Iron in the structure of Structure Of I274C Variant of E. Coli Kate[] - Images 7-12 (pdb 3pq3)

The binding sites of Iron atom in the structure of Structure Of I274C Variant of E. Coli Kate[] - Images 7-12 (pdb code 3pq3). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 3pq3 structure was solved by P.C.LOEWEN, V.JHA, S.LOUIS, P.CHELIKANI, X.CARPENA, I.FITA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 35.2-1.8 Space group P1211 a (A) 93.507 b (A) 133.031 c (A) 122.646 alpha (°) 90.00 beta (°) 109.39 gamma (°) 90.00 Rfactor (%) 14.2 Rfree (%) 18.9 Iron Binding Sites: Iron binding site 1 out of 8 in 3pq3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3pq3. 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: Val127, A: His128, A: Phe214, A: Arg411, A: Tyr415, A: Hdd760, A: Hde761, A: Hoh1084, A: Hoh3592, conact list: Atom Atom Distance (A) Fe CG2 A:Val127 4.88 Fe NE2 A:His128 4.57 Fe CD2 A:His128 4.74 Fe CZ A:Phe214 4.66 Fe CZ A:Arg411 4.42 Fe NE A:Arg411 3.98 Fe NH2 A:Arg411 4.06 Fe CE2 A:Tyr415 3.85 Fe CD1 A:Tyr415 4.95 Fe CZ A:Tyr415 2.92 Fe CE1 A:Tyr415 3.62 Fe OH A:Tyr415 1.84 Fe C2D A:Hdd760 4.38 Fe NC A:Hdd760 2.07 Fe CHB A:Hdd760 3.52 Fe CHC A:Hdd760 3.40 Fe C3D A:Hdd760 4.44 Fe NA A:Hdd760 1.94 Fe CHA A:Hdd760 3.45 Fe C2A A:Hdd760 4.22 Fe C1D A:Hdd760 3.16 Fe C4A A:Hdd760 3.01 Fe C4B A:Hdd760 3.03 Fe C3A A:Hdd760 4.19 Fe C4C A:Hdd760 3.08 Fe C2B A:Hdd760 4.33 Fe C1C A:Hdd760 3.08 Fe C2C A:Hdd760 4.31 Fe ND A:Hdd760 2.17 Fe CHD A:Hdd760 3.48 Fe C1B A:Hdd760 3.13 Fe NB A:Hdd760 2.05 Fe FE A:Hdd760 0.00 Fe C3C A:Hdd760 4.31 Fe C3B A:Hdd760 4.28 Fe C4D A:Hdd760 3.19 Fe C1A A:Hdd760 2.98 Fe C2D A:Hde761 4.30 Fe NC A:Hde761 1.64 Fe CHB A:Hde761 3.79 Fe CHC A:Hde761 3.17 Fe C3D A:Hde761 4.46 Fe NA A:Hde761 2.44 Fe CHA A:Hde761 3.73 Fe C2A A:Hde761 4.78 Fe C1D A:Hde761 3.02 Fe C4A A:Hde761 3.48 Fe C4B A:Hde761 2.94 Fe C3A A:Hde761 4.77 Fe C4C A:Hde761 2.67 Fe C2B A:Hde761 4.34 Fe C1C A:Hde761 2.72 Fe C2C A:Hde761 3.92 Fe ND A:Hde761 2.09 Fe CHD A:Hde761 3.27 Fe C1B A:Hde761 3.24 Fe NB A:Hde761 2.12 Fe FE A:Hde761 0.50 Fe C3C A:Hde761 3.88 Fe C3B A:Hde761 4.19 Fe C4D A:Hde761 3.21 Fe C1A A:Hde761 3.44 Fe O A:Hoh1084 4.30 Fe O A:Hoh3592 2.30 interactive model: Iron binding site 2 out of 8 in 3pq3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3pq3. 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: Val127, A: His128, A: Phe214, A: Arg411, A: Tyr415, A: Hdd760, A: Hde761, A: Hoh1084, A: Hoh3592, conact list: Atom Atom Distance (A) Fe CG2 A:Val127 4.42 Fe NE2 A:His128 4.48 Fe CD2 A:His128 4.52 Fe CZ A:Phe214 4.42 Fe CE1 A:Phe214 4.99 Fe CZ A:Arg411 4.89 Fe NE A:Arg411 4.40 Fe NH2 A:Arg411 4.52 Fe CE2 A:Tyr415 3.95 Fe CD1 A:Tyr415 4.93 Fe CZ A:Tyr415 3.05 Fe CE1 A:Tyr415 3.65 Fe OH A:Tyr415 2.14 Fe C2D A:Hdd760 3.97 Fe NC A:Hdd760 2.11 Fe CHB A:Hdd760 3.85 Fe CHC A:Hdd760 3.69 Fe C3D A:Hdd760 4.02 Fe NA A:Hdd760 2.00 Fe CHA A:Hdd760 3.15 Fe C2A A:Hdd760 4.19 Fe C1D A:Hdd760 2.78 Fe C4A A:Hdd760 3.22 Fe C4B A:Hdd760 3.43 Fe C3A A:Hdd760 4.29 Fe O1D A:Hdd760 4.77 Fe C4C A:Hdd760 2.95 Fe C2B A:Hdd760 4.76 Fe C1C A:Hdd760 3.23 Fe C2C A:Hdd760 4.37 Fe ND A:Hdd760 1.75 Fe CHD A:Hdd760 3.20 Fe CMD A:Hdd760 4.98 Fe C1B A:Hdd760 3.54 Fe NB A:Hdd760 2.48 Fe FE A:Hdd760 0.50 Fe OND A:Hdd760 4.86 Fe C3C A:Hdd760 4.24 Fe C3B A:Hdd760 4.69 Fe C4D A:Hdd760 2.79 Fe C1A A:Hdd760 2.85 Fe C2D A:Hde761 4.39 Fe NC A:Hde761 2.02 Fe CHB A:Hde761 3.48 Fe CHC A:Hde761 3.38 Fe C3D A:Hde761 4.40 Fe NA A:Hde761 2.01 Fe CHA A:Hde761 3.41 Fe C2A A:Hde761 4.39 Fe C1D A:Hde761 3.17 Fe C4A A:Hde761 3.09 Fe C4B A:Hde761 3.01 Fe C3A A:Hde761 4.39 Fe C4C A:Hde761 3.09 Fe C2B A:Hde761 4.25 Fe C1C A:Hde761 3.08 Fe C2C A:Hde761 4.34 Fe ND A:Hde761 2.08 Fe CHD A:Hde761 3.60 Fe C1B A:Hde761 3.05 Fe NB A:Hde761 2.00 Fe FE A:Hde761 0.00 Fe C3C A:Hde761 4.32 Fe C3B A:Hde761 4.22 Fe C4D A:Hde761 3.06 Fe C1A A:Hde761 3.06 Fe O A:Hoh1084 4.38 Fe O A:Hoh3592 2.11 interactive model: Iron binding site 3 out of 8 in 3pq3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 3pq3. 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: Val127, B: His128, B: Phe214, B: Arg411, B: Tyr415, B: Hdd760, B: Hde761, B: Hoh840, B: Hoh3593, conact list: Atom Atom Distance (A) Fe CG2 B:Val127 4.77 Fe NE2 B:His128 4.68 Fe CD2 B:His128 4.76 Fe CZ B:Phe214 4.71 Fe CZ B:Arg411 4.63 Fe NE B:Arg411 4.15 Fe NH2 B:Arg411 4.24 Fe CE2 B:Tyr415 3.75 Fe CD1 B:Tyr415 4.73 Fe CD2 B:Tyr415 4.96 Fe CZ B:Tyr415 2.76 Fe CE1 B:Tyr415 3.42 Fe OH B:Tyr415 1.83 Fe C2D B:Hdd760 4.34 Fe NC B:Hdd760 2.05 Fe CHB B:Hdd760 3.36 Fe CHC B:Hdd760 3.48 Fe C3D B:Hdd760 4.38 Fe NA B:Hdd760 1.99 Fe CHA B:Hdd760 3.47 Fe C2A B:Hdd760 4.24 Fe C1D B:Hdd760 3.10 Fe C4A B:Hdd760 3.00 Fe C4B B:Hdd760 3.08 Fe C3A B:Hdd760 4.23 Fe C4C B:Hdd760 3.03 Fe C2B B:Hdd760 4.25 Fe C1C B:Hdd760 3.10 Fe C2C B:Hdd760 4.28 Fe ND B:Hdd760 2.06 Fe CHD B:Hdd760 3.40 Fe C1B B:Hdd760 3.01 Fe NB B:Hdd760 2.02 Fe FE B:Hdd760 0.00 Fe C3C B:Hdd760 4.26 Fe C3B B:Hdd760 4.30 Fe C4D B:Hdd760 3.11 Fe C1A B:Hdd760 3.06 Fe C2D B:Hde761 4.44 Fe NC B:Hde761 2.37 Fe CHB B:Hde761 3.25 Fe CHC B:Hde761 3.71 Fe C3D B:Hde761 4.37 Fe NA B:Hde761 1.74 Fe CHA B:Hde761 3.28 Fe ONA B:Hde761 4.97 Fe C2A B:Hde761 4.05 Fe C1D B:Hde761 3.25 Fe C4A B:Hde761 2.79 Fe C4B B:Hde761 3.18 Fe C3A B:Hde761 4.08 Fe C4C B:Hde761 3.29 Fe C2B B:Hde761 4.15 Fe C1C B:Hde761 3.37 Fe C2C B:Hde761 4.59 Fe ND B:Hde761 2.13 Fe CHD B:Hde761 3.68 Fe C1B B:Hde761 2.92 Fe NB B:Hde761 2.08 Fe FE B:Hde761 0.49 Fe C3C B:Hde761 4.50 Fe C3B B:Hde761 4.27 Fe C4D B:Hde761 3.04 Fe C1A B:Hde761 2.79 Fe O1A B:Hde761 4.78 Fe O B:Hoh840 4.51 Fe O B:Hoh3593 2.59 interactive model: Iron binding site 4 out of 8 in 3pq3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 3pq3. 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: Val127, B: His128, B: Phe214, B: Arg411, B: Tyr415, B: Hdd760, B: Hde761, B: Hoh840, B: Hoh3593, conact list: Atom Atom Distance (A) Fe CG2 B:Val127 4.64 Fe NE2 B:His128 4.34 Fe CD2 B:His128 4.50 Fe CZ B:Phe214 4.45 Fe CZ B:Arg411 4.76 Fe NE B:Arg411 4.30 Fe NH2 B:Arg411 4.41 Fe CE2 B:Tyr415 4.20 Fe CZ B:Tyr415 3.23 Fe CE1 B:Tyr415 3.89 Fe OH B:Tyr415 2.21 Fe C2D B:Hdd760 4.66 Fe NC B:Hdd760 2.11 Fe CHB B:Hdd760 3.19 Fe CHC B:Hdd760 3.28 Fe C3D B:Hdd760 4.68 Fe NA B:Hdd760 2.02 Fe CHA B:Hdd760 3.66 Fe C2A B:Hdd760 4.28 Fe C1D B:Hdd760 3.41 Fe C4A B:Hdd760 2.92 Fe C4B B:Hdd760 2.81 Fe C3A B:Hdd760 4.19 Fe C4C B:Hdd760 3.18 Fe C2B B:Hdd760 3.96 Fe C1C B:Hdd760 3.01 Fe C2C B:Hdd760 4.23 Fe ND B:Hdd760 2.37 Fe CHD B:Hdd760 3.66 Fe C1B B:Hdd760 2.75 Fe NB B:Hdd760 1.77 Fe FE B:Hdd760 0.49 Fe C3C B:Hdd760 4.32 Fe C3B B:Hdd760 4.00 Fe C4D B:Hdd760 3.39 Fe C1A B:Hdd760 3.16 Fe C2D B:Hde761 4.39 Fe NC B:Hde761 2.03 Fe CHB B:Hde761 3.47 Fe CHC B:Hde761 3.45 Fe C3D B:Hde761 4.41 Fe NA B:Hde761 1.99 Fe CHA B:Hde761 3.45 Fe C2A B:Hde761 4.37 Fe C1D B:Hde761 3.15 Fe C4A B:Hde761 3.08 Fe C4B B:Hde761 3.05 Fe C3A B:Hde761 4.40 Fe C4C B:Hde761 3.04 Fe C2B B:Hde761 4.22 Fe C1C B:Hde761 3.10 Fe C2C B:Hde761 4.34 Fe ND B:Hde761 2.10 Fe CHD B:Hde761 3.49 Fe C1B B:Hde761 3.02 Fe NB B:Hde761 1.99 Fe FE B:Hde761 0.00 Fe C3C B:Hde761 4.27 Fe C3B B:Hde761 4.22 Fe C4D B:Hde761 3.12 Fe C1A B:Hde761 3.05 Fe O B:Hoh840 4.02 Fe O B:Hoh3593 2.15 interactive model: Iron binding site 5 out of 8 in 3pq3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 3pq3. 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: Val127, C: His128, C: Phe214, C: Arg411, C: Tyr415, C: Hdd760, C: Hde761, C: Hoh1263, C: Hoh3277, conact list: Atom Atom Distance (A) Fe CG2 C:Val127 4.72 Fe NE2 C:His128 4.64 Fe CD2 C:His128 4.75 Fe CZ C:Phe214 4.76 Fe CZ C:Arg411 4.51 Fe NE C:Arg411 4.03 Fe NH2 C:Arg411 4.12 Fe CE2 C:Tyr415 3.82 Fe CD1 C:Tyr415 4.91 Fe CZ C:Tyr415 2.93 Fe CE1 C:Tyr415 3.63 Fe OH C:Tyr415 1.91 Fe C2D C:Hdd760 4.47 Fe NC C:Hdd760 2.06 Fe CHB C:Hdd760 3.44 Fe CHC C:Hdd760 3.43 Fe C3D C:Hdd760 4.48 Fe NA C:Hdd760 1.99 Fe CHA C:Hdd760 3.47 Fe C2A C:Hdd760 4.25 Fe C1D C:Hdd760 3.22 Fe C4A C:Hdd760 3.02 Fe C4B C:Hdd760 3.07 Fe C3A C:Hdd760 4.24 Fe C4C C:Hdd760 3.09 Fe C2B C:Hdd760 4.32 Fe C1C C:Hdd760 3.06 Fe C2C C:Hdd760 4.28 Fe ND C:Hdd760 2.21 Fe CHD C:Hdd760 3.51 Fe C1B C:Hdd760 3.10 Fe NB C:Hdd760 2.06 Fe FE C:Hdd760 0.00 Fe C3C C:Hdd760 4.30 Fe C3B C:Hdd760 4.29 Fe C4D C:Hdd760 3.20 Fe C1A C:Hdd760 3.03 Fe C2D C:Hde761 4.45 Fe NC C:Hde761 2.07 Fe CHB C:Hde761 3.42 Fe CHC C:Hde761 3.44 Fe C3D C:Hde761 4.47 Fe NA C:Hde761 1.99 Fe CHA C:Hde761 3.47 Fe C2A C:Hde761 4.30 Fe C1D C:Hde761 3.22 Fe C4A C:Hde761 3.00 Fe C4B C:Hde761 3.01 Fe C3A C:Hde761 4.30 Fe C4C C:Hde761 3.08 Fe C2B C:Hde761 4.16 Fe C1C C:Hde761 3.06 Fe C2C C:Hde761 4.28 Fe ND C:Hde761 2.17 Fe CHD C:Hde761 3.59 Fe C1B C:Hde761 2.96 Fe NB C:Hde761 2.00 Fe FE C:Hde761 0.34 Fe C3C C:Hde761 4.27 Fe C3B C:Hde761 4.17 Fe C4D C:Hde761 3.16 Fe C1A C:Hde761 3.03 Fe O C:Hoh1263 4.29 Fe O C:Hoh3277 2.52 interactive model: Iron binding site 6 out of 8 in 3pq3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 3pq3. 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: Val127, C: His128, C: Phe214, C: Arg411, C: Tyr415, C: Hdd760, C: Hde761, C: Hoh1263, C: Hoh3277, conact list: Atom Atom Distance (A) Fe CG2 C:Val127 4.46 Fe NE2 C:His128 4.35 Fe CD2 C:His128 4.46 Fe CZ C:Phe214 4.57 Fe CZ C:Arg411 4.77 Fe NE C:Arg411 4.30 Fe NH2 C:Arg411 4.37 Fe CE2 C:Tyr415 4.15 Fe CZ C:Tyr415 3.26 Fe CE1 C:Tyr415 3.90 Fe OH C:Tyr415 2.24 Fe C2D C:Hdd760 4.52 Fe NC C:Hdd760 2.16 Fe CHB C:Hdd760 3.40 Fe CHC C:Hdd760 3.46 Fe C3D C:Hdd760 4.49 Fe NA C:Hdd760 1.93 Fe CHA C:Hdd760 3.41 Fe C2A C:Hdd760 4.17 Fe C1D C:Hdd760 3.29 Fe C4A C:Hdd760 2.96 Fe C4B C:Hdd760 3.07 Fe C3A C:Hdd760 4.16 Fe C4C C:Hdd760 3.18 Fe C2B C:Hdd760 4.29 Fe C1C C:Hdd760 3.12 Fe C2C C:Hdd760 4.34 Fe ND C:Hdd760 2.24 Fe CHD C:Hdd760 3.61 Fe C1B C:Hdd760 3.07 Fe NB C:Hdd760 2.06 Fe FE C:Hdd760 0.34 Fe C3C C:Hdd760 4.37 Fe C3B C:Hdd760 4.28 Fe C4D C:Hdd760 3.19 Fe C1A C:Hdd760 2.96 Fe C2D C:Hde761 4.39 Fe NC C:Hde761 2.01 Fe CHB C:Hde761 3.49 Fe CHC C:Hde761 3.44 Fe C3D C:Hde761 4.40 Fe NA C:Hde761 1.98 Fe CHA C:Hde761 3.40 Fe C2A C:Hde761 4.33 Fe C1D C:Hde761 3.16 Fe C4A C:Hde761 3.05 Fe C4B C:Hde761 3.05 Fe C3A C:Hde761 4.35 Fe C4C C:Hde761 3.07 Fe C2B C:Hde761 4.25 Fe C1C C:Hde761 3.07 Fe C2C C:Hde761 4.31 Fe ND C:Hde761 2.10 Fe CHD C:Hde761 3.55 Fe C1B C:Hde761 3.04 Fe NB C:Hde761 2.01 Fe FE C:Hde761 0.00 Fe C3C C:Hde761 4.28 Fe C3B C:Hde761 4.25 Fe C4D C:Hde761 3.08 Fe C1A C:Hde761 3.02 Fe O C:Hoh1263 4.01 Fe O C:Hoh3277 2.18 interactive model: Iron binding site 7 out of 8 in 3pq3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Iron in the PDB 3pq3. 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: Val127, D: His128, D: Phe214, D: Arg411, D: Tyr415, D: Hdd760, D: Hde761, D: Hoh1264, D: Hoh3252, conact list: Atom Atom Distance (A) Fe CG2 D:Val127 4.76 Fe NE2 D:His128 4.59 Fe CD2 D:His128 4.75 Fe CZ D:Phe214 4.72 Fe CZ D:Arg411 4.51 Fe NE D:Arg411 4.02 Fe NH2 D:Arg411 4.13 Fe CE2 D:Tyr415 3.78 Fe CD1 D:Tyr415 4.76 Fe CD2 D:Tyr415 4.97 Fe CZ D:Tyr415 2.84 Fe CE1 D:Tyr415 3.51 Fe OH D:Tyr415 1.88 Fe C2D D:Hdd760 4.42 Fe NC D:Hdd760 2.07 Fe CHB D:Hdd760 3.42 Fe CHC D:Hdd760 3.45 Fe C3D D:Hdd760 4.51 Fe NA D:Hdd760 2.00 Fe CHA D:Hdd760 3.53 Fe C2A D:Hdd760 4.23 Fe C1D D:Hdd760 3.18 Fe C4A D:Hdd760 3.01 Fe C4B D:Hdd760 3.11 Fe C3A D:Hdd760 4.22 Fe C4C D:Hdd760 3.09 Fe C2B D:Hdd760 4.36 Fe C1C D:Hdd760 3.08 Fe C2C D:Hdd760 4.29 Fe ND D:Hdd760 2.23 Fe CHD D:Hdd760 3.47 Fe C1B D:Hdd760 3.12 Fe NB D:Hdd760 2.10 Fe FE D:Hdd760 0.00 Fe C3C D:Hdd760 4.31 Fe C3B D:Hdd760 4.32 Fe C4D D:Hdd760 3.26 Fe C1A D:Hdd760 3.05 Fe C2D D:Hde761 4.42 Fe NC D:Hde761 2.12 Fe CHB D:Hde761 3.38 Fe CHC D:Hde761 3.47 Fe C3D D:Hde761 4.42 Fe NA D:Hde761 1.92 Fe CHA D:Hde761 3.42 Fe C2A D:Hde761 4.25 Fe C1D D:Hde761 3.19 Fe C4A D:Hde761 2.96 Fe C4B D:Hde761 3.04 Fe C3A D:Hde761 4.25 Fe C4C D:Hde761 3.09 Fe C2B D:Hde761 4.16 Fe C1C D:Hde761 3.12 Fe C2C D:Hde761 4.30 Fe ND D:Hde761 2.13 Fe CHD D:Hde761 3.56 Fe C1B D:Hde761 2.98 Fe NB D:Hde761 2.03 Fe FE D:Hde761 0.35 Fe C3C D:Hde761 4.28 Fe C3B D:Hde761 4.18 Fe C4D D:Hde761 3.10 Fe C1A D:Hde761 2.98 Fe O1A D:Hde761 4.98 Fe O D:Hoh1264 4.55 Fe O D:Hoh3252 2.47 interactive model: Iron binding site 8 out of 8 in 3pq3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Iron in the PDB 3pq3. 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: Val127, D: His128, D: Phe214, D: Arg411, D: Tyr415, D: Hdd760, D: Hde761, D: Hoh1264, D: Hoh3252, conact list: Atom Atom Distance (A) Fe CG2 D:Val127 4.53 Fe NE2 D:His128 4.31 Fe CD2 D:His128 4.49 Fe CZ D:Phe214 4.48 Fe CZ D:Arg411 4.74 Fe NE D:Arg411 4.26 Fe NH2 D:Arg411 4.37 Fe CE2 D:Tyr415 4.12 Fe CZ D:Tyr415 3.19 Fe CE1 D:Tyr415 3.82 Fe OH D:Tyr415 2.22 Fe C2D D:Hdd760 4.51 Fe NC D:Hdd760 2.13 Fe CHB D:Hdd760 3.38 Fe CHC D:Hdd760 3.42 Fe C3D D:Hdd760 4.58 Fe NA D:Hdd760 1.98 Fe CHA D:Hdd760 3.55 Fe C2A D:Hdd760 4.21 Fe C1D D:Hdd760 3.27 Fe C4A D:Hdd760 2.96 Fe C4B D:Hdd760 3.06 Fe C3A D:Hdd760 4.18 Fe C4C D:Hdd760 3.16 Fe C2B D:Hdd760 4.30 Fe C1C D:Hdd760 3.08 Fe C2C D:Hdd760 4.29 Fe ND D:Hdd760 2.30 Fe CHD D:Hdd760 3.57 Fe C1B D:Hdd760 3.07 Fe NB D:Hdd760 2.06 Fe FE D:Hdd760 0.35 Fe C3C D:Hdd760 4.36 Fe C3B D:Hdd760 4.26 Fe C4D D:Hdd760 3.30 Fe C1A D:Hdd760 3.04 Fe C2D D:Hde761 4.39 Fe NC D:Hde761 2.00 Fe CHB D:Hde761 3.47 Fe CHC D:Hde761 3.37 Fe C3D D:Hde761 4.40 Fe NA D:Hde761 1.97 Fe CHA D:Hde761 3.42 Fe C2A D:Hde761 4.34 Fe C1D D:Hde761 3.15 Fe C4A D:Hde761 3.05 Fe C4B D:Hde761 3.01 Fe C3A D:Hde761 4.35 Fe C4C D:Hde761 3.03 Fe C2B D:Hde761 4.22 Fe C1C D:Hde761 3.04 Fe C2C D:Hde761 4.25 Fe ND D:Hde761 2.10 Fe CHD D:Hde761 3.53 Fe C1B D:Hde761 3.04 Fe NB D:Hde761 1.99 Fe FE D:Hde761 0.00 Fe C3C D:Hde761 4.24 Fe C3B D:Hde761 4.20 Fe C4D D:Hde761 3.09 Fe C1A D:Hde761 3.03 Fe O D:Hoh1264 4.23 Fe O D:Hoh3252 2.12 interactive model: