Iron in the structure of Reduced Form of Formate Dehydrogenase H From E. Coli (pdb 1aa6)
The binding sites of Iron atom in the structure of Reduced Form of Formate Dehydrogenase H From E. Coli (pdb code 1aa6). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1aa6 structure was solved by P.D.SUN, J.C.BOYINGTON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 6.0-2.3 | Space group | P41212 | a (A) | 146.400 | b (A) | 146.400 | c (A) | 82.700 | alpha (°) | 90.00 | beta (°) | 90.00 | gamma (°) | 90.00 | Rfactor (%) | 21.7 | Rfree (%) | 28.7 |
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Iron Binding Sites:Iron binding site 1 out of 4 in 1aa6
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1aa6. 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: Cys8, A: Cys11, A: Cys15, A: Leu41, A: Cys42, A: Lys44, A: Gly45, A: Pro182, A: Sf4800, A: Hoh833, | conact list:
Atom | Atom | Distance (A) | Fe | SG A:Cys8 | 4.76 | Fe | SG A:Cys11 | 4.79 | Fe | SG A:Cys15 | 4.88 | Fe | C A:Leu41 | 4.98 | Fe | O A:Cys42 | 4.59 | Fe | N A:Cys42 | 3.81 | Fe | CB A:Cys42 | 3.28 | Fe | SG A:Cys42 | 2.30 | Fe | C A:Cys42 | 4.49 | Fe | CA A:Cys42 | 4.05 | Fe | N A:Lys44 | 4.91 | Fe | CB A:Lys44 | 4.75 | Fe | CE A:Lys44 | 4.64 | Fe | NZ A:Lys44 | 4.59 | Fe | N A:Gly45 | 4.39 | Fe | CB A:Pro182 | 4.68 | Fe | CD A:Pro182 | 4.48 | Fe | CG A:Pro182 | 4.58 | Fe | S1 A:Sf4800 | 3.95 | Fe | FE1 A:Sf4800 | 0.00 | Fe | FE3 A:Sf4800 | 2.83 | Fe | S4 A:Sf4800 | 2.35 | Fe | FE2 A:Sf4800 | 2.69 | Fe | S2 A:Sf4800 | 2.34 | Fe | FE4 A:Sf4800 | 2.72 | Fe | S3 A:Sf4800 | 2.35 | Fe | O A:Hoh833 | 4.77 |
| interactive model:
| Iron binding site 2 out of 4 in 1aa6
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1aa6. 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: Cys8, A: Tyr10, A: Cys11, A: Cys15, A: Cys42, A: Gly45, A: Sf4800, | conact list:
Atom | Atom | Distance (A) | Fe | CB A:Cys8 | 3.06 | Fe | SG A:Cys8 | 2.26 | Fe | CA A:Cys8 | 4.52 | Fe | N A:Tyr10 | 4.85 | Fe | CB A:Tyr10 | 4.21 | Fe | CD2 A:Tyr10 | 4.78 | Fe | CA A:Tyr10 | 4.98 | Fe | O A:Cys11 | 4.91 | Fe | N A:Cys11 | 4.58 | Fe | SG A:Cys11 | 4.85 | Fe | CB A:Cys15 | 4.62 | Fe | SG A:Cys15 | 4.56 | Fe | SG A:Cys42 | 4.69 | Fe | N A:Gly45 | 4.29 | Fe | CA A:Gly45 | 4.32 | Fe | S1 A:Sf4800 | 2.24 | Fe | FE1 A:Sf4800 | 2.69 | Fe | FE3 A:Sf4800 | 2.61 | Fe | S4 A:Sf4800 | 2.36 | Fe | FE2 A:Sf4800 | 0.00 | Fe | S2 A:Sf4800 | 3.77 | Fe | FE4 A:Sf4800 | 2.65 | Fe | S3 A:Sf4800 | 2.31 |
| interactive model:
| Iron binding site 3 out of 4 in 1aa6
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1aa6. 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: Cys8, A: Cys11, A: Ser13, A: Cys15, A: Leu41, A: Cys42, A: Ile183, A: Sf4800, | conact list:
Atom | Atom | Distance (A) | Fe | CB A:Cys8 | 4.50 | Fe | SG A:Cys8 | 4.57 | Fe | SG A:Cys11 | 4.87 | Fe | CB A:Ser13 | 3.99 | Fe | OG A:Ser13 | 4.60 | Fe | N A:Cys15 | 4.28 | Fe | CB A:Cys15 | 3.15 | Fe | SG A:Cys15 | 2.22 | Fe | CA A:Cys15 | 4.33 | Fe | CD2 A:Leu41 | 4.90 | Fe | N A:Cys42 | 4.83 | Fe | CB A:Ile183 | 4.44 | Fe | CD1 A:Ile183 | 4.33 | Fe | CG1 A:Ile183 | 4.33 | Fe | S1 A:Sf4800 | 2.34 | Fe | FE1 A:Sf4800 | 2.83 | Fe | FE3 A:Sf4800 | 0.00 | Fe | S4 A:Sf4800 | 2.31 | Fe | FE2 A:Sf4800 | 2.61 | Fe | S2 A:Sf4800 | 2.28 | Fe | FE4 A:Sf4800 | 2.79 | Fe | S3 A:Sf4800 | 3.98 |
| interactive model:
| Iron binding site 4 out of 4 in 1aa6
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1aa6. 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: Cys8, A: Tyr10, A: Cys11, A: Ser13, A: Cys15, A: Cys42, A: Lys44, A: Pro182, A: Sf4800, A: Hoh833, | conact list:
Atom | Atom | Distance (A) | Fe | SG A:Cys8 | 4.62 | Fe | CB A:Tyr10 | 4.81 | Fe | O A:Cys11 | 4.04 | Fe | N A:Cys11 | 3.86 | Fe | CB A:Cys11 | 3.53 | Fe | SG A:Cys11 | 2.36 | Fe | C A:Cys11 | 4.20 | Fe | CA A:Cys11 | 4.03 | Fe | N A:Ser13 | 4.51 | Fe | CB A:Ser13 | 3.90 | Fe | OG A:Ser13 | 3.90 | Fe | CA A:Ser13 | 4.80 | Fe | SG A:Cys15 | 4.80 | Fe | SG A:Cys42 | 4.73 | Fe | NZ A:Lys44 | 4.71 | Fe | CD A:Pro182 | 4.55 | Fe | S1 A:Sf4800 | 2.28 | Fe | FE1 A:Sf4800 | 2.72 | Fe | FE3 A:Sf4800 | 2.79 | Fe | S4 A:Sf4800 | 3.96 | Fe | FE2 A:Sf4800 | 2.65 | Fe | S2 A:Sf4800 | 2.30 | Fe | FE4 A:Sf4800 | 0.00 | Fe | S3 A:Sf4800 | 2.28 | Fe | O A:Hoh833 | 4.03 |
| interactive model:
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