Iron in the structure of Structure of the Bacteriophage T4 Long Tail Fibre Needle- Shaped Receptor-Binding Tip (pdb 2xgf)

The binding sites of Iron atom in the structure of Structure of the Bacteriophage T4 Long Tail Fibre Needle- Shaped Receptor-Binding Tip (pdb code 2xgf). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2xgf structure was solved by S.G.BARTUAL, J.M.OTERO, C.GARCIA-DOVAL, A.L.LLAMAS-SAIZ, R.KAHN, G.C.FOX, M.J.VAN RAAIJ, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 22.0-2.2 Space group C121 a (A) 157.340 b (A) 53.980 c (A) 112.750 alpha (°) 90.00 beta (°) 100.43 gamma (°) 90.00 Rfactor (%) 17.933 Rfree (%) 23.813 Iron Binding Sites: Iron binding site 1 out of 7 in 2xgf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2xgf. 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: His883, A: His885, B: His883, B: His885, C: His883, C: His885, conact list: Atom Atom Distance (A) Fe NE2 A:His883 2.34 Fe ND1 A:His883 4.41 Fe CD2 A:His883 3.31 Fe CE1 A:His883 3.29 Fe CG A:His883 4.46 Fe NE2 A:His885 2.36 Fe ND1 A:His885 4.39 Fe CD2 A:His885 3.32 Fe CE1 A:His885 3.28 Fe CG A:His885 4.44 Fe NE2 B:His883 2.30 Fe ND1 B:His883 4.38 Fe CD2 B:His883 3.19 Fe CE1 B:His883 3.30 Fe CG B:His883 4.36 Fe NE2 B:His885 2.29 Fe ND1 B:His885 4.37 Fe CD2 B:His885 3.27 Fe CE1 B:His885 3.24 Fe CG B:His885 4.41 Fe NE2 C:His883 2.30 Fe ND1 C:His883 4.40 Fe CD2 C:His883 3.22 Fe CE1 C:His883 3.31 Fe CG C:His883 4.39 Fe NE2 C:His885 2.27 Fe ND1 C:His885 4.33 Fe CD2 C:His885 3.30 Fe CE1 C:His885 3.19 Fe CG C:His885 4.42 interactive model: Iron binding site 2 out of 7 in 2xgf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2xgf. 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: His998, A: His1000, B: His998, B: His1000, C: His998, C: His1000, conact list: Atom Atom Distance (A) Fe NE2 A:His998 2.33 Fe ND1 A:His998 4.33 Fe CD2 A:His998 3.40 Fe CE1 A:His998 3.15 Fe CG A:His998 4.48 Fe NE2 A:His1000 2.36 Fe ND1 A:His1000 4.45 Fe CD2 A:His1000 3.28 Fe CE1 A:His1000 3.35 Fe CG A:His1000 4.45 Fe NE2 B:His998 2.32 Fe ND1 B:His998 4.41 Fe CD2 B:His998 3.26 Fe CE1 B:His998 3.30 Fe CG B:His998 4.42 Fe NE2 B:His1000 2.28 Fe ND1 B:His1000 4.36 Fe CD2 B:His1000 3.19 Fe CE1 B:His1000 3.28 Fe CG B:His1000 4.35 Fe NE2 C:His998 2.22 Fe ND1 C:His998 4.34 Fe CD2 C:His998 3.09 Fe CE1 C:His998 3.28 Fe CG C:His998 4.29 Fe NE2 C:His1000 2.25 Fe ND1 C:His1000 4.35 Fe CD2 C:His1000 3.21 Fe CE1 C:His1000 3.23 Fe CG C:His1000 4.37 interactive model: Iron binding site 3 out of 7 in 2xgf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2xgf. 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: His989, A: His991, B: His989, B: His991, C: His989, C: His991, conact list: Atom Atom Distance (A) Fe NE2 A:His989 2.32 Fe ND1 A:His989 4.40 Fe CD2 A:His989 3.27 Fe CE1 A:His989 3.29 Fe CG A:His989 4.42 Fe NE2 A:His991 2.29 Fe ND1 A:His991 4.40 Fe CD2 A:His991 3.19 Fe CE1 A:His991 3.32 Fe CG A:His991 4.37 Fe NE2 B:His989 2.30 Fe ND1 B:His989 4.35 Fe CD2 B:His989 3.26 Fe CE1 B:His989 3.25 Fe CG B:His989 4.39 Fe NE2 B:His991 2.40 Fe ND1 B:His991 4.53 Fe CD2 B:His991 3.19 Fe CE1 B:His991 3.50 Fe CG B:His991 4.43 Fe NE2 C:His989 2.32 Fe ND1 C:His989 4.40 Fe CD2 C:His989 3.30 Fe CE1 C:His989 3.27 Fe CG C:His989 4.45 Fe NE2 C:His991 2.28 Fe ND1 C:His991 4.36 Fe CD2 C:His991 3.24 Fe CE1 C:His991 3.25 Fe CG C:His991 4.39 interactive model: Iron binding site 4 out of 7 in 2xgf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2xgf. 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: His980, A: His982, B: His980, B: His982, C: His980, C: His982, conact list: Atom Atom Distance (A) Fe NE2 A:His980 2.28 Fe ND1 A:His980 4.31 Fe CD2 A:His980 3.34 Fe CE1 A:His980 3.15 Fe CG A:His980 4.44 Fe NE2 A:His982 2.28 Fe ND1 A:His982 4.39 Fe CD2 A:His982 3.13 Fe CE1 A:His982 3.33 Fe CG A:His982 4.33 Fe NE2 B:His980 2.20 Fe ND1 B:His980 4.23 Fe CD2 B:His980 3.23 Fe CE1 B:His980 3.09 Fe CG B:His980 4.33 Fe NE2 B:His982 2.31 Fe ND1 B:His982 4.41 Fe CD2 B:His982 3.20 Fe CE1 B:His982 3.33 Fe CG B:His982 4.38 Fe NE2 C:His980 2.37 Fe ND1 C:His980 4.41 Fe CD2 C:His980 3.40 Fe CE1 C:His980 3.25 Fe CG C:His980 4.51 Fe NE2 C:His982 2.37 Fe ND1 C:His982 4.47 Fe CD2 C:His982 3.23 Fe CE1 C:His982 3.40 Fe CG C:His982 4.42 interactive model: Iron binding site 5 out of 7 in 2xgf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 2xgf. 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: His915, A: His917, B: His915, B: His917, C: His915, C: His917, conact list: Atom Atom Distance (A) Fe NE2 A:His915 2.39 Fe ND1 A:His915 4.38 Fe CD2 A:His915 3.42 Fe CE1 A:His915 3.23 Fe CG A:His915 4.51 Fe NE2 A:His917 2.24 Fe ND1 A:His917 4.35 Fe CD2 A:His917 3.11 Fe CE1 A:His917 3.28 Fe CG A:His917 4.31 Fe NE2 B:His915 2.25 Fe ND1 B:His915 4.31 Fe CD2 B:His915 3.27 Fe CE1 B:His915 3.16 Fe CG B:His915 4.39 Fe NE2 B:His917 2.33 Fe ND1 B:His917 4.43 Fe CD2 B:His917 3.29 Fe CE1 B:His917 3.31 Fe CG B:His917 4.45 Fe NE2 C:His915 2.29 Fe ND1 C:His915 4.36 Fe CD2 C:His915 3.30 Fe CE1 C:His915 3.22 Fe CG C:His915 4.43 Fe NE2 C:His917 2.36 Fe ND1 C:His917 4.47 Fe CD2 C:His917 3.26 Fe CE1 C:His917 3.38 Fe CG C:His917 4.45 interactive model: Iron binding site 6 out of 7 in 2xgf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 2xgf. 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: His966, A: His968, B: His966, B: His968, C: His966, C: His968, conact list: Atom Atom Distance (A) Fe NE2 A:His966 2.27 Fe ND1 A:His966 4.28 Fe CD2 A:His966 3.33 Fe CE1 A:His966 3.12 Fe CG A:His966 4.42 Fe NE2 A:His968 2.36 Fe ND1 A:His968 4.45 Fe CD2 A:His968 3.27 Fe CE1 A:His968 3.36 Fe CG A:His968 4.45 Fe NE2 B:His966 2.32 Fe ND1 B:His966 4.37 Fe CD2 B:His966 3.35 Fe CE1 B:His966 3.22 Fe CG B:His966 4.47 Fe NE2 B:His968 2.21 Fe ND1 B:His968 4.28 Fe CD2 B:His968 3.22 Fe CE1 B:His968 3.15 Fe CG B:His968 4.35 Fe NE2 C:His966 2.32 Fe ND1 C:His966 4.35 Fe CD2 C:His966 3.35 Fe CE1 C:His966 3.21 Fe CG C:His966 4.45 Fe NE2 C:His968 2.36 Fe ND1 C:His968 4.44 Fe CD2 C:His968 3.32 Fe CE1 C:His968 3.32 Fe CG C:His968 4.47 interactive model: Iron binding site 7 out of 7 in 2xgf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Iron in the PDB 2xgf. 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: His929, A: His931, B: His929, B: His931, C: His929, C: His931, conact list: Atom Atom Distance (A) Fe NE2 A:His929 2.29 Fe ND1 A:His929 4.30 Fe CD2 A:His929 3.34 Fe CE1 A:His929 3.14 Fe CG A:His929 4.43 Fe NE2 A:His931 2.52 Fe ND1 A:His931 4.63 Fe CD2 A:His931 3.36 Fe CE1 A:His931 3.56 Fe CG A:His931 4.57 Fe NE2 B:His929 2.19 Fe ND1 B:His929 4.22 Fe CD2 B:His929 3.25 Fe CE1 B:His929 3.06 Fe CG B:His929 4.34 Fe NE2 B:His931 2.29 Fe ND1 B:His931 4.42 Fe CD2 B:His931 3.11 Fe CE1 B:His931 3.38 Fe CG B:His931 4.33 Fe NE2 C:His929 2.40 Fe ND1 C:His929 4.43 Fe CD2 C:His929 3.43 Fe CE1 C:His929 3.27 Fe CG C:His929 4.54 Fe NE2 C:His931 2.25 Fe ND1 C:His931 4.34 Fe CD2 C:His931 3.19 Fe CE1 C:His931 3.24 Fe CG C:His931 4.35 interactive model: