Iron in the structure of Crystal Structure Analysis of Bovine BC1 With Stigmatellin A (pdb 1sqx)
The binding sites of Iron atom in the structure of Crystal Structure Analysis of Bovine BC1 With Stigmatellin A (pdb code 1sqx). This binding sites where shown with 5.0 Angstroms radius around Iron atom.
The 1sqx structure was solved by L.ESSER, B.QUINN, Y.F.LI, M.ZHANG, M.ELBERRY, L.YU, C.A.YU, D.XIA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 40.0-2.6 | | Space group | I4122 | | a (A) | 154.385 | | b (A) | 154.385 | | c (A) | 590.271 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 23.3 | | Rfree (%) | 28.1 |
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Iron Binding Sites:Iron binding site 1 out of 5 in 1sqx
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1sqx. 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: His97, C: His196, C: Hem381, C: Hoh672, | conact list:
| Atom | Atom | Distance (A) | | Fe | NE2 C:His97 | 2.32 | | Fe | ND1 C:His97 | 4.45 | | Fe | CD2 C:His97 | 3.13 | | Fe | CE1 C:His97 | 3.41 | | Fe | CG C:His97 | 4.35 | | Fe | NE2 C:His196 | 2.13 | | Fe | ND1 C:His196 | 4.22 | | Fe | CD2 C:His196 | 3.07 | | Fe | CE1 C:His196 | 3.13 | | Fe | CG C:His196 | 4.22 | | Fe | C2D C:Hem381 | 4.26 | | Fe | NC C:Hem381 | 2.01 | | Fe | CHB C:Hem381 | 3.43 | | Fe | CHC C:Hem381 | 3.49 | | Fe | C3D C:Hem381 | 4.25 | | Fe | NA C:Hem381 | 2.03 | | Fe | CHA C:Hem381 | 3.45 | | Fe | C2A C:Hem381 | 4.23 | | Fe | C1D C:Hem381 | 3.04 | | Fe | C4A C:Hem381 | 2.99 | | Fe | C4B C:Hem381 | 3.06 | | Fe | C3A C:Hem381 | 4.21 | | Fe | C4C C:Hem381 | 3.03 | | Fe | C2B C:Hem381 | 4.28 | | Fe | C1C C:Hem381 | 3.05 | | Fe | C2C C:Hem381 | 4.28 | | Fe | ND C:Hem381 | 2.01 | | Fe | CHD C:Hem381 | 3.47 | | Fe | C1B C:Hem381 | 3.04 | | Fe | NB C:Hem381 | 2.02 | | Fe | FE C:Hem381 | 0.00 | | Fe | C3C C:Hem381 | 4.28 | | Fe | C3B C:Hem381 | 4.29 | | Fe | C4D C:Hem381 | 3.05 | | Fe | C1A C:Hem381 | 3.01 | | Fe | O C:Hoh672 | 4.88 |
| interactive model:
| Iron binding site 2 out of 5 in 1sqx
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1sqx. 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: Gly48, C: His83, C: Gly130, C: His182, C: Hem382, | conact list:
| Atom | Atom | Distance (A) | | Fe | CA C:Gly48 | 4.96 | | Fe | NE2 C:His83 | 2.23 | | Fe | ND1 C:His83 | 4.23 | | Fe | CD2 C:His83 | 3.35 | | Fe | CE1 C:His83 | 3.04 | | Fe | CG C:His83 | 4.41 | | Fe | CA C:Gly130 | 4.73 | | Fe | NE2 C:His182 | 2.21 | | Fe | ND1 C:His182 | 4.26 | | Fe | CD2 C:His182 | 3.25 | | Fe | CE1 C:His182 | 3.11 | | Fe | CG C:His182 | 4.36 | | Fe | C2D C:Hem382 | 4.28 | | Fe | NC C:Hem382 | 2.01 | | Fe | CHB C:Hem382 | 3.49 | | Fe | CHC C:Hem382 | 3.47 | | Fe | C3D C:Hem382 | 4.26 | | Fe | NA C:Hem382 | 2.03 | | Fe | CHA C:Hem382 | 3.44 | | Fe | C2A C:Hem382 | 4.24 | | Fe | C1D C:Hem382 | 3.06 | | Fe | C4A C:Hem382 | 3.03 | | Fe | C4B C:Hem382 | 3.05 | | Fe | C3A C:Hem382 | 4.25 | | Fe | C4C C:Hem382 | 3.05 | | Fe | C2B C:Hem382 | 4.29 | | Fe | C1C C:Hem382 | 3.04 | | Fe | C2C C:Hem382 | 4.29 | | Fe | ND C:Hem382 | 2.01 | | Fe | CHD C:Hem382 | 3.51 | | Fe | C1B C:Hem382 | 3.06 | | Fe | NB C:Hem382 | 2.03 | | Fe | FE C:Hem382 | 0.00 | | Fe | C3C C:Hem382 | 4.30 | | Fe | C3B C:Hem382 | 4.30 | | Fe | C4D C:Hem382 | 3.04 | | Fe | C1A C:Hem382 | 3.01 |
| interactive model:
| Iron binding site 3 out of 5 in 1sqx
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1sqx. 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: Cys139, E: His141, E: Leu142, E: Cys144, E: Cys158, E: Cys160, E: His161, E: Ser163, E: Fes200, | conact list:
| Atom | Atom | Distance (A) | | Fe | CB E:Cys139 | 3.31 | | Fe | SG E:Cys139 | 2.40 | | Fe | CA E:Cys139 | 4.76 | | Fe | CB E:His141 | 3.95 | | Fe | ND1 E:His141 | 4.39 | | Fe | CG E:His141 | 4.67 | | Fe | CA E:His141 | 4.99 | | Fe | N E:Leu142 | 4.69 | | Fe | N E:Cys144 | 4.88 | | Fe | CB E:Cys144 | 4.50 | | Fe | SG E:Cys144 | 4.83 | | Fe | O E:Cys158 | 4.87 | | Fe | CB E:Cys158 | 3.25 | | Fe | SG E:Cys158 | 2.14 | | Fe | C E:Cys158 | 4.87 | | Fe | CA E:Cys158 | 4.63 | | Fe | N E:Cys160 | 4.80 | | Fe | CB E:Cys160 | 4.02 | | Fe | CA E:Cys160 | 4.83 | | Fe | N E:His161 | 4.56 | | Fe | ND1 E:His161 | 4.51 | | Fe | CB E:Ser163 | 4.21 | | Fe | OG E:Ser163 | 4.08 | | Fe | S1 E:Fes200 | 2.20 | | Fe | S2 E:Fes200 | 2.23 | | Fe | FE1 E:Fes200 | 0.00 | | Fe | FE2 E:Fes200 | 2.73 |
| interactive model:
| Iron binding site 4 out of 5 in 1sqx
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1sqx. 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: Cys139, E: His141, E: Leu142, E: Cys158, E: Cys160, E: His161, E: Ser163, E: Pro175, E: Fes200, | conact list:
| Atom | Atom | Distance (A) | | Fe | SG E:Cys139 | 4.39 | | Fe | NE2 E:His141 | 4.21 | | Fe | CB E:His141 | 3.27 | | Fe | ND1 E:His141 | 2.10 | | Fe | CD2 E:His141 | 4.19 | | Fe | C E:His141 | 4.67 | | Fe | CE1 E:His141 | 3.13 | | Fe | CG E:His141 | 3.02 | | Fe | CA E:His141 | 4.54 | | Fe | N E:Leu142 | 4.09 | | Fe | CB E:Leu142 | 4.30 | | Fe | CD1 E:Leu142 | 4.45 | | Fe | CG E:Leu142 | 4.55 | | Fe | CA E:Leu142 | 4.75 | | Fe | SG E:Cys158 | 4.47 | | Fe | CB E:Cys160 | 3.95 | | Fe | C E:Cys160 | 4.45 | | Fe | CA E:Cys160 | 4.75 | | Fe | NE2 E:His161 | 4.25 | | Fe | N E:His161 | 3.84 | | Fe | CB E:His161 | 3.53 | | Fe | ND1 E:His161 | 2.20 | | Fe | CD2 E:His161 | 4.31 | | Fe | CE1 E:His161 | 3.13 | | Fe | CG E:His161 | 3.20 | | Fe | CA E:His161 | 4.26 | | Fe | OG E:Ser163 | 4.97 | | Fe | CG E:Pro175 | 4.82 | | Fe | S1 E:Fes200 | 2.21 | | Fe | S2 E:Fes200 | 2.20 | | Fe | FE1 E:Fes200 | 2.73 | | Fe | FE2 E:Fes200 | 0.00 |
| interactive model:
| Iron binding site 5 out of 5 in 1sqx
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 1sqx. 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: His41, D: Met160, D: Hem242, | conact list:
| Atom | Atom | Distance (A) | | Fe | NE2 D:His41 | 2.26 | | Fe | ND1 D:His41 | 4.33 | | Fe | CD2 D:His41 | 3.23 | | Fe | CE1 D:His41 | 3.21 | | Fe | CG D:His41 | 4.36 | | Fe | CB D:Met160 | 4.27 | | Fe | CE D:Met160 | 3.73 | | Fe | CG D:Met160 | 3.80 | | Fe | SD D:Met160 | 2.52 | | Fe | C2D D:Hem242 | 4.26 | | Fe | NC D:Hem242 | 2.00 | | Fe | CHB D:Hem242 | 3.51 | | Fe | CHC D:Hem242 | 3.47 | | Fe | C3D D:Hem242 | 4.24 | | Fe | NA D:Hem242 | 2.05 | | Fe | CHA D:Hem242 | 3.46 | | Fe | C2A D:Hem242 | 4.27 | | Fe | C1D D:Hem242 | 3.05 | | Fe | C4A D:Hem242 | 3.05 | | Fe | C4B D:Hem242 | 3.04 | | Fe | C3A D:Hem242 | 4.27 | | Fe | C4C D:Hem242 | 3.02 | | Fe | C2B D:Hem242 | 4.29 | | Fe | C1C D:Hem242 | 3.02 | | Fe | C2C D:Hem242 | 4.25 | | Fe | ND D:Hem242 | 2.01 | | Fe | CHD D:Hem242 | 3.50 | | Fe | C1B D:Hem242 | 3.06 | | Fe | NB D:Hem242 | 2.02 | | Fe | FE D:Hem242 | 0.00 | | Fe | C3C D:Hem242 | 4.25 | | Fe | C3B D:Hem242 | 4.28 | | Fe | C4D D:Hem242 | 3.04 | | Fe | C1A D:Hem242 | 3.03 |
| interactive model:
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