Iron in the structure of Crystal Structure of Feii Hppe in Complex With Substrate Form 2 (pdb 1zz8)

The binding sites of Iron atom in the structure of Crystal Structure of Feii Hppe in Complex With Substrate Form 2 (pdb code 1zz8). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1zz8 structure was solved by L.J.HIGGINS, F.YAN, P.LIU, H.W.LIU, C.L.DRENNAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-2.3 Space group P42212 a (A) 111.649 b (A) 111.649 c (A) 152.069 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.5 Rfree (%) 25.2 Iron Binding Sites: Iron binding site 1 out of 3 in 1zz8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1zz8. 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: Asn135, A: His138, A: Glu142, A: His180, A: Asn197, A: S0h1001, A: Hoh1039, B: Hoh1031, conact list: Atom Atom Distance (A) Fe ND2 A:Asn135 4.14 Fe NE2 A:His138 2.37 Fe ND1 A:His138 4.52 Fe CD2 A:His138 3.08 Fe CE1 A:His138 3.53 Fe CG A:His138 4.34 Fe OE1 A:Glu142 3.46 Fe CB A:Glu142 4.83 Fe OE2 A:Glu142 2.15 Fe CD A:Glu142 3.15 Fe CG A:Glu142 4.52 Fe NE2 A:His180 2.40 Fe ND1 A:His180 4.45 Fe CD2 A:His180 3.46 Fe CE1 A:His180 3.28 Fe CG A:His180 4.57 Fe OD1 A:Asn197 4.37 Fe O15 A:S0h1001 4.38 Fe O13 A:S0h1001 3.89 Fe P1 A:S0h1001 3.26 Fe O14 A:S0h1001 2.07 Fe C1 A:S0h1001 4.42 Fe C3 A:S0h1001 3.43 Fe C2 A:S0h1001 3.61 Fe O6 A:S0h1001 2.60 Fe O A:Hoh1039 2.97 Fe O B:Hoh1031 3.86 interactive model: Iron binding site 2 out of 3 in 1zz8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1zz8. 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: Asn135, B: His138, B: Glu142, B: His180, B: Asn197, B: S0h1003, conact list: Atom Atom Distance (A) Fe ND2 B:Asn135 4.11 Fe NE2 B:His138 2.34 Fe ND1 B:His138 4.46 Fe CD2 B:His138 3.18 Fe CE1 B:His138 3.40 Fe CG B:His138 4.39 Fe OE1 B:Glu142 2.07 Fe CB B:Glu142 4.70 Fe OE2 B:Glu142 3.29 Fe CD B:Glu142 3.02 Fe CG B:Glu142 4.40 Fe NE2 B:His180 2.30 Fe ND1 B:His180 4.35 Fe CD2 B:His180 3.33 Fe CE1 B:His180 3.20 Fe CG B:His180 4.45 Fe OD1 B:Asn197 4.51 Fe O15 B:S0h1003 1.95 Fe O13 B:S0h1003 4.41 Fe P1 B:S0h1003 3.25 Fe O14 B:S0h1003 3.72 Fe C1 B:S0h1003 4.43 Fe C3 B:S0h1003 3.50 Fe C2 B:S0h1003 3.71 Fe O6 B:S0h1003 2.53 interactive model: Iron binding site 3 out of 3 in 1zz8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1zz8. 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: Asn135, C: His138, C: Glu142, C: His180, C: Asn197, C: S0h1002, C: Hoh1060, conact list: Atom Atom Distance (A) Fe ND2 C:Asn135 4.07 Fe NE2 C:His138 2.36 Fe ND1 C:His138 4.49 Fe CD2 C:His138 3.18 Fe CE1 C:His138 3.44 Fe CG C:His138 4.40 Fe OE1 C:Glu142 2.17 Fe CB C:Glu142 4.87 Fe OE2 C:Glu142 3.34 Fe CD C:Glu142 3.11 Fe CG C:Glu142 4.51 Fe NE2 C:His180 2.36 Fe ND1 C:His180 4.45 Fe CD2 C:His180 3.33 Fe CE1 C:His180 3.33 Fe CG C:His180 4.49 Fe OD1 C:Asn197 4.52 Fe O15 C:S0h1002 4.16 Fe O13 C:S0h1002 3.88 Fe P1 C:S0h1002 3.16 Fe O14 C:S0h1002 1.87 Fe C1 C:S0h1002 4.30 Fe C3 C:S0h1002 3.46 Fe C2 C:S0h1002 3.64 Fe O6 C:S0h1002 2.40 Fe O C:Hoh1060 2.88 interactive model: