Iron in PDB 1f37: Structure of A Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus

The structure of Structure of A Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus, PDB code: 1f37 was solved by A.P.Yeh, C.Chatelet, S.M.Soltis, P.Kuhn, J.Meyer, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	500.00 / 2.30
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.079, 68.079, 102.519, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 27

The binding sites of Iron atom in the Structure of A Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus (pdb code 1f37). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of A Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus, PDB code: 1f37:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of A Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of A Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:38.7 occ:1.00 FE1 A:FES1001 0.0 38.7 1.0 SG A:CYS22 2.2 53.6 1.0 S1 A:FES1001 2.2 41.4 1.0 S2 A:FES1001 2.2 45.6 1.0 SG A:CYS9 2.2 53.4 1.0 FE2 A:FES1001 2.7 40.0 1.0 CB A:CYS9 3.3 37.3 1.0 CB A:CYS22 3.4 43.2 1.0 N A:CYS22 4.0 43.1 1.0 CA A:CYS55 4.3 35.8 1.0 CA A:CYS22 4.3 47.5 1.0 SG A:CYS55 4.3 42.1 1.0 O A:HOH2008 4.4 38.3 1.0 CB A:GLN11 4.5 48.2 1.0 N A:MET56 4.5 34.3 1.0 CG2 A:VAL64 4.7 43.6 1.0 CB A:CYS55 4.7 44.7 1.0 CA A:CYS9 4.7 39.7 1.0 SG A:CYS59 4.8 54.7 1.0 CA A:CYS59 4.8 47.6 1.0 CB A:VAL64 4.9 40.3 1.0 C A:CYS9 5.0 38.5 1.0 N A:CYS55 5.0 40.8 1.0 C A:CYS55 5.0 35.5 1.0

Iron binding site 2 out of 4 in the Structure of A Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of A Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:40.0 occ:1.00 FE2 A:FES1001 0.0 40.0 1.0 SG A:CYS55 2.2 42.1 1.0 S1 A:FES1001 2.2 41.4 1.0 S2 A:FES1001 2.2 45.6 1.0 SG A:CYS59 2.3 54.7 1.0 FE1 A:FES1001 2.7 38.7 1.0 CB A:CYS59 3.3 45.2 1.0 CB A:CYS55 3.5 44.7 1.0 CA A:CYS59 3.6 47.6 1.0 N A:CYS59 3.7 44.4 1.0 CA A:CYS55 3.9 35.8 1.0 NH2 A:ARG13 4.1 29.2 1.0 N A:ASN57 4.1 45.0 1.0 N A:MET56 4.2 34.3 1.0 N A:ALA58 4.2 47.6 1.0 NH1 A:ARG13 4.4 38.9 1.0 SG A:CYS22 4.4 53.6 1.0 SG A:CYS9 4.5 53.4 1.0 C A:CYS55 4.5 35.5 1.0 CA A:ASN57 4.5 49.2 1.0 C A:ALA58 4.5 45.5 1.0 CZ A:ARG13 4.7 36.4 1.0 O A:HOH2008 4.8 38.3 1.0 C A:ASN57 4.9 47.0 1.0 C A:MET56 5.0 43.2 1.0

Iron binding site 3 out of 4 in the Structure of A Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of A Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1002 b:47.3 occ:1.00 FE1 B:FES1002 0.0 47.3 1.0 S2 B:FES1002 2.2 50.7 1.0 SG B:CYS22 2.2 54.2 1.0 S1 B:FES1002 2.2 49.1 1.0 SG B:CYS9 2.2 57.9 1.0 FE2 B:FES1002 2.7 47.3 1.0 CB B:CYS9 3.3 42.0 1.0 CB B:CYS22 3.3 51.8 1.0 N B:CYS22 4.0 52.7 1.0 CA B:CYS22 4.2 48.4 1.0 CA B:CYS55 4.3 42.2 1.0 CB B:GLN11 4.3 56.5 1.0 SG B:CYS55 4.5 52.6 1.0 N B:MET56 4.6 40.4 1.0 CA B:CYS9 4.7 40.2 1.0 CA B:CYS59 4.7 58.8 1.0 SG B:CYS59 4.7 67.0 1.0 CB B:VAL64 4.7 45.7 1.0 CG2 B:VAL64 4.7 42.5 1.0 CB B:CYS55 4.8 44.0 1.0 C B:CYS9 4.9 33.1 1.0 CB B:CYS59 5.0 61.4 1.0 N B:GLN11 5.0 48.5 1.0 N B:CYS59 5.0 58.0 1.0

Iron binding site 4 out of 4 in the Structure of A Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of A Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1002 b:47.3 occ:1.00 FE2 B:FES1002 0.0 47.3 1.0 SG B:CYS55 2.2 52.6 1.0 S1 B:FES1002 2.2 49.1 1.0 S2 B:FES1002 2.2 50.7 1.0 SG B:CYS59 2.3 67.0 1.0 FE1 B:FES1002 2.7 47.3 1.0 CB B:CYS55 3.3 44.0 1.0 CB B:CYS59 3.4 61.4 1.0 NH1 B:ARG13 3.6 48.6 1.0 CA B:CYS59 3.7 58.8 1.0 CA B:CYS55 3.8 42.2 1.0 N B:CYS59 3.8 58.0 1.0 N B:MET56 4.1 40.4 1.0 N B:ASN57 4.1 51.8 1.0 NH2 B:ARG13 4.2 54.2 1.0 SG B:CYS9 4.3 57.9 1.0 N B:ALA58 4.3 54.4 1.0 CZ B:ARG13 4.3 57.1 1.0 C B:CYS55 4.4 37.9 1.0 SG B:CYS22 4.6 54.2 1.0 CA B:ASN57 4.6 53.8 1.0 C B:ALA58 4.7 54.4 1.0 CB B:GLN11 4.9 56.5 1.0 N B:CYS55 5.0 47.1 1.0

A.P.Yeh, C.Chatelet, S.M.Soltis, P.Kuhn, J.Meyer, D.C.Rees. Structure of A Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus. J.Mol.Biol. V. 300 587 2000.
ISSN: ISSN 0022-2836
PubMed: 10884354
DOI: 10.1006/JMBI.2000.3871