Zinc 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:

Iron

(Fe)

4 atoms

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc 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 Zinc binding site number: 1; 2; 3; 4;

Zinc 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 Zinc with other atoms in the Zn 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:Zn301 b:52.3 occ:1.00 OD2 A:ASP83 2.2 40.8 1.0 OD1 A:ASP83 2.7 34.4 1.0 CG A:ASP83 2.8 32.3 1.0 O A:HOH326 4.0 43.8 1.0 CB A:ASP83 4.2 23.4 1.0 O A:HOH379 4.3 50.2 1.0 O A:HOH328 4.5 26.2 1.0 CD A:LYS37 4.6 40.5 1.0 NZ A:LYS37 4.8 42.6 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn302 b:28.2 occ:1.00 ND1 A:HIS17 2.1 22.4 1.0 O A:HOH385 2.1 34.2 1.0 O A:HOH386 2.2 40.5 1.0 CE1 A:HIS17 3.0 29.5 1.0 CG A:HIS17 3.2 27.0 1.0 CB A:HIS17 3.6 24.2 1.0 CA A:HIS17 3.9 21.5 1.0 NE2 A:HIS17 4.2 24.4 1.0 CD2 A:HIS17 4.3 25.8 1.0 CD A:PRO18 4.6 26.8 1.0 N A:HIS17 4.7 26.2 1.0 O A:HOH338 4.8 41.6 1.0 CD A:ARG13 4.9 30.5 1.0

Zinc 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 Zinc with other atoms in the Zn 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 A:Zn303 b:43.3 occ:1.00 OD2 A:ASP12 2.1 29.4 1.0 OD1 A:ASP12 2.4 24.0 1.0 CG A:ASP12 2.6 21.9 1.0 CG A:GLN24 4.0 28.6 1.0 CB A:ASP12 4.1 22.0 1.0 O A:ARG13 4.2 22.6 1.0 O A:HOH363 4.8 79.9 1.0 CA A:GLN24 4.9 18.5 1.0 N A:GLN24 4.9 16.3 1.0 CD A:GLN24 4.9 38.5 1.0 N A:ARG13 5.0 17.2 1.0 CA A:ASP12 5.0 18.4 1.0

Zinc 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 Zinc with other atoms in the Zn 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 A:Zn304 b:24.6 occ:1.00 OE1 A:GLU97 1.9 16.6 1.0 O A:HOH373 2.2 54.4 1.0 CD A:GLU97 2.7 21.9 1.0 OE2 A:GLU97 3.0 32.4 1.0 CG A:GLU97 4.1 14.5 1.0 O A:HOH396 4.7 28.5 0.5 O A:HOH395 4.8 26.8 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