Iron in the structure of Crystal Structure of Hbps (pdb 3fpv)

The binding sites of Iron atom in the structure of Crystal Structure of Hbps (pdb code 3fpv). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 3fpv structure was solved by D.ORTIZ DE ORUE LUCANA, G.BOGEL, P.ZOU, M.R.GROVES, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.9-2.2 Space group P213 a (A) 152.522 b (A) 152.522 c (A) 152.522 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.1 Rfree (%) 26.4 Iron Binding Sites: Iron binding site 1 out of 8 in 3fpv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3fpv. 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: Gln75, A: Ser76, A: Ser79, A: Ala135, A: Gly136, G: Trp90, G: Ile110, A: Hoh385, A: Hoh439, G: Hoh850, conact list: Atom Atom Distance (A) Fe O A:Gln75 4.36 Fe OE1 A:Gln75 3.11 Fe CB A:Gln75 4.89 Fe CD A:Gln75 3.73 Fe C A:Gln75 4.48 Fe CG A:Gln75 3.54 Fe N A:Ser76 4.42 Fe CB A:Ser76 4.29 Fe CA A:Ser76 3.93 Fe CB A:Ser79 3.56 Fe OG A:Ser79 3.29 Fe C A:Ala135 4.54 Fe CB A:Ala135 3.62 Fe CA A:Ala135 4.47 Fe N A:Gly136 4.20 Fe CA A:Gly136 4.49 Fe CZ2 G:Trp90 4.17 Fe CE2 G:Trp90 4.90 Fe NE1 G:Trp90 4.93 Fe CD1 G:Ile110 3.81 Fe CG2 G:Ile110 4.50 Fe CG1 G:Ile110 4.46 Fe O A:Hoh385 3.39 Fe O A:Hoh439 4.62 Fe O G:Hoh850 3.42 interactive model: Iron binding site 2 out of 8 in 3fpv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3fpv. 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: Gln75, B: Ser76, B: Ser79, B: Ala135, B: Gly136, F: Trp90, F: Ile110, B: Hoh383, B: Hoh557, F: Hoh613, conact list: Atom Atom Distance (A) Fe O B:Gln75 4.65 Fe OE1 B:Gln75 3.18 Fe CB B:Gln75 4.91 Fe CD B:Gln75 3.78 Fe C B:Gln75 4.67 Fe CG B:Gln75 3.53 Fe N B:Ser76 4.52 Fe CB B:Ser76 4.28 Fe CA B:Ser76 3.96 Fe CB B:Ser79 3.56 Fe OG B:Ser79 3.25 Fe C B:Ala135 4.51 Fe CB B:Ala135 3.52 Fe CA B:Ala135 4.40 Fe N B:Gly136 4.25 Fe CA B:Gly136 4.50 Fe CZ2 F:Trp90 4.08 Fe CE2 F:Trp90 4.86 Fe NE1 F:Trp90 4.94 Fe CH2 F:Trp90 4.90 Fe CD1 F:Ile110 3.83 Fe CG2 F:Ile110 4.58 Fe CG1 F:Ile110 4.52 Fe O B:Hoh383 2.98 Fe O B:Hoh557 4.56 Fe O F:Hoh613 3.17 interactive model: Iron binding site 3 out of 8 in 3fpv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 3fpv. 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: Gln75, C: Ser76, C: Ser79, C: Ala135, C: Gly136, D: Trp90, D: Ile110, C: Hoh440, conact list: Atom Atom Distance (A) Fe O C:Gln75 4.47 Fe OE1 C:Gln75 3.26 Fe CB C:Gln75 4.73 Fe CD C:Gln75 3.76 Fe C C:Gln75 4.54 Fe CG C:Gln75 3.38 Fe N C:Ser76 4.52 Fe CB C:Ser76 4.31 Fe CA C:Ser76 4.02 Fe CB C:Ser79 3.49 Fe OG C:Ser79 3.23 Fe C C:Ala135 4.74 Fe CB C:Ala135 3.80 Fe CA C:Ala135 4.64 Fe N C:Gly136 4.46 Fe CA C:Gly136 4.61 Fe CZ2 D:Trp90 4.09 Fe CE2 D:Trp90 4.82 Fe NE1 D:Trp90 4.87 Fe CH2 D:Trp90 4.93 Fe CD1 D:Ile110 3.60 Fe CG2 D:Ile110 4.28 Fe CG1 D:Ile110 4.43 Fe O C:Hoh440 4.45 interactive model: Iron binding site 4 out of 8 in 3fpv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 3fpv. 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: Trp90, B: Ile110, D: Gln75, D: Ser76, D: Ser79, D: Lys83, D: Ala135, D: Gly136, D: Hoh386, D: Hoh624, conact list: Atom Atom Distance (A) Fe CZ2 B:Trp90 4.31 Fe CD1 B:Ile110 3.77 Fe CG2 B:Ile110 4.48 Fe CG1 B:Ile110 4.41 Fe O D:Gln75 4.55 Fe OE1 D:Gln75 3.32 Fe CB D:Gln75 4.97 Fe CD D:Gln75 3.91 Fe C D:Gln75 4.64 Fe CG D:Gln75 3.63 Fe N D:Ser76 4.55 Fe CB D:Ser76 4.45 Fe CA D:Ser76 4.04 Fe CB D:Ser79 3.53 Fe OG D:Ser79 3.25 Fe NZ D:Lys83 4.97 Fe C D:Ala135 4.55 Fe CB D:Ala135 3.60 Fe CA D:Ala135 4.45 Fe N D:Gly136 4.42 Fe CA D:Gly136 4.50 Fe O D:Hoh386 3.11 Fe O D:Hoh624 4.65 interactive model: Iron binding site 5 out of 8 in 3fpv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 3fpv. 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: E: Gln75, E: Ser76, E: Ser79, E: Lys83, E: Ala135, E: Gly136, H: Trp90, H: Ile110, conact list: Atom Atom Distance (A) Fe O E:Gln75 4.74 Fe OE1 E:Gln75 3.22 Fe CD E:Gln75 3.85 Fe C E:Gln75 4.73 Fe CG E:Gln75 3.66 Fe N E:Ser76 4.51 Fe CB E:Ser76 4.11 Fe C E:Ser76 4.95 Fe CA E:Ser76 3.87 Fe CB E:Ser79 3.72 Fe OG E:Ser79 3.36 Fe NZ E:Lys83 4.86 Fe O E:Ala135 4.95 Fe C E:Ala135 4.29 Fe CB E:Ala135 3.37 Fe CA E:Ala135 4.22 Fe N E:Gly136 4.20 Fe CA E:Gly136 4.11 Fe CZ2 H:Trp90 4.67 Fe CD1 H:Ile110 4.01 Fe CG2 H:Ile110 4.81 Fe CG1 H:Ile110 4.73 interactive model: Iron binding site 6 out of 8 in 3fpv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 3fpv. 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: E: Trp90, E: Ile110, G: Gln75, G: Ser76, G: Ser79, G: Lys83, G: Ala135, G: Gly136, G: Hoh1190, conact list: Atom Atom Distance (A) Fe CZ2 E:Trp90 3.79 Fe CE2 E:Trp90 4.71 Fe NE1 E:Trp90 4.96 Fe CH2 E:Trp90 4.49 Fe CD1 E:Ile110 3.40 Fe CG2 E:Ile110 4.50 Fe CG1 E:Ile110 4.45 Fe O G:Gln75 4.73 Fe OE1 G:Gln75 3.64 Fe CB G:Gln75 4.89 Fe CD G:Gln75 4.07 Fe C G:Gln75 4.83 Fe CG G:Gln75 3.56 Fe N G:Ser76 4.84 Fe CB G:Ser76 4.68 Fe CA G:Ser76 4.32 Fe CB G:Ser79 3.56 Fe OG G:Ser79 3.20 Fe NZ G:Lys83 4.72 Fe C G:Ala135 4.68 Fe CB G:Ala135 3.60 Fe CA G:Ala135 4.50 Fe N G:Gly136 4.41 Fe CA G:Gly136 4.62 Fe O G:Hoh1190 3.93 interactive model: Iron binding site 7 out of 8 in 3fpv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Iron in the PDB 3fpv. 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: Trp90, C: Ile110, F: Gln75, F: Ser76, F: Ser79, F: Ala135, F: Gly136, F: Hoh705, conact list: Atom Atom Distance (A) Fe CZ2 C:Trp90 4.48 Fe CD1 C:Ile110 3.86 Fe CG2 C:Ile110 4.52 Fe CG1 C:Ile110 4.43 Fe O F:Gln75 4.43 Fe OE1 F:Gln75 3.31 Fe CB F:Gln75 4.84 Fe CD F:Gln75 3.85 Fe C F:Gln75 4.53 Fe CG F:Gln75 3.50 Fe N F:Ser76 4.47 Fe CB F:Ser76 4.35 Fe C F:Ser76 4.98 Fe CA F:Ser76 3.93 Fe CB F:Ser79 3.44 Fe OG F:Ser79 3.15 Fe CA F:Ser79 4.96 Fe C F:Ala135 4.51 Fe CB F:Ala135 3.60 Fe CA F:Ala135 4.44 Fe N F:Gly136 4.30 Fe CA F:Gly136 4.33 Fe O F:Hoh705 2.99 interactive model: Iron binding site 8 out of 8 in 3fpv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Iron in the PDB 3fpv. 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: Trp90, A: Ile110, H: Gln75, H: Ser76, H: Ser79, H: Lys83, H: Ala135, H: Gly136, H: Hoh1029, conact list: Atom Atom Distance (A) Fe CZ2 A:Trp90 4.17 Fe CE2 A:Trp90 4.97 Fe CH2 A:Trp90 4.89 Fe CD1 A:Ile110 3.70 Fe CG2 A:Ile110 4.45 Fe CG1 A:Ile110 4.33 Fe O H:Gln75 4.43 Fe OE1 H:Gln75 3.14 Fe CB H:Gln75 4.87 Fe CD H:Gln75 3.74 Fe C H:Gln75 4.55 Fe CG H:Gln75 3.50 Fe N H:Ser76 4.51 Fe CB H:Ser76 4.38 Fe CA H:Ser76 4.01 Fe CB H:Ser79 3.44 Fe OG H:Ser79 3.13 Fe CA H:Ser79 4.96 Fe NZ H:Lys83 4.99 Fe C H:Ala135 4.73 Fe CB H:Ala135 3.61 Fe CA H:Ala135 4.55 Fe N H:Gly136 4.54 Fe CA H:Gly136 4.80 Fe O H:Hoh1029 4.90 interactive model: