The binding sites of Mercury atom in the structure of Crystal Structure of Histidine Kinase Thka (TM1359) in Complex With Response Regulator Protein Trra (TM1360) (pdb code 3a0r). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 3a0r structure was solved by S.YAMADA, H.SUGIMOTO, M.KOBAYASHI, A.OHNO, H.NAKAMURA, Y.SHIRO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 20.0-3.8 | | Space group | I4122 | | a (A) | 110.594 | | b (A) | 110.594 | | c (A) | 352.508 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 35 | | Rfree (%) | 37.1 |
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Mercury binding site 1 out of 1 in 3a0r
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 3a0r. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Mercury atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Val654, A: Asn657, A: Leu718, A: Ile720, A: Cys721, A: Ile724, | conact list:
| Atom | Atom | Distance (A) | | Hg | N A:Val654 | 4.81 | | Hg | CA A:Val654 | 4.67 | | Hg | O A:Asn657 | 4.53 | | Hg | CB A:Asn657 | 4.39 | | Hg | CG A:Asn657 | 4.98 | | Hg | O A:Leu718 | 4.10 | | Hg | O A:Ile720 | 4.90 | | Hg | CB A:Ile720 | 3.95 | | Hg | CD1 A:Ile720 | 4.27 | | Hg | CG2 A:Ile720 | 4.69 | | Hg | C A:Ile720 | 4.18 | | Hg | CG1 A:Ile720 | 4.77 | | Hg | CA A:Ile720 | 4.70 | | Hg | N A:Cys721 | 3.33 | | Hg | CB A:Cys721 | 2.92 | | Hg | SG A:Cys721 | 1.47 | | Hg | C A:Cys721 | 4.85 | | Hg | CA A:Cys721 | 3.34 | | Hg | CG1 A:Ile724 | 4.90 |
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