The binding sites of Bromine atom in the structure of X-Ray Crystal Structure of the PYL2(V114I)-Pyrabactin A Complex (pdb code 3nj1). This binding sites where shown with 5.0 Angstroms radius around Bromine atom.
The 3nj1 structure was solved by F.C.PETERSON, E.S.BURGIE, C.A.BINGMAN, B.F.VOLKMAN, G.N.PHILLIPS JR., S.R.CUTLER, D.R.JENSEN, CENTER FOR EUKARYOTIC STRUCTURAL GENOMICS(CESG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 30.4-1.9 | | Space group | P6122 | | a (A) | 61.754 | | b (A) | 61.754 | | c (A) | 222.002 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 120.00 | | Rfactor (%) | 19.5 | | Rfree (%) | 21.7 |
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Bromine binding site 1 out of 1 in 3nj1
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Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3nj1. 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: His65, A: Phe66, A: Val87, A: Ser89, A: Val169, A: Pyv300, A: P2m301, | conact list:
| Atom | Atom | Distance (A) | | Br | O A:His65 | 4.83 | | Br | CB A:Phe66 | 4.42 | | Br | CE2 A:Phe66 | 4.20 | | Br | CD2 A:Phe66 | 3.59 | | Br | CG A:Phe66 | 4.27 | | Br | CG1 A:Val87 | 4.70 | | Br | CB A:Ser89 | 3.73 | | Br | OG A:Ser89 | 4.06 | | Br | CB A:Val169 | 4.62 | | Br | CG2 A:Val169 | 3.90 | | Br | CG1 A:Val169 | 4.07 | | Br | C9 A:Pyv300 | 4.44 | | Br | C1 A:Pyv300 | 1.90 | | Br | C2 A:Pyv300 | 2.85 | | Br | C6 A:Pyv300 | 2.87 | | Br | C5 A:Pyv300 | 4.17 | | Br | C4 A:Pyv300 | 4.68 | | Br | C10 A:Pyv300 | 3.06 | | Br | BR A:Pyv300 | 0.00 | | Br | C3 A:Pyv300 | 4.16 | | Br | C9 A:P2m301 | 4.44 | | Br | C1 A:P2m301 | 1.90 | | Br | C2 A:P2m301 | 2.86 | | Br | C6 A:P2m301 | 2.86 | | Br | C5 A:P2m301 | 4.16 | | Br | C4 A:P2m301 | 4.68 | | Br | C10 A:P2m301 | 3.06 | | Br | C3 A:P2m301 | 4.16 |
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