The binding sites of Bromine atom in the structure of Structural Study of Porcine Pancreatic Elastase Complexed With 7- Amino-3-(2-Bromoethoxy)-4-Chloroisocoumarin As A Nonreactivatable Doubly Covalent Enzyme-Inhibitor Complex (pdb code 9est). This binding sites where shown with 5.0 Angstroms radius around Bromine atom.
The 9est structure was solved by R.RADHAKRISHNAN, J.C.POWERS, E.F.MEYER JR., with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 6.0-1.9 | | Space group | P212121 | | a (A) | 51.130 | | b (A) | 58.140 | | c (A) | 75.450 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | n/a | | Rfree (%) | n/a |
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Bromine binding site 1 out of 1 in 9est
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 9est. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Gln192, A: Ibr600, A: Hoh611, A: Hoh898, A: Hoh904, | conact list:
| Atom | Atom | Distance (A) | | Br | NE2 A:Gln192 | 3.15 | | Br | CD A:Gln192 | 4.01 | | Br | CG A:Gln192 | 3.95 | | Br | C2E A:Ibr600 | 2.92 | | Br | C1E A:Ibr600 | 1.97 | | Br | O11 A:Ibr600 | 3.73 | | Br | BR A:Ibr600 | 0.00 | | Br | O A:Hoh611 | 4.16 | | Br | O A:Hoh898 | 4.34 | | Br | O A:Hoh904 | 3.86 |
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