The binding sites of Molybdenum atom in the structure of Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Oxidized Form (pdb code 1n5w). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom.
The 1n5w structure was solved by H.DOBBEK, L.GREMER, R.KIEFERSAUER, R.HUBER, O.MEYER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 18.0-1.5 | | Space group | P212121 | | a (A) | 119.295 | | b (A) | 132.088 | | c (A) | 159.825 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 13.5 | | Rfree (%) | 17.1 |
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Molybdenum binding site 1 out of 2 in 1n5w
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 1n5w. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Molybdenum atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Gln240, B: Phe271, B: Gly272, B: Arg387, B: Tyr568, B: Gly569, B: Glu763, B: Cum3921, B: Mcn3920, B: Hoh3970, B: Hoh4334, | conact list:
| Atom | Atom | Distance (A) | | Mo | NE2 B:Gln240 | 4.62 | | Mo | O B:Phe271 | 4.80 | | Mo | C B:Phe271 | 4.52 | | Mo | N B:Gly272 | 4.06 | | Mo | CA B:Gly272 | 4.06 | | Mo | N B:Arg387 | 4.52 | | Mo | CA B:Arg387 | 4.63 | | Mo | CB B:Tyr568 | 4.07 | | Mo | C B:Tyr568 | 4.50 | | Mo | CA B:Tyr568 | 4.04 | | Mo | N B:Gly569 | 3.94 | | Mo | CA B:Gly569 | 4.99 | | Mo | OE1 B:Glu763 | 4.65 | | Mo | OE2 B:Glu763 | 3.13 | | Mo | CD B:Glu763 | 3.94 | | Mo | CG B:Glu763 | 4.62 | | Mo | S B:Cum3921 | 2.27 | | Mo | OM1 B:Cum3921 | 1.71 | | Mo | MO B:Cum3921 | 0.00 | | Mo | OM2 B:Cum3921 | 1.89 | | Mo | CU B:Cum3921 | 3.75 | | Mo | C8' B:Mcn3920 | 3.52 | | Mo | S7' B:Mcn3920 | 2.46 | | Mo | S8' B:Mcn3920 | 2.47 | | Mo | C9' B:Mcn3920 | 4.98 | | Mo | C7' B:Mcn3920 | 3.46 | | Mo | C6' B:Mcn3920 | 4.94 | | Mo | O B:Hoh3970 | 4.30 | | Mo | O B:Hoh4334 | 3.94 |
| interactive model:
| Molybdenum binding site 2 out of 2 in 1n5w
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Molybdenum in the PDB 1n5w. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Molybdenum atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: E: Gln240, E: Phe271, E: Gly272, E: Arg387, E: Tyr568, E: Gly569, E: Glu763, E: Cum4921, E: Mcn4920, E: Hoh4926, E: Hoh5313, | conact list:
| Atom | Atom | Distance (A) | | Mo | NE2 E:Gln240 | 4.66 | | Mo | O E:Phe271 | 4.75 | | Mo | C E:Phe271 | 4.44 | | Mo | N E:Gly272 | 4.04 | | Mo | CA E:Gly272 | 4.02 | | Mo | N E:Arg387 | 4.57 | | Mo | CA E:Arg387 | 4.68 | | Mo | CB E:Tyr568 | 4.04 | | Mo | C E:Tyr568 | 4.51 | | Mo | CA E:Tyr568 | 4.04 | | Mo | N E:Gly569 | 3.96 | | Mo | OE1 E:Glu763 | 4.66 | | Mo | OE2 E:Glu763 | 3.16 | | Mo | CD E:Glu763 | 3.95 | | Mo | CG E:Glu763 | 4.65 | | Mo | S E:Cum4921 | 2.28 | | Mo | OM1 E:Cum4921 | 1.77 | | Mo | MO E:Cum4921 | 0.00 | | Mo | OM2 E:Cum4921 | 1.85 | | Mo | CU E:Cum4921 | 3.74 | | Mo | C8' E:Mcn4920 | 3.44 | | Mo | S7' E:Mcn4920 | 2.45 | | Mo | S8' E:Mcn4920 | 2.49 | | Mo | C9' E:Mcn4920 | 4.90 | | Mo | C7' E:Mcn4920 | 3.46 | | Mo | C6' E:Mcn4920 | 4.91 | | Mo | O E:Hoh4926 | 4.30 | | Mo | O E:Hoh5313 | 3.93 |
| interactive model:
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