Iron in PDB 1m2a: Crystal Structure at 1.5 Angstroms Resolution of the Wild Type Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus

The structure of Crystal Structure at 1.5 Angstroms Resolution of the Wild Type Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus, PDB code: 1m2a 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)	31.50 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.200, 59.800, 47.200, 90.00, 110.30, 90.00
R / Rfree (%)	18.4 / 21.6

The structure of Crystal Structure at 1.5 Angstroms Resolution of the Wild Type Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Iron atom in the Crystal Structure at 1.5 Angstroms Resolution of the Wild Type Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus (pdb code 1m2a). 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 1.5 Angstroms Resolution of the Wild Type Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus, PDB code: 1m2a:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure at 1.5 Angstroms Resolution of the Wild Type 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 1.5 Angstroms Resolution of the Wild Type Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:12.2 occ:1.00 FE1 A:FES201 0.0 12.2 1.0 S2 A:FES201 2.2 12.9 1.0 S1 A:FES201 2.2 13.3 1.0 SG A:CYS9 2.3 11.5 1.0 SG A:CYS22 2.3 12.9 1.0 FE2 A:FES201 2.7 13.5 1.0 CB A:CYS22 3.3 12.3 1.0 CB A:CYS9 3.3 8.8 1.0 N A:CYS22 3.9 12.7 1.0 CA A:CYS55 4.1 11.6 1.0 CA A:CYS22 4.2 12.7 1.0 O A:HOH318 4.3 18.9 1.0 N A:MET56 4.4 11.5 1.0 CB A:GLN11 4.5 13.6 1.0 SG A:CYS55 4.6 14.3 1.0 CA A:CYS9 4.6 9.5 1.0 CG2 A:VAL64 4.7 13.6 1.0 CB A:CYS55 4.7 13.9 1.0 SG A:CYS59 4.7 15.3 1.0 C A:CYS55 4.8 12.8 1.0 CB A:VAL64 4.8 9.3 1.0 CA A:CYS59 4.9 13.6 1.0 C A:CYS9 4.9 11.1 1.0 N A:CYS55 4.9 12.8 1.0 C A:SER21 4.9 18.3 1.0 O A:CYS9 5.0 11.0 1.0

Iron binding site 2 out of 4 in the Crystal Structure at 1.5 Angstroms Resolution of the Wild Type 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 1.5 Angstroms Resolution of the Wild Type Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:13.5 occ:1.00 FE2 A:FES201 0.0 13.5 1.0 S1 A:FES201 2.2 13.3 1.0 S2 A:FES201 2.2 12.9 1.0 SG A:CYS59 2.3 15.3 1.0 SG A:CYS55 2.3 14.3 1.0 FE1 A:FES201 2.7 12.2 1.0 CB A:CYS55 3.4 13.9 1.0 CB A:CYS59 3.4 18.4 1.0 CA A:CYS55 3.7 11.6 1.0 CA A:CYS59 3.7 13.6 1.0 N A:CYS59 3.9 16.6 1.0 NH1 A:ARG13 4.0 17.6 1.0 N A:ASN57 4.0 14.3 1.0 N A:MET56 4.0 11.5 1.0 NH2 A:ARG13 4.1 27.5 1.0 C A:CYS55 4.3 12.8 1.0 N A:ALA58 4.3 15.6 1.0 SG A:CYS9 4.4 11.5 1.0 CZ A:ARG13 4.4 25.9 1.0 CA A:ASN57 4.5 16.2 1.0 SG A:CYS22 4.6 12.9 1.0 C A:ALA58 4.7 11.9 1.0 C A:ASN57 4.8 18.6 1.0 C A:MET56 4.9 14.9 1.0 N A:CYS55 4.9 12.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure at 1.5 Angstroms Resolution of the Wild Type 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 1.5 Angstroms Resolution of the Wild Type Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:12.0 occ:1.00 FE1 B:FES202 0.0 12.0 1.0 S2 B:FES202 2.2 12.7 1.0 S1 B:FES202 2.2 13.3 1.0 SG B:CYS9 2.3 11.1 1.0 SG B:CYS22 2.3 11.5 1.0 FE2 B:FES202 2.7 13.3 1.0 CB B:CYS22 3.2 11.2 1.0 CB B:CYS9 3.3 8.7 1.0 N B:CYS22 3.9 11.4 1.0 CA B:CYS55 4.1 11.8 1.0 CA B:CYS22 4.2 11.1 1.0 O B:HOH431 4.2 18.6 1.0 N B:MET56 4.4 11.2 1.0 CB B:GLN11 4.4 12.4 1.0 SG B:CYS55 4.6 14.1 1.0 CA B:CYS9 4.6 8.6 1.0 CB B:CYS55 4.7 11.5 1.0 CG2 B:VAL64 4.7 11.2 1.0 SG B:CYS59 4.8 16.2 1.0 CA B:CYS59 4.8 13.9 1.0 C B:CYS55 4.8 11.5 1.0 CB B:VAL64 4.9 10.0 1.0 C B:CYS9 4.9 12.2 1.0 N B:CYS55 5.0 11.2 1.0 O B:CYS9 5.0 11.6 1.0 C B:SER21 5.0 14.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure at 1.5 Angstroms Resolution of the Wild Type 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 1.5 Angstroms Resolution of the Wild Type Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:13.3 occ:1.00 FE2 B:FES202 0.0 13.3 1.0 S1 B:FES202 2.2 13.3 1.0 S2 B:FES202 2.3 12.7 1.0 SG B:CYS59 2.3 16.2 1.0 SG B:CYS55 2.4 14.1 1.0 FE1 B:FES202 2.7 12.0 1.0 CB B:CYS55 3.4 11.5 1.0 CB B:CYS59 3.4 14.3 1.0 CA B:CYS55 3.7 11.8 1.0 CA B:CYS59 3.7 13.9 1.0 NH1 B:ARG13 3.9 8.0 0.5 N B:CYS59 3.9 13.7 1.0 NH2 B:ARG13 3.9 21.9 0.5 N B:MET56 4.0 11.2 1.0 N B:ASN57 4.0 14.1 1.0 N B:ALA58 4.3 16.1 1.0 C B:CYS55 4.3 11.5 1.0 CZ B:ARG13 4.3 20.5 0.5 SG B:CYS9 4.4 11.1 1.0 CA B:ASN57 4.5 16.8 1.0 SG B:CYS22 4.6 11.5 1.0 C B:ALA58 4.7 15.0 1.0 C B:ASN57 4.9 21.9 1.0 C B:MET56 4.9 13.9 1.0 N B:CYS55 5.0 11.2 1.0 O B:HOH431 5.0 18.6 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