The binding sites of Manganese atom in the structure of BETA1,4-Galactosyltransferase Mutant M344H-Gal-T1 in Complex With Chitobiose (pdb code 1tw5). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1tw5 structure was solved by B.RAMAKRISHNAN, E.BOEGGEMAN, P.K.QASBA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 19.6-2.3 | Space group | P212121 | a (A) | 50.370 | b (A) | 92.550 | c (A) | 143.410 | alpha (°) | 90.00 | beta (°) | 90.00 | gamma (°) | 90.00 | Rfactor (%) | 19.5 | Rfree (%) | 25.7 |
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Manganese binding site 1 out of 2 in 1tw5
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1tw5. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Arg191, A: Asp252, A: Asp254, A: Lys279, A: His344, A: His347, A: Udh404, A: Hoh912, A: Hoh1025, A: Hoh1161, | conact list:
Atom | Atom | Distance (A) | Mn | NH2 A:Arg191 | 4.52 | Mn | NH1 A:Arg191 | 4.69 | Mn | OD2 A:Asp252 | 4.87 | Mn | CB A:Asp254 | 4.39 | Mn | OD2 A:Asp254 | 3.35 | Mn | OD1 A:Asp254 | 2.17 | Mn | CG A:Asp254 | 3.06 | Mn | NZ A:Lys279 | 4.24 | Mn | NE2 A:His344 | 2.24 | Mn | ND1 A:His344 | 4.33 | Mn | CD2 A:His344 | 3.22 | Mn | CE1 A:His344 | 3.21 | Mn | CG A:His344 | 4.37 | Mn | NE2 A:His347 | 2.37 | Mn | ND1 A:His347 | 4.48 | Mn | CD2 A:His347 | 3.27 | Mn | CE1 A:His347 | 3.39 | Mn | CG A:His347 | 4.46 | Mn | O3B A:Udh404 | 4.68 | Mn | PA A:Udh404 | 3.43 | Mn | O3' A:Udh404 | 4.02 | Mn | O5' A:Udh404 | 4.59 | Mn | O2B A:Udh404 | 4.00 | Mn | O3A A:Udh404 | 3.52 | Mn | C5B A:Udh404 | 4.73 | Mn | O2A A:Udh404 | 4.18 | Mn | O1B A:Udh404 | 2.22 | Mn | C3B A:Udh404 | 4.65 | Mn | PB A:Udh404 | 3.38 | Mn | O1A A:Udh404 | 2.04 | Mn | O A:Hoh912 | 2.26 | Mn | O A:Hoh1025 | 4.33 | Mn | O A:Hoh1161 | 4.20 |
| interactive model:
| Manganese binding site 2 out of 2 in 1tw5
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1tw5. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Arg191, B: Asp252, B: Asp254, B: Lys279, B: His344, B: His347, B: Udh806, B: Hoh939, B: Hoh1008, | conact list:
Atom | Atom | Distance (A) | Mn | NH2 B:Arg191 | 4.65 | Mn | NH1 B:Arg191 | 4.54 | Mn | OD2 B:Asp252 | 4.81 | Mn | CB B:Asp254 | 4.33 | Mn | OD2 B:Asp254 | 3.37 | Mn | OD1 B:Asp254 | 2.07 | Mn | CG B:Asp254 | 3.02 | Mn | NZ B:Lys279 | 4.15 | Mn | NE2 B:His344 | 2.19 | Mn | ND1 B:His344 | 4.26 | Mn | CD2 B:His344 | 3.23 | Mn | CE1 B:His344 | 3.11 | Mn | CG B:His344 | 4.35 | Mn | NE2 B:His347 | 2.25 | Mn | ND1 B:His347 | 4.32 | Mn | CD2 B:His347 | 3.28 | Mn | CE1 B:His347 | 3.17 | Mn | CG B:His347 | 4.40 | Mn | O3B B:Udh806 | 4.64 | Mn | PA B:Udh806 | 3.36 | Mn | O3' B:Udh806 | 4.03 | Mn | O5' B:Udh806 | 4.50 | Mn | O2B B:Udh806 | 3.88 | Mn | O3A B:Udh806 | 3.41 | Mn | C5B B:Udh806 | 4.61 | Mn | O2A B:Udh806 | 4.14 | Mn | O1B B:Udh806 | 2.26 | Mn | C3B B:Udh806 | 4.56 | Mn | PB B:Udh806 | 3.32 | Mn | O1A B:Udh806 | 1.97 | Mn | O B:Hoh939 | 4.08 | Mn | O B:Hoh1008 | 2.38 |
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