Iron in the structure of Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum (pdb 1moj)
The binding sites of Iron atom in the structure of Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum (pdb code 1moj). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1moj structure was solved by K.ZETH, S.OFFERMANN, L.O.ESSEN, D.OESTERHELT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 29.9-1.9 | Space group | P321 | a (A) | 90.747 | b (A) | 90.747 | c (A) | 149.410 | alpha (°) | 90.00 | beta (°) | 90.00 | gamma (°) | 120.00 | Rfactor (%) | 14.7 | Rfree (%) | 18.2 |
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Iron Binding Sites:Iron binding site 1 out of 6 in 1moj
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1moj. 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: Asp79, A: Glu83, B: Lys49, B: His52, B: Trp53, B: His64, A: Hoh354, A: Hoh355, B: Hoh353, | conact list:
Atom | Atom | Distance (A) | Fe | O A:Asp79 | 4.94 | Fe | CB A:Asp79 | 4.22 | Fe | OD2 A:Asp79 | 2.22 | Fe | OD1 A:Asp79 | 2.57 | Fe | CG A:Asp79 | 2.72 | Fe | OE1 A:Glu83 | 1.97 | Fe | OE2 A:Glu83 | 3.59 | Fe | CD A:Glu83 | 2.99 | Fe | CG A:Glu83 | 4.06 | Fe | NZ B:Lys49 | 4.78 | Fe | NE2 B:His52 | 2.36 | Fe | ND1 B:His52 | 4.47 | Fe | CD2 B:His52 | 3.23 | Fe | CE1 B:His52 | 3.39 | Fe | CG B:His52 | 4.43 | Fe | CD1 B:Trp53 | 4.52 | Fe | NE1 B:Trp53 | 4.60 | Fe | NE2 B:His64 | 4.49 | Fe | CE1 B:His64 | 4.41 | Fe | O A:Hoh354 | 2.17 | Fe | O A:Hoh355 | 4.34 | Fe | O B:Hoh353 | 2.89 |
| interactive model:
| Iron binding site 2 out of 6 in 1moj
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1moj. 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: His150, A: Glu154, C: His150, C: Glu154, A: Hoh364, A: Hoh367, C: Hoh360, C: Hoh367, | conact list:
Atom | Atom | Distance (A) | Fe | NE2 A:His150 | 4.10 | Fe | CE1 A:His150 | 4.53 | Fe | OE1 A:Glu154 | 3.28 | Fe | OE2 A:Glu154 | 2.36 | Fe | CD A:Glu154 | 3.14 | Fe | CG A:Glu154 | 4.52 | Fe | NE2 C:His150 | 4.26 | Fe | CE1 C:His150 | 4.62 | Fe | OE1 C:Glu154 | 3.56 | Fe | OE2 C:Glu154 | 2.55 | Fe | CD C:Glu154 | 3.40 | Fe | CG C:Glu154 | 4.77 | Fe | O A:Hoh364 | 3.50 | Fe | O A:Hoh367 | 2.95 | Fe | O C:Hoh360 | 2.93 | Fe | O C:Hoh367 | 4.35 |
| interactive model:
| Iron binding site 3 out of 6 in 1moj
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1moj. 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: Lys49, A: His52, A: Trp53, A: His64, B: Asp79, B: Glu83, A: Hoh356, B: Hoh350, B: Hoh351, B: Hoh352, | conact list:
Atom | Atom | Distance (A) | Fe | NZ A:Lys49 | 4.75 | Fe | NE2 A:His52 | 2.32 | Fe | ND1 A:His52 | 4.43 | Fe | CD2 A:His52 | 3.24 | Fe | CE1 A:His52 | 3.34 | Fe | CG A:His52 | 4.42 | Fe | CD1 A:Trp53 | 4.62 | Fe | NE1 A:Trp53 | 4.70 | Fe | NE2 A:His64 | 4.47 | Fe | CE1 A:His64 | 4.41 | Fe | CB B:Asp79 | 4.25 | Fe | OD2 B:Asp79 | 2.23 | Fe | OD1 B:Asp79 | 2.62 | Fe | CG B:Asp79 | 2.76 | Fe | OE1 B:Glu83 | 2.04 | Fe | OE2 B:Glu83 | 3.68 | Fe | CD B:Glu83 | 3.08 | Fe | CG B:Glu83 | 4.16 | Fe | O A:Hoh356 | 4.82 | Fe | O B:Hoh350 | 2.05 | Fe | O B:Hoh351 | 2.47 | Fe | O B:Hoh352 | 4.68 |
| interactive model:
| Iron binding site 4 out of 6 in 1moj
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1moj. 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: His150, B: Glu154, B: Hoh362, B: Hoh378, | conact list:
Atom | Atom | Distance (A) | Fe | NE2 B:His150 | 4.34 | Fe | CE1 B:His150 | 4.75 | Fe | OE1 B:Glu154 | 3.39 | Fe | OE2 B:Glu154 | 2.54 | Fe | CD B:Glu154 | 3.30 | Fe | CG B:Glu154 | 4.69 | Fe | O B:Hoh362 | 2.97 | Fe | O B:Hoh378 | 4.12 |
| interactive model:
| Iron binding site 5 out of 6 in 1moj
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 1moj. 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: Asp79, C: Glu83, D: Lys49, D: His52, D: Trp53, D: His64, C: Hoh351, C: Hoh352, C: Hoh384, D: Hoh346, | conact list:
Atom | Atom | Distance (A) | Fe | CB C:Asp79 | 4.29 | Fe | OD2 C:Asp79 | 2.38 | Fe | OD1 C:Asp79 | 2.57 | Fe | CG C:Asp79 | 2.80 | Fe | OE1 C:Glu83 | 2.08 | Fe | OE2 C:Glu83 | 3.79 | Fe | CD C:Glu83 | 3.16 | Fe | CG C:Glu83 | 4.20 | Fe | NZ D:Lys49 | 4.57 | Fe | NE2 D:His52 | 2.17 | Fe | ND1 D:His52 | 4.29 | Fe | CD2 D:His52 | 3.02 | Fe | CE1 D:His52 | 3.24 | Fe | CG D:His52 | 4.23 | Fe | CD1 D:Trp53 | 4.42 | Fe | NE1 D:Trp53 | 4.49 | Fe | NE2 D:His64 | 4.53 | Fe | CE1 D:His64 | 4.40 | Fe | O C:Hoh351 | 2.63 | Fe | O C:Hoh352 | 2.29 | Fe | O C:Hoh384 | 4.18 | Fe | O D:Hoh346 | 4.53 |
| interactive model:
| Iron binding site 6 out of 6 in 1moj
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 1moj. 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: Lys49, C: His52, C: Trp53, C: His64, D: Asp79, D: Glu83, C: Hoh386, D: Hoh347, D: Hoh348, D: Hoh349, | conact list:
Atom | Atom | Distance (A) | Fe | NZ C:Lys49 | 4.81 | Fe | NE2 C:His52 | 2.37 | Fe | ND1 C:His52 | 4.46 | Fe | CD2 C:His52 | 3.31 | Fe | CE1 C:His52 | 3.36 | Fe | CG C:His52 | 4.48 | Fe | CD1 C:Trp53 | 4.65 | Fe | NE1 C:Trp53 | 4.75 | Fe | NE2 C:His64 | 4.43 | Fe | CE1 C:His64 | 4.39 | Fe | O D:Asp79 | 4.96 | Fe | CB D:Asp79 | 4.25 | Fe | OD2 D:Asp79 | 2.22 | Fe | OD1 D:Asp79 | 2.61 | Fe | CG D:Asp79 | 2.75 | Fe | OE1 D:Glu83 | 1.97 | Fe | OE2 D:Glu83 | 3.60 | Fe | CD D:Glu83 | 3.01 | Fe | CG D:Glu83 | 4.11 | Fe | O C:Hoh386 | 3.87 | Fe | O D:Hoh347 | 2.45 | Fe | O D:Hoh348 | 2.54 | Fe | O D:Hoh349 | 4.92 |
| interactive model:
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