Bromine in PDB 3nj1: X-Ray Crystal Structure of the PYL2(V114I)-Pyrabactin A Complex

The structure of X-Ray Crystal Structure of the PYL2(V114I)-Pyrabactin A Complex, PDB code: 3nj1 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. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.43 / 1.95
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.754, 61.754, 222.002, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 21.7

The binding sites of Bromine atom in the X-Ray Crystal Structure of the PYL2(V114I)-Pyrabactin A Complex (pdb code 3nj1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the X-Ray Crystal Structure of the PYL2(V114I)-Pyrabactin A Complex, PDB code: 3nj1:

Bromine binding site 1 out of 1 in the X-Ray Crystal Structure of the PYL2(V114I)-Pyrabactin A Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of X-Ray Crystal Structure of the PYL2(V114I)-Pyrabactin A Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Br300 b:39.3 occ:0.50 BR A:PYV300 0.0 39.3 0.5 C1 A:P2M301 1.9 32.8 0.5 C1 A:PYV300 1.9 32.8 0.5 C2 A:PYV300 2.9 32.0 0.5 C2 A:P2M301 2.9 32.0 0.5 C6 A:P2M301 2.9 31.0 0.5 C6 A:PYV300 2.9 31.1 0.5 C10 A:PYV300 3.1 34.9 0.5 C10 A:P2M301 3.1 34.9 0.5 CD2 A:PHE66 3.6 32.9 1.0 CB A:SER89 3.7 37.5 1.0 CG2 A:VAL169 3.9 29.7 1.0 OG A:SER89 4.1 40.1 1.0 CG1 A:VAL169 4.1 26.4 1.0 C3 A:PYV300 4.2 33.0 0.5 C5 A:P2M301 4.2 30.9 0.5 C3 A:P2M301 4.2 33.0 0.5 C5 A:PYV300 4.2 30.9 0.5 CE2 A:PHE66 4.2 32.5 1.0 CG A:PHE66 4.3 34.2 1.0 CB A:PHE66 4.4 29.1 1.0 C9 A:PYV300 4.4 37.9 0.5 C9 A:P2M301 4.4 37.9 0.5 CB A:VAL169 4.6 25.3 1.0 C4 A:P2M301 4.7 31.4 0.5 C4 A:PYV300 4.7 31.4 0.5 CG1 A:VAL87 4.7 36.6 1.0 O A:HIS65 4.8 30.9 1.0

F.C.Peterson, E.S.Burgie, S.Y.Park, D.R.Jensen, J.J.Weiner, C.A.Bingman, C.E.Chang, S.R.Cutler, G.N.Phillips, B.F.Volkman. Structural Basis For Selective Activation of Aba Receptors. Nat.Struct.Mol.Biol. V. 17 1109 2010.
ISSN: ISSN 1545-9993
PubMed: 20729860
DOI: 10.1038/NSMB.1898