Iron in PDB 1m2d: Crystal Structure at 1.05 Angstroms Resolution of the CYS59SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus

The structure of Crystal Structure at 1.05 Angstroms Resolution of the CYS59SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus, PDB code: 1m2d was solved by A.P.Yeh, X.I.Ambroggio, S.L.A.Andrade, O.Einsle, C.Chatelet, J.Meyer, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.20 / 1.05
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.300, 59.800, 46.800, 90.00, 109.30, 90.00
R / Rfree (%)	13.7 / 16.2

The binding sites of Iron atom in the Crystal Structure at 1.05 Angstroms Resolution of the CYS59SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus (pdb code 1m2d). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure at 1.05 Angstroms Resolution of the CYS59SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus, PDB code: 1m2d:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure at 1.05 Angstroms Resolution of the CYS59SER Variant of the 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 Crystal Structure at 1.05 Angstroms Resolution of the CYS59SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:9.0 occ:1.00 FE1 A:FES201 0.0 9.0 1.0 S2 A:FES201 2.2 9.1 1.0 S1 A:FES201 2.2 10.2 1.0 SG A:CYS22 2.3 9.2 1.0 SG A:CYS9 2.3 9.0 1.0 FE2 A:FES201 2.7 9.8 1.0 CB A:CYS22 3.2 9.5 1.0 CB A:CYS9 3.2 8.7 1.0 N A:CYS22 3.9 10.7 1.0 CA A:CYS55 4.1 9.2 1.0 CA A:CYS22 4.2 10.1 1.0 OG A:SER59 4.2 11.3 1.0 O A:HOH227 4.4 23.7 1.0 N A:MET56 4.5 9.0 1.0 CB A:GLN11 4.5 11.7 1.0 SG A:CYS55 4.5 10.4 1.0 CA A:SER59 4.5 11.4 1.0 CA A:CYS9 4.6 8.4 1.0 CB A:CYS55 4.6 10.6 1.0 CB A:SER59 4.7 12.2 1.0 CG2 A:VAL64 4.7 9.9 1.0 CB A:VAL64 4.8 9.1 1.0 C A:CYS55 4.9 9.1 1.0 C A:CYS9 4.9 8.4 1.0 C A:SER21 5.0 12.1 1.0 O A:CYS9 5.0 9.4 1.0 N A:CYS55 5.0 9.2 1.0

Iron binding site 2 out of 4 in the Crystal Structure at 1.05 Angstroms Resolution of the CYS59SER Variant of the 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 Crystal Structure at 1.05 Angstroms Resolution of the CYS59SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:9.8 occ:1.00 FE2 A:FES201 0.0 9.8 1.0 OG A:SER59 1.9 11.3 1.0 S1 A:FES201 2.2 10.2 1.0 S2 A:FES201 2.3 9.1 1.0 SG A:CYS55 2.3 10.4 1.0 FE1 A:FES201 2.7 9.0 1.0 CB A:SER59 3.0 12.2 1.0 CB A:CYS55 3.3 10.6 1.0 CA A:SER59 3.5 11.4 1.0 CA A:CYS55 3.7 9.2 1.0 N A:SER59 3.7 11.8 1.0 O A:HOH210 3.8 18.9 1.0 O A:HOH240 4.0 34.9 1.0 N A:MET56 4.0 9.0 1.0 N A:ASN57 4.1 10.3 1.0 C A:CYS55 4.3 9.1 1.0 N A:ALA58 4.3 11.3 1.0 SG A:CYS9 4.4 9.0 1.0 SG A:CYS22 4.5 9.2 1.0 C A:ALA58 4.6 10.7 1.0 CA A:ASN57 4.6 12.6 1.0 NH2 A:ARG13 4.8 25.2 1.0 C A:SER59 4.9 11.9 1.0 C A:MET56 4.9 10.1 1.0 N A:CYS55 4.9 9.2 1.0 C A:ASN57 5.0 11.7 1.0

Iron binding site 3 out of 4 in the Crystal Structure at 1.05 Angstroms Resolution of the CYS59SER Variant of the 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 Crystal Structure at 1.05 Angstroms Resolution of the CYS59SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:8.9 occ:1.00 FE1 B:FES201 0.0 8.9 1.0 S1 B:FES201 2.2 9.8 1.0 S2 B:FES201 2.2 9.7 1.0 SG B:CYS9 2.3 8.8 1.0 SG B:CYS22 2.3 9.1 1.0 FE2 B:FES201 2.7 10.3 1.0 CB B:CYS9 3.2 8.2 1.0 CB B:CYS22 3.2 9.0 1.0 N B:CYS22 3.9 9.7 1.0 CA B:CYS55 4.1 10.0 1.0 CA B:CYS22 4.2 9.3 1.0 OG B:SER59 4.2 11.7 1.0 O B:HOH228 4.3 25.4 1.0 N B:MET56 4.5 10.2 1.0 CB B:GLN11 4.5 9.9 1.0 CA B:SER59 4.5 13.5 1.0 SG B:CYS55 4.5 11.4 1.0 CA B:CYS9 4.6 8.2 1.0 CB B:CYS55 4.6 10.8 1.0 CB B:SER59 4.6 13.0 1.0 CG2 B:VAL64 4.7 11.3 1.0 CB B:VAL64 4.8 9.5 1.0 C B:CYS9 4.9 7.8 1.0 C B:CYS55 4.9 10.4 1.0 O B:CYS9 5.0 8.8 1.0 N B:CYS55 5.0 9.4 1.0 C B:SER21 5.0 10.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure at 1.05 Angstroms Resolution of the CYS59SER Variant of the 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 Crystal Structure at 1.05 Angstroms Resolution of the CYS59SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:10.3 occ:1.00 FE2 B:FES201 0.0 10.3 1.0 OG B:SER59 1.9 11.7 1.0 S1 B:FES201 2.2 9.8 1.0 S2 B:FES201 2.3 9.7 1.0 SG B:CYS55 2.3 11.4 1.0 FE1 B:FES201 2.7 8.9 1.0 CB B:SER59 3.0 13.0 1.0 CB B:CYS55 3.3 10.8 1.0 CA B:SER59 3.4 13.5 1.0 N B:SER59 3.6 13.7 1.0 CA B:CYS55 3.7 10.0 1.0 O B:HOH208 3.8 16.4 1.0 O B:HOH229 4.0 31.4 1.0 N B:MET56 4.1 10.2 1.0 N B:ASN57 4.1 13.1 1.0 N B:ALA58 4.3 14.5 1.0 C B:CYS55 4.3 10.4 1.0 SG B:CYS9 4.4 8.8 1.0 SG B:CYS22 4.5 9.1 1.0 C B:ALA58 4.6 13.1 1.0 CA B:ASN57 4.7 15.2 1.0 NH2 B:ARG13 4.9 23.7 1.0 C B:SER59 4.9 13.8 1.0 C B:MET56 4.9 13.1 1.0 N B:CYS55 4.9 9.4 1.0 O B:HOH228 4.9 25.4 1.0 C B:ASN57 5.0 15.2 1.0

A.P.Yeh, X.I.Ambroggio, S.L.A.Andrade, O.Einsle, C.Chatelet, J.Meyer, D.C.Rees. High-Resolution Crystal Structures of the Wild Type and Cys-55-->Ser and Cys-59-->Ser Variants of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus J.Biol.Chem. V. 277 34499 2002.
ISSN: ISSN 0021-9258
PubMed: 12089152
DOI: 10.1074/JBC.M205096200