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:
|
|
|
|
|