.3 21.7 1.0
FE1 A:FES100 2.8 23.2 1.0
CB A:SER49 2.9 21.2 1.0
CB A:CYS79 3.3 17.0 1.0
N A:SER49 3.9 18.8 1.0
CA A:SER49 4.0 17.2 1.0
N A:CYS79 4.1 17.5 1.0
CA A:CYS79 4.3 16.6 1.0
N A:GLY44 4.3 24.4 1.0
CB A:LEU77 4.4 19.6 1.0
SG A:CYS41 4.4 21.9 1.0
N A:ARG42 4.4 20.6 1.0
SG A:CYS46 4.6 24.5 1.0
CA A:ARG42 4.6 21.0 1.0
CA A:GLY44 4.6 29.2 1.0
C A:SER49 4.7 20.8 1.0
N A:ALA43 4.7 18.8 1.0
CA A:LEU77 4.9 27.8 1.0
C A:LEU77 4.9 25.9 1.0
O A:SER49 5.0 24.6 1.0
N A:THR78 5.0 20.0 1.0

Iron binding site 3 out of 4 in 1qoa

Go back to Iron Binding Sites List in 1qoa
Iron binding site 3 out of 4 in the Ferredoxin Mutation C49S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ferredoxin Mutation C49S within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe100

b:25.0
occ:1.00
 FE1 B:FES100 0.0 25.0 1.0
SG B:CYS41 2.2 25.6 1.0
S1 B:FES100 2.2 22.8 1.0
S2 B:FES100 2.2 23.3 1.0
SG B:CYS46 2.2 24.9 1.0
FE2 B:FES100 2.8 22.9 1.0
CB B:CYS46 3.3 22.5 1.0
CB B:CYS41 3.4 22.9 1.0
N B:CYS46 3.6 22.6 1.0
N B:CYS41 3.6 22.9 1.0
N B:ARG42 3.7 20.7 1.0
CA B:CYS46 3.8 22.9 1.0
CA B:CYS41 3.9 19.8 1.0
C B:CYS46 4.1 27.1 1.0
N B:ALA45 4.1 21.9 1.0
OG B:SER49 4.2 19.3 1.0
C B:CYS41 4.2 22.9 1.0
SG B:CYS79 4.3 22.4 1.0
O B:CYS46 4.3 25.6 1.0
N B:GLY44 4.3 20.4 1.0
N B:ALA43 4.4 21.6 1.0
C B:ALA45 4.4 27.6 1.0
N B:THR48 4.6 24.7 1.0
CA B:ARG42 4.6 21.7 1.0
C B:SER40 4.7 26.4 1.0
N B:SER40 4.7 24.7 1.0
N B:SER49 4.7 19.5 1.0
N B:SER47 4.7 18.7 1.0
CA B:GLY44 4.7 23.9 1.0
C B:GLY44 4.8 30.8 1.0
CA B:ALA45 4.8 20.2 1.0
CB B:THR48 5.0 24.8 1.0

Iron binding site 4 out of 4 in 1qoa

Go back to Iron Binding Sites List in 1qoa
Iron binding site 4 out of 4 in the Ferredoxin Mutation C49S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ferredoxin Mutation C49S within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe100

b:22.9
occ:1.00
 FE2 B:FES100 0.0 22.9 1.0
OG B:SER49 1.8 19.3 1.0
S2 B:FES100 2.2 23.3 1.0
S1 B:FES100 2.2 22.8 1.0
SG B:CYS79 2.3 22.4 1.0
FE1 B:FES100 2.8 25.0 1.0
CB B:SER49 3.0 19.0 1.0
CB B:CYS79 3.3 20.5 1.0
N B:SER49 3.7 19.5 1.0
CA B:SER49 3.9 18.7 1.0
N B:CYS79 4.1 20.3 1.0
CA B:CYS79 4.3 20.4 1.0
N B:GLY44 4.3 20.4 1.0
SG B:CYS41 4.4 25.6 1.0
CB B:LEU77 4.4 19.5 1.0
N B:ARG42 4.5 20.7 1.0
SG B:CYS46 4.5 24.9 1.0
CA B:GLY44 4.6 23.9 1.0
CA B:ARG42 4.6 21.7 1.0
C B:SER49 4.7 27.9 1.0
N B:ALA43 4.8 21.6 1.0
C B:LEU77 4.9 17.0 1.0
CA B:LEU77 4.9 19.1 1.0
C B:THR48 4.9 19.6 1.0
CD2 B:LEU77 5.0 18.8 1.0
N B:THR78 5.0 22.9 1.0

Reference:

J.K.Hurley, A.M.Weber-Main, A.E.Hodges, M.T.Stankovich, M.M.Benning, H.M.Holden, H.Cheng, B.Xia, J.L.Markley, C.Genzor, C.Gomez-Moreno, R.Hafezi, G.Tollin. Iron-Sulfur Cluster Cysteine-to-Serine Mutants of Anabaena -2FE-2S- Ferredoxin Exhibit Unexpected Redox Properties and Are Competent in Electron Transfer to Ferredoxin:Nadp+ Reductase. Biochemistry V. 36 15109 1997.
ISSN: ISSN 0006-2960
PubMed: 9398238
DOI: 10.1021/BI972001I
Page generated: Sat Aug 3 13:38:43 2024

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