Iron in the structure of Structures of Iron-Dependent Alcohol Dehydrogenase 2 From Zymomonas Mobilis ZM4 Complexed With Nad Cofactor (pdb 3ox4)

The binding sites of Iron atom in the structure of Structures of Iron-Dependent Alcohol Dehydrogenase 2 From Zymomonas Mobilis ZM4 Complexed With Nad Cofactor (pdb code 3ox4). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 3ox4 structure was solved by J.H.MOON, H.J.LEE, J.M.SONG, S.Y.PARK, M.Y.PARK, H.M.PARK, J.SUN, J.H.PARK, J.S.KIM, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 28.8-2.0 Space group P1211 a (A) 60.514 b (A) 86.965 c (A) 124.475 alpha (°) 90.00 beta (°) 94.83 gamma (°) 90.00 Rfactor (%) 21.2 Rfree (%) 25.2 Iron Binding Sites: Iron binding site 1 out of 4 in 3ox4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3ox4. 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: Asp194, A: His198, A: Leu259, A: His263, A: His277, A: Asn281, A: Nad1385, conact list: Atom Atom Distance (A) Fe O A:Asp194 4.46 Fe CB A:Asp194 4.29 Fe OD2 A:Asp194 2.85 Fe C A:Asp194 4.90 Fe OD1 A:Asp194 2.15 Fe CG A:Asp194 2.82 Fe CA A:Asp194 4.82 Fe NE2 A:His198 2.17 Fe ND1 A:His198 4.22 Fe CD2 A:His198 3.06 Fe CE1 A:His198 3.17 Fe CG A:His198 4.21 Fe CD1 A:Leu259 4.94 Fe NE2 A:His263 2.08 Fe ND1 A:His263 4.20 Fe CD2 A:His263 3.02 Fe CE1 A:His263 3.11 Fe CG A:His263 4.19 Fe NE2 A:His277 2.48 Fe ND1 A:His277 4.60 Fe CD2 A:His277 3.34 Fe CE1 A:His277 3.52 Fe CG A:His277 4.55 Fe ND2 A:Asn281 4.75 Fe OD1 A:Asn281 4.12 Fe CG A:Asn281 4.49 Fe C6N A:Nad1385 4.12 Fe C3N A:Nad1385 4.97 Fe C5N A:Nad1385 3.12 Fe C4N A:Nad1385 3.67 interactive model: Iron binding site 2 out of 4 in 3ox4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3ox4. 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: Asp194, B: His198, B: His263, B: His277, B: Asn281, B: Nad1385, conact list: Atom Atom Distance (A) Fe O B:Asp194 4.34 Fe CB B:Asp194 4.29 Fe OD2 B:Asp194 2.96 Fe C B:Asp194 4.81 Fe OD1 B:Asp194 2.06 Fe CG B:Asp194 2.85 Fe CA B:Asp194 4.79 Fe NE2 B:His198 2.17 Fe ND1 B:His198 4.18 Fe CD2 B:His198 3.09 Fe CE1 B:His198 3.11 Fe CG B:His198 4.20 Fe NE2 B:His263 2.10 Fe ND1 B:His263 4.22 Fe CD2 B:His263 2.96 Fe CE1 B:His263 3.17 Fe CG B:His263 4.16 Fe NE2 B:His277 2.24 Fe ND1 B:His277 4.30 Fe CD2 B:His277 3.22 Fe CE1 B:His277 3.18 Fe CG B:His277 4.35 Fe ND2 B:Asn281 4.95 Fe OD1 B:Asn281 4.04 Fe CG B:Asn281 4.53 Fe C6N B:Nad1385 4.11 Fe C5N B:Nad1385 3.49 Fe C4N B:Nad1385 4.56 interactive model: Iron binding site 3 out of 4 in 3ox4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 3ox4. 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: C: Asp194, C: His198, C: His263, C: His277, C: Asn281, C: Nad1385, conact list: Atom Atom Distance (A) Fe O C:Asp194 4.37 Fe CB C:Asp194 4.26 Fe OD2 C:Asp194 2.81 Fe C C:Asp194 4.86 Fe OD1 C:Asp194 2.12 Fe CG C:Asp194 2.79 Fe CA C:Asp194 4.86 Fe NE2 C:His198 2.27 Fe ND1 C:His198 4.35 Fe CD2 C:His198 3.09 Fe CE1 C:His198 3.32 Fe CG C:His198 4.27 Fe NE2 C:His263 2.14 Fe ND1 C:His263 4.26 Fe CD2 C:His263 3.01 Fe CE1 C:His263 3.21 Fe CG C:His263 4.21 Fe NE2 C:His277 3.28 Fe ND1 C:His277 3.73 Fe CD2 C:His277 4.15 Fe CE1 C:His277 2.98 Fe CG C:His277 4.39 Fe OD1 C:Asn281 3.42 Fe CG C:Asn281 4.52 Fe C6N C:Nad1385 4.23 Fe C3N C:Nad1385 4.61 Fe C5N C:Nad1385 3.17 Fe C4N C:Nad1385 3.41 interactive model: Iron binding site 4 out of 4 in 3ox4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 3ox4. 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: D: Asp194, D: His198, D: His263, D: His277, D: Asn281, D: Nad1385, conact list: Atom Atom Distance (A) Fe O D:Asp194 4.40 Fe CB D:Asp194 4.31 Fe OD2 D:Asp194 2.93 Fe C D:Asp194 4.83 Fe OD1 D:Asp194 2.11 Fe CG D:Asp194 2.86 Fe CA D:Asp194 4.82 Fe NE2 D:His198 2.20 Fe ND1 D:His198 4.09 Fe CD2 D:His198 3.14 Fe CE1 D:His198 3.03 Fe CG D:His198 4.18 Fe NE2 D:His263 2.15 Fe ND1 D:His263 4.28 Fe CD2 D:His263 3.01 Fe CE1 D:His263 3.23 Fe CG D:His263 4.21 Fe NE2 D:His277 2.32 Fe ND1 D:His277 4.40 Fe CD2 D:His277 3.20 Fe CE1 D:His277 3.33 Fe CG D:His277 4.37 Fe ND2 D:Asn281 4.96 Fe OD1 D:Asn281 3.97 Fe CG D:Asn281 4.53 Fe N1N D:Nad1385 4.87 Fe C6N D:Nad1385 3.99 Fe C3N D:Nad1385 4.37 Fe C5N D:Nad1385 3.14 Fe C4N D:Nad1385 3.37 interactive model: