Iron in the structure of Crystal Structure At 1.5 Angstroms Resolution of the Wild Type Thioredoxin-Like [2FE-2S] Ferredoxin From Aquifex Aeolicus (pdb 1m2a)

The binding sites of Iron atom in 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). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1m2a structure 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, brief refinement statistics is given in the table below: Resolution (A) 31.5-1.5 Space group C121 a (A) 67.200 b (A) 59.800 c (A) 47.200 alpha (°) 90.00 beta (°) 110.30 gamma (°) 90.00 Rfactor (%) 18.4 Rfree (%) 21.6 Iron Binding Sites: Iron binding site 1 out of 4 in 1m2a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1m2a. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Cys9, A: Gln11, A: Ser21, A: Cys22, A: Cys55, A: Met56, A: Cys59, A: Val64, A: Fes201, A: Hoh318, conact list: Atom Atom Distance (A) Fe O A:Cys9 4.97 Fe CB A:Cys9 3.28 Fe SG A:Cys9 2.27 Fe C A:Cys9 4.88 Fe CA A:Cys9 4.62 Fe CB A:Gln11 4.47 Fe C A:Ser21 4.94 Fe N A:Cys22 3.87 Fe CB A:Cys22 3.26 Fe SG A:Cys22 2.31 Fe CA A:Cys22 4.16 Fe N A:Cys55 4.92 Fe CB A:Cys55 4.68 Fe SG A:Cys55 4.58 Fe C A:Cys55 4.82 Fe CA A:Cys55 4.09 Fe N A:Met56 4.35 Fe SG A:Cys59 4.74 Fe CA A:Cys59 4.87 Fe CB A:Val64 4.83 Fe CG2 A:Val64 4.66 Fe S1 A:Fes201 2.24 Fe S2 A:Fes201 2.21 Fe FE1 A:Fes201 0.00 Fe FE2 A:Fes201 2.74 Fe O A:Hoh318 4.28 interactive model: Iron binding site 2 out of 4 in 1m2a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1m2a. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Cys9, A: Arg13, A: Cys22, A: Cys55, A: Met56, A: Asn57, A: Ala58, A: Cys59, A: Fes201, conact list: Atom Atom Distance (A) Fe SG A:Cys9 4.41 Fe CZ A:Arg13 4.45 Fe NH2 A:Arg13 4.08 Fe NH1 A:Arg13 3.96 Fe SG A:Cys22 4.61 Fe N A:Cys55 4.93 Fe CB A:Cys55 3.36 Fe SG A:Cys55 2.34 Fe C A:Cys55 4.26 Fe CA A:Cys55 3.67 Fe N A:Met56 4.02 Fe C A:Met56 4.88 Fe N A:Asn57 3.99 Fe C A:Asn57 4.85 Fe CA A:Asn57 4.49 Fe N A:Ala58 4.27 Fe C A:Ala58 4.72 Fe N A:Cys59 3.90 Fe CB A:Cys59 3.45 Fe SG A:Cys59 2.29 Fe CA A:Cys59 3.72 Fe S1 A:Fes201 2.23 Fe S2 A:Fes201 2.25 Fe FE1 A:Fes201 2.74 Fe FE2 A:Fes201 0.00 interactive model: Iron binding site 3 out of 4 in 1m2a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1m2a. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Cys9, B: Gln11, B: Ser21, B: Cys22, B: Cys55, B: Met56, B: Cys59, B: Val64, B: Fes202, B: Hoh431, conact list: Atom Atom Distance (A) Fe O B:Cys9 4.99 Fe CB B:Cys9 3.26 Fe SG B:Cys9 2.26 Fe C B:Cys9 4.90 Fe CA B:Cys9 4.61 Fe CB B:Gln11 4.43 Fe C B:Ser21 5.00 Fe N B:Cys22 3.92 Fe CB B:Cys22 3.23 Fe SG B:Cys22 2.28 Fe CA B:Cys22 4.20 Fe N B:Cys55 4.96 Fe CB B:Cys55 4.70 Fe SG B:Cys55 4.57 Fe C B:Cys55 4.82 Fe CA B:Cys55 4.10 Fe N B:Met56 4.39 Fe SG B:Cys59 4.76 Fe CA B:Cys59 4.82 Fe CB B:Val64 4.87 Fe CG2 B:Val64 4.72 Fe S1 B:Fes202 2.22 Fe S2 B:Fes202 2.19 Fe FE1 B:Fes202 0.00 Fe FE2 B:Fes202 2.72 Fe O B:Hoh431 4.23 interactive model: Iron binding site 4 out of 4 in 1m2a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1m2a. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Cys9, B: Arg13, B: Cys22, B: Cys55, B: Met56, B: Asn57, B: Ala58, B: Cys59, B: Fes202, B: Hoh431, conact list: Atom Atom Distance (A) Fe SG B:Cys9 4.37 Fe CZ B:Arg13 4.34 Fe NH2 B:Arg13 3.94 Fe NH1 B:Arg13 3.88 Fe SG B:Cys22 4.58 Fe N B:Cys55 4.96 Fe CB B:Cys55 3.39 Fe SG B:Cys55 2.37 Fe C B:Cys55 4.28 Fe CA B:Cys55 3.67 Fe N B:Met56 3.99 Fe C B:Met56 4.90 Fe N B:Asn57 4.01 Fe C B:Asn57 4.89 Fe CA B:Asn57 4.54 Fe N B:Ala58 4.26 Fe C B:Ala58 4.71 Fe N B:Cys59 3.89 Fe CB B:Cys59 3.42 Fe SG B:Cys59 2.33 Fe CA B:Cys59 3.73 Fe S1 B:Fes202 2.24 Fe S2 B:Fes202 2.25 Fe FE1 B:Fes202 2.72 Fe FE2 B:Fes202 0.00 Fe O B:Hoh431 4.96 interactive model: