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Iron in PDB 4c1n: Corrinoid Protein Reactivation Complex with Activator

Protein crystallography data

The structure of Corrinoid Protein Reactivation Complex with Activator, PDB code: 4c1n was solved by S.E.Hennig, S.Goetzl, J.H.Jeoung, M.Bommer, F.Lendzian, P.Hildebrandt, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.631 / 2.53
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 67.134, 128.175, 163.366, 77.61, 82.25, 88.76
R / Rfree (%) 19.08 / 24.29

Other elements in 4c1n:

The structure of Corrinoid Protein Reactivation Complex with Activator also contains other interesting chemical elements:

Cobalt (Co) 4 atoms

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iron atom in the Corrinoid Protein Reactivation Complex with Activator (pdb code 4c1n). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the Corrinoid Protein Reactivation Complex with Activator, PDB code: 4c1n:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 16 in 4c1n

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Iron binding site 1 out of 16 in the Corrinoid Protein Reactivation Complex with Activator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Corrinoid Protein Reactivation Complex with Activator within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1444

b:33.9
occ:1.00
 FE1 A:SF41444 0.0 33.9 1.0
SG A:CYS25 2.2 30.6 1.0
S3 A:SF41444 2.3 33.0 1.0
S4 A:SF41444 2.3 31.4 1.0
S2 A:SF41444 2.3 30.6 1.0
FE3 A:SF41444 2.8 34.8 1.0
FE2 A:SF41444 2.8 37.0 1.0
FE4 A:SF41444 2.8 39.9 1.0
CB A:CYS25 3.5 35.1 1.0
CA A:CYS25 3.5 36.7 1.0
N A:ASN16 3.9 32.2 1.0
N A:CYS25 4.0 37.1 1.0
S1 A:SF41444 4.0 38.4 1.0
CA A:ASN16 4.2 31.3 1.0
N A:CYS17 4.6 35.9 1.0
N A:LYS15 4.6 31.2 1.0
C A:THR24 4.6 38.1 1.0
N A:LYS14 4.8 29.9 1.0
CD A:PRO13 4.8 34.0 1.0
SG A:CYS42 4.8 39.9 1.0
C A:CYS25 4.9 35.3 1.0
O A:THR24 4.9 39.3 1.0
SG A:CYS20 4.9 36.8 1.0
C A:ASN16 4.9 37.0 1.0
SG A:CYS17 5.0 46.0 1.0

Iron binding site 2 out of 16 in 4c1n

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Iron binding site 2 out of 16 in the Corrinoid Protein Reactivation Complex with Activator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Corrinoid Protein Reactivation Complex with Activator within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1444

b:37.0
occ:1.00
 FE2 A:SF41444 0.0 37.0 1.0
S3 A:SF41444 2.3 33.0 1.0
S1 A:SF41444 2.3 38.4 1.0
S4 A:SF41444 2.3 31.4 1.0
SG A:CYS20 2.3 36.8 1.0
FE3 A:SF41444 2.7 34.8 1.0
FE4 A:SF41444 2.7 39.9 1.0
FE1 A:SF41444 2.8 33.9 1.0
CB A:CYS20 3.0 43.1 1.0
S2 A:SF41444 3.9 30.6 1.0
N A:CYS20 4.0 40.9 1.0
CA A:CYS20 4.1 41.7 1.0
CB A:PHE28 4.3 34.3 1.0
CG A:PHE28 4.4 36.9 1.0
CD2 A:PHE28 4.6 36.6 1.0
SG A:CYS42 4.6 39.9 1.0
N A:LYS18 4.7 35.0 1.0
SG A:CYS17 4.8 46.0 1.0
O A:THR24 4.8 39.3 1.0
CB A:CYS42 4.8 37.4 1.0
N A:GLU19 4.8 37.5 1.0
CA A:CYS25 4.9 36.7 1.0
SG A:CYS25 4.9 30.6 1.0
CA A:LYS18 5.0 38.4 1.0

Iron binding site 3 out of 16 in 4c1n

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Iron binding site 3 out of 16 in the Corrinoid Protein Reactivation Complex with Activator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Corrinoid Protein Reactivation Complex with Activator within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1444

b:34.8
occ:1.00
 FE3 A:SF41444 0.0 34.8 1.0
S1 A:SF41444 2.3 38.4 1.0
S2 A:SF41444 2.3 30.6 1.0
S4 A:SF41444 2.3 31.4 1.0
SG A:CYS42 2.3 39.9 1.0
FE4 A:SF41444 2.7 39.9 1.0
FE2 A:SF41444 2.7 37.0 1.0
FE1 A:SF41444 2.8 33.9 1.0
CB A:CYS42 3.4 37.4 1.0
S3 A:SF41444 3.8 33.0 1.0
CA A:CYS42 4.0 46.3 1.0
CG A:PRO13 4.3 34.4 1.0
CD A:PRO13 4.4 34.0 1.0
CD2 A:TYR44 4.5 49.6 1.0
SG A:CYS17 4.5 46.0 1.0
CB A:CYS20 4.6 43.1 1.0
CD A:PRO43 4.6 46.8 1.0
SG A:CYS25 4.7 30.6 1.0
SG A:CYS20 4.8 36.8 1.0
C A:CYS42 4.8 44.2 1.0
CB A:PRO13 4.9 38.1 1.0
N A:PRO43 4.9 51.1 1.0

Iron binding site 4 out of 16 in 4c1n

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Iron binding site 4 out of 16 in the Corrinoid Protein Reactivation Complex with Activator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Corrinoid Protein Reactivation Complex with Activator within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1444

b:39.9
occ:1.00
 FE4 A:SF41444 0.0 39.9 1.0
S3 A:SF41444 2.3 33.0 1.0
SG A:CYS17 2.3 46.0 1.0
S2 A:SF41444 2.3 30.6 1.0
S1 A:SF41444 2.3 38.4 1.0
FE3 A:SF41444 2.7 34.8 1.0
FE2 A:SF41444 2.7 37.0 1.0
FE1 A:SF41444 2.8 33.9 1.0
N A:CYS17 3.3 35.9 1.0
CB A:CYS17 3.6 36.8 1.0
N A:LYS18 3.7 35.0 1.0
CA A:CYS17 3.8 36.6 1.0
S4 A:SF41444 3.9 31.4 1.0
C A:CYS17 4.1 39.9 1.0
N A:GLU19 4.2 37.5 1.0
C A:ASN16 4.4 37.0 1.0
N A:ASN16 4.4 32.2 1.0
CD2 A:TYR44 4.5 49.6 1.0
CA A:ASN16 4.6 31.3 1.0
CA A:LYS18 4.7 38.4 1.0
SG A:CYS20 4.7 36.8 1.0
CE2 A:TYR44 4.7 47.0 1.0
N A:CYS20 4.7 40.9 1.0
SG A:CYS42 4.8 39.9 1.0
SG A:CYS25 4.8 30.6 1.0
C A:LYS18 4.9 42.0 1.0
CB A:GLU19 5.0 46.0 1.0
CB A:LYS15 5.0 32.6 1.0
CB A:CYS20 5.0 43.1 1.0

Iron binding site 5 out of 16 in 4c1n

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Iron binding site 5 out of 16 in the Corrinoid Protein Reactivation Complex with Activator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Corrinoid Protein Reactivation Complex with Activator within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1445

b:50.0
occ:1.00
 FE1 C:SF41445 0.0 50.0 1.0
SG C:CYS25 2.3 61.8 1.0
S3 C:SF41445 2.3 45.5 1.0
S4 C:SF41445 2.3 47.1 1.0
S2 C:SF41445 2.3 43.5 1.0
FE3 C:SF41445 2.8 50.3 1.0
FE2 C:SF41445 2.8 58.1 1.0
FE4 C:SF41445 2.8 47.9 1.0
CB C:CYS25 3.5 48.5 1.0
CA C:CYS25 3.6 44.4 1.0
N C:ASN16 3.8 50.8 1.0
S1 C:SF41445 4.0 61.7 1.0
CA C:ASN16 4.0 49.0 1.0
N C:CYS25 4.1 47.1 1.0
N C:CYS17 4.6 59.8 1.0
C C:THR24 4.7 49.7 1.0
N C:LYS15 4.7 55.9 1.0
SG C:CYS42 4.8 67.0 1.0
SG C:CYS20 4.8 51.5 1.0
C C:ASN16 4.8 53.4 1.0
C C:CYS25 4.9 41.6 1.0
OD1 C:ASN16 4.9 48.7 1.0
O C:THR24 5.0 51.2 1.0
C C:LYS15 5.0 52.1 1.0

Iron binding site 6 out of 16 in 4c1n

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Iron binding site 6 out of 16 in the Corrinoid Protein Reactivation Complex with Activator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Corrinoid Protein Reactivation Complex with Activator within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1445

b:58.1
occ:1.00
 FE2 C:SF41445 0.0 58.1 1.0
S3 C:SF41445 2.3 45.5 1.0
S1 C:SF41445 2.3 61.7 1.0
S4 C:SF41445 2.3 47.1 1.0
SG C:CYS20 2.3 51.5 1.0
FE3 C:SF41445 2.7 50.3 1.0
FE4 C:SF41445 2.8 47.9 1.0
FE1 C:SF41445 2.8 50.0 1.0
CB C:CYS20 3.2 59.8 1.0
S2 C:SF41445 3.9 43.5 1.0
N C:CYS20 4.0 51.0 1.0
CA C:CYS20 4.2 57.8 1.0
SG C:CYS42 4.5 67.0 1.0
N C:GLU19 4.5 52.4 1.0
SG C:CYS17 4.5 59.3 1.0
CB C:PHE28 4.6 55.8 1.0
CG C:PHE28 4.6 57.0 1.0
N C:LYS18 4.6 50.7 1.0
CA C:LYS18 4.8 53.6 1.0
CB C:CYS42 4.9 61.6 1.0
CD2 C:PHE28 4.9 55.1 1.0
C C:LYS18 4.9 51.7 1.0
CD1 C:PHE28 4.9 60.5 1.0
SG C:CYS25 4.9 61.8 1.0
C C:GLU19 5.0 56.7 1.0

Iron binding site 7 out of 16 in 4c1n

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Iron binding site 7 out of 16 in the Corrinoid Protein Reactivation Complex with Activator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Corrinoid Protein Reactivation Complex with Activator within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1445

b:50.3
occ:1.00
 FE3 C:SF41445 0.0 50.3 1.0
SG C:CYS42 2.3 67.0 1.0
S1 C:SF41445 2.3 61.7 1.0
S2 C:SF41445 2.3 43.5 1.0
S4 C:SF41445 2.3 47.1 1.0
FE4 C:SF41445 2.6 47.9 1.0
FE2 C:SF41445 2.7 58.1 1.0
FE1 C:SF41445 2.8 50.0 1.0
CB C:CYS42 3.5 61.6 1.0
S3 C:SF41445 3.8 45.5 1.0
CG C:PRO13 4.1 54.9 1.0
CA C:CYS42 4.2 61.5 1.0
CD C:PRO13 4.2 56.6 1.0
SG C:CYS17 4.4 59.3 1.0
CD C:PRO43 4.5 65.8 1.0
SG C:CYS25 4.5 61.8 1.0
CB C:PRO13 4.6 57.1 1.0
SG C:CYS20 4.8 51.5 1.0
CD2 C:TYR44 4.9 62.8 1.0
C C:CYS42 5.0 71.6 1.0

Iron binding site 8 out of 16 in 4c1n

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Iron binding site 8 out of 16 in the Corrinoid Protein Reactivation Complex with Activator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Corrinoid Protein Reactivation Complex with Activator within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1445

b:47.9
occ:1.00
 FE4 C:SF41445 0.0 47.9 1.0
S3 C:SF41445 2.3 45.5 1.0
S1 C:SF41445 2.3 61.7 1.0
S2 C:SF41445 2.3 43.5 1.0
SG C:CYS17 2.3 59.3 1.0
FE3 C:SF41445 2.6 50.3 1.0
FE2 C:SF41445 2.8 58.1 1.0
FE1 C:SF41445 2.8 50.0 1.0
N C:CYS17 3.1 59.8 1.0
CB C:CYS17 3.5 46.2 1.0
N C:LYS18 3.6 50.7 1.0
CA C:CYS17 3.7 51.5 1.0
S4 C:SF41445 3.9 47.1 1.0
N C:ASN16 4.0 50.8 1.0
C C:ASN16 4.1 53.4 1.0
C C:CYS17 4.1 55.2 1.0
CA C:ASN16 4.2 49.0 1.0
N C:GLU19 4.3 52.4 1.0
CG C:LYS15 4.5 59.4 1.0
CA C:LYS18 4.6 53.6 1.0
CB C:LYS15 4.7 48.2 1.0
SG C:CYS25 4.8 61.8 1.0
SG C:CYS42 4.8 67.0 1.0
CD2 C:TYR44 4.8 62.8 1.0
SG C:CYS20 4.8 51.5 1.0
CD C:LYS15 4.8 61.0 1.0
C C:LYS15 4.9 52.1 1.0
C C:LYS18 4.9 51.7 1.0

Iron binding site 9 out of 16 in 4c1n

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Iron binding site 9 out of 16 in the Corrinoid Protein Reactivation Complex with Activator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Corrinoid Protein Reactivation Complex with Activator within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe1444

b:29.9
occ:1.00
 FE1 E:SF41444 0.0 29.9 1.0
SG E:CYS25 2.3 29.3 1.0
S3 E:SF41444 2.3 29.7 1.0
S4 E:SF41444 2.3 38.6 1.0
S2 E:SF41444 2.3 39.3 1.0
FE2 E:SF41444 2.8 38.8 1.0
FE3 E:SF41444 2.8 37.5 1.0
FE4 E:SF41444 2.8 41.0 1.0
CB E:CYS25 3.4 35.1 1.0
CA E:CYS25 3.5 32.0 1.0
N E:ASN16 3.9 38.3 1.0
N E:CYS25 4.0 28.3 1.0
S1 E:SF41444 4.0 43.2 1.0
CA E:ASN16 4.4 30.6 1.0
N E:LYS15 4.5 28.5 1.0
C E:THR24 4.6 32.6 1.0
N E:CYS17 4.7 34.3 1.0
O E:THR24 4.7 31.2 1.0
SG E:CYS20 4.8 41.0 1.0
C E:CYS25 4.8 29.5 1.0
SG E:CYS42 4.9 44.9 1.0
N E:LYS14 4.9 29.6 1.0
CD E:PRO13 5.0 34.7 1.0
C E:LYS15 5.0 31.2 1.0
OD1 E:ASN16 5.0 30.8 1.0

Iron binding site 10 out of 16 in 4c1n

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Iron binding site 10 out of 16 in the Corrinoid Protein Reactivation Complex with Activator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Corrinoid Protein Reactivation Complex with Activator within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe1444

b:38.8
occ:1.00
 FE2 E:SF41444 0.0 38.8 1.0
S3 E:SF41444 2.3 29.7 1.0
SG E:CYS20 2.3 41.0 1.0
S4 E:SF41444 2.3 38.6 1.0
S1 E:SF41444 2.3 43.2 1.0
FE3 E:SF41444 2.7 37.5 1.0
FE4 E:SF41444 2.7 41.0 1.0
FE1 E:SF41444 2.8 29.9 1.0
CB E:CYS20 3.2 38.6 1.0
S2 E:SF41444 3.9 39.3 1.0
N E:CYS20 3.9 37.5 1.0
CA E:CYS20 4.2 39.2 1.0
SG E:CYS42 4.5 44.9 1.0
N E:GLU19 4.5 34.9 1.0
CG E:PHE28 4.5 31.8 1.0
CB E:PHE28 4.5 26.1 1.0
CD2 E:PHE28 4.6 35.9 1.0
CB E:CYS42 4.7 39.5 1.0
SG E:CYS17 4.7 45.7 1.0
O E:THR24 4.7 31.2 1.0
N E:LYS18 4.7 34.1 1.0
C E:GLU19 4.8 38.8 1.0
SG E:CYS25 4.9 29.3 1.0
CA E:LYS18 5.0 34.0 1.0

Reference:

S.E.Hennig, S.Goetzl, J.H.Jeoung, M.Bommer, F.Lendzian, P.Hildebrandt, H.Dobbek. Atp-Induced Electron Transfer By Redox-Selective Partner Recognition Nat.Commun. V. 5 4626 2014.
ISSN: ISSN 2041-1723
PubMed: 25109607
DOI: 10.1038/NCOMMS5626
Page generated: Mon Aug 5 00:14:29 2024

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