Iron in PDB 1m2b: Crystal Structure at 1.25 Angstroms Resolution of the CYS55SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus

The structure of Crystal Structure at 1.25 Angstroms Resolution of the CYS55SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus, PDB code: 1m2b 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)	44.30 / 1.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.300, 59.800, 46.900, 90.00, 109.80, 90.00
R / Rfree (%)	14.4 / 19.6

The binding sites of Iron atom in the Crystal Structure at 1.25 Angstroms Resolution of the CYS55SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus (pdb code 1m2b). 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 1.25 Angstroms Resolution of the CYS55SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus, PDB code: 1m2b:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure at 1.25 Angstroms Resolution of the CYS55SER 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 1.25 Angstroms Resolution of the CYS55SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:11.2 occ:1.00 FE1 A:FES301 0.0 11.2 1.0 S2 A:FES301 2.2 12.6 1.0 S1 A:FES301 2.3 13.8 1.0 SG A:CYS22 2.3 11.6 1.0 SG A:CYS9 2.3 10.9 1.0 FE2 A:FES301 2.7 13.8 1.0 CB A:CYS9 3.2 10.1 1.0 CB A:CYS22 3.3 10.5 1.0 N A:CYS22 3.9 12.8 1.0 OG A:SER55 4.1 13.1 1.0 CA A:SER55 4.1 10.2 1.0 CA A:CYS22 4.2 11.4 1.0 O A:HOH315 4.4 24.8 1.0 CB A:SER55 4.5 12.8 1.0 N A:MET56 4.5 11.2 1.0 CB A:GLN11 4.5 14.0 1.0 CA A:CYS59 4.6 17.5 1.0 CA A:CYS9 4.6 9.9 1.0 CG2 A:VAL64 4.7 12.1 1.0 SG A:CYS59 4.7 16.6 1.0 CB A:VAL64 4.7 10.7 1.0 C A:SER55 4.9 10.9 1.0 C A:CYS9 4.9 10.0 1.0 C A:SER21 5.0 16.3 1.0 CB A:CYS59 5.0 19.5 1.0 O A:CYS9 5.0 10.8 1.0

Iron binding site 2 out of 4 in the Crystal Structure at 1.25 Angstroms Resolution of the CYS55SER 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 1.25 Angstroms Resolution of the CYS55SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:13.8 occ:1.00 FE2 A:FES301 0.0 13.8 1.0 OG A:SER55 2.0 13.1 1.0 S1 A:FES301 2.2 13.8 1.0 SG A:CYS59 2.3 16.6 1.0 S2 A:FES301 2.3 12.6 1.0 FE1 A:FES301 2.7 11.2 1.0 CB A:SER55 3.0 12.8 1.0 CB A:CYS59 3.3 19.5 1.0 CA A:SER55 3.5 10.2 1.0 CA A:CYS59 3.6 17.5 1.0 N A:CYS59 3.9 17.2 1.0 N A:MET56 4.0 11.2 1.0 O A:HOH316 4.0 23.1 1.0 N A:ASN57 4.0 15.4 1.0 C A:SER55 4.2 10.9 1.0 O A:HOH353 4.2 45.7 1.0 N A:ALA58 4.2 15.1 1.0 SG A:CYS9 4.3 10.9 1.0 CA A:ASN57 4.4 15.3 1.0 SG A:CYS22 4.6 11.6 1.0 C A:ALA58 4.6 13.4 1.0 C A:ASN57 4.7 15.8 1.0 C A:MET56 4.8 14.8 1.0 N A:SER55 4.8 10.2 1.0 NH2 A:ARG13 4.9 42.5 1.0 CA A:MET56 5.0 10.9 1.0

Iron binding site 3 out of 4 in the Crystal Structure at 1.25 Angstroms Resolution of the CYS55SER 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 1.25 Angstroms Resolution of the CYS55SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:10.5 occ:1.00 FE1 B:FES301 0.0 10.5 1.0 S2 B:FES301 2.2 11.8 1.0 S1 B:FES301 2.2 13.0 1.0 SG B:CYS22 2.3 10.4 1.0 SG B:CYS9 2.3 9.7 1.0 FE2 B:FES301 2.7 13.5 1.0 CB B:CYS9 3.2 9.5 1.0 CB B:CYS22 3.3 10.7 1.0 N B:CYS22 3.9 10.5 1.0 OG B:SER55 4.1 12.9 1.0 CA B:SER55 4.1 11.0 1.0 CA B:CYS22 4.2 10.9 1.0 O B:HOH335 4.3 21.1 1.0 CB B:SER55 4.5 12.0 1.0 N B:MET56 4.5 10.6 1.0 CB B:GLN11 4.5 11.4 1.0 CA B:CYS59 4.6 17.4 1.0 CA B:CYS9 4.6 8.8 1.0 CG2 B:VAL64 4.6 11.2 1.0 SG B:CYS59 4.7 16.7 1.0 CB B:VAL64 4.7 9.6 1.0 CB B:CYS59 4.9 17.4 1.0 C B:CYS9 4.9 8.7 1.0 C B:SER55 4.9 11.0 1.0 C B:SER21 5.0 11.9 1.0 N B:SER55 5.0 10.4 1.0

Iron binding site 4 out of 4 in the Crystal Structure at 1.25 Angstroms Resolution of the CYS55SER 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 1.25 Angstroms Resolution of the CYS55SER Variant of the Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:13.5 occ:1.00 FE2 B:FES301 0.0 13.5 1.0 OG B:SER55 2.0 12.9 1.0 S1 B:FES301 2.2 13.0 1.0 SG B:CYS59 2.3 16.7 1.0 S2 B:FES301 2.3 11.8 1.0 FE1 B:FES301 2.7 10.5 1.0 CB B:SER55 3.1 12.0 1.0 CB B:CYS59 3.3 17.4 1.0 CA B:SER55 3.6 11.0 1.0 CA B:CYS59 3.6 17.4 1.0 N B:CYS59 3.8 17.1 1.0 N B:MET56 4.0 10.6 1.0 O B:HOH338 4.0 26.0 1.0 N B:ASN57 4.1 16.5 1.0 N B:ALA58 4.2 16.2 1.0 C B:SER55 4.2 11.0 1.0 SG B:CYS9 4.3 9.7 1.0 CA B:ASN57 4.4 17.7 1.0 SG B:CYS22 4.6 10.4 1.0 C B:ALA58 4.7 16.2 1.0 C B:ASN57 4.8 16.8 1.0 N B:SER55 4.8 10.4 1.0 C B:MET56 4.9 14.3 1.0 NH2 B:ARG13 5.0 38.8 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