Manganese in the structure of Crystal Structure of the Protein Serine/Threonine Phosphatase 2C At 2 A Resolution (pdb 1a6q)
The binding sites of Manganese atom in the structure of Crystal Structure of the Protein Serine/Threonine Phosphatase 2C At 2 A Resolution (pdb code 1a6q). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1a6q structure was solved by A.K.DAS, N.R.HELPS, P.T.W.COHEN, D.BARFORD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 6.0-2.0 | Space group | P3121 | a (A) | 91.020 | b (A) | 91.020 | c (A) | 105.610 | alpha (°) | 90.00 | beta (°) | 90.00 | gamma (°) | 120.00 | Rfactor (%) | 21.4 | Rfree (%) | n/a |
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Manganese Binding Sites:Manganese binding site 1 out of 2 in 1a6q
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1a6q. 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: Asp38, A: Asp60, A: Cys238, A: Asp239, A: Gly240, A: Asp282, A: Asn283, A: Mn384, A: Po4701, A: Hoh702, A: Hoh749, A: Hoh799, A: Hoh879, A: Hoh880, A: Hoh881, A: Hoh883, A: Hoh885, A: Hoh889, | conact list:
Atom | Atom | Distance (A) | Mn | OD1 A:Asp38 | 4.82 | Mn | CB A:Asp60 | 4.44 | Mn | OD2 A:Asp60 | 2.21 | Mn | OD1 A:Asp60 | 3.15 | Mn | CG A:Asp60 | 3.03 | Mn | CB A:Cys238 | 4.89 | Mn | SG A:Cys238 | 4.95 | Mn | N A:Asp239 | 4.77 | Mn | CB A:Asp239 | 4.68 | Mn | OD2 A:Asp239 | 3.49 | Mn | C A:Asp239 | 4.93 | Mn | OD1 A:Asp239 | 2.32 | Mn | CG A:Asp239 | 3.27 | Mn | N A:Gly240 | 4.41 | Mn | CA A:Gly240 | 4.99 | Mn | CB A:Asp282 | 4.48 | Mn | OD2 A:Asp282 | 2.16 | Mn | OD1 A:Asp282 | 3.45 | Mn | CG A:Asp282 | 3.15 | Mn | O A:Asn283 | 4.65 | Mn | MN A:Mn384 | 3.98 | Mn | O1 A:Po4701 | 3.69 | Mn | O A:Hoh702 | 3.77 | Mn | O A:Hoh749 | 4.12 | Mn | O A:Hoh799 | 1.66 | Mn | O A:Hoh879 | 4.45 | Mn | O A:Hoh880 | 2.19 | Mn | O A:Hoh881 | 4.95 | Mn | O A:Hoh883 | 4.30 | Mn | O A:Hoh885 | 4.22 | Mn | O A:Hoh889 | 1.87 |
| interactive model:
| Manganese binding site 2 out of 2 in 1a6q
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1a6q. 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: Glu37, A: Asp38, A: Asp60, A: Gly61, A: His62, A: Asp282, A: Asn283, A: Mn383, A: Po4701, A: Hoh702, A: Hoh776, A: Hoh799, A: Hoh800, A: Hoh879, A: Hoh880, A: Hoh881, A: Hoh882, A: Hoh889, | conact list:
Atom | Atom | Distance (A) | Mn | OE1 A:Glu37 | 3.80 | Mn | CB A:Glu37 | 4.13 | Mn | CD A:Glu37 | 4.82 | Mn | OD1 A:Asp38 | 4.61 | Mn | O A:Asp60 | 4.55 | Mn | CB A:Asp60 | 4.85 | Mn | OD2 A:Asp60 | 4.23 | Mn | C A:Asp60 | 4.31 | Mn | OD1 A:Asp60 | 2.53 | Mn | CG A:Asp60 | 3.69 | Mn | CA A:Asp60 | 4.87 | Mn | O A:Gly61 | 2.14 | Mn | N A:Gly61 | 4.16 | Mn | C A:Gly61 | 3.32 | Mn | CA A:Gly61 | 4.33 | Mn | N A:His62 | 4.11 | Mn | CB A:His62 | 4.28 | Mn | CA A:His62 | 4.02 | Mn | OD1 A:Asp282 | 4.64 | Mn | OD1 A:Asn283 | 4.50 | Mn | MN A:Mn383 | 3.98 | Mn | O1 A:Po4701 | 3.94 | Mn | P A:Po4701 | 4.20 | Mn | O4 A:Po4701 | 4.04 | Mn | O3 A:Po4701 | 3.91 | Mn | O A:Hoh702 | 2.10 | Mn | O A:Hoh776 | 4.88 | Mn | O A:Hoh799 | 4.19 | Mn | O A:Hoh800 | 2.34 | Mn | O A:Hoh879 | 2.64 | Mn | O A:Hoh880 | 2.28 | Mn | O A:Hoh881 | 4.11 | Mn | O A:Hoh882 | 4.35 | Mn | O A:Hoh889 | 4.19 |
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