Chlorine in PDB 3njo: X-Ray Crystal Structure of the PYR1-Pyrabactin A Complex

The structure of X-Ray Crystal Structure of the PYR1-Pyrabactin A Complex, PDB code: 3njo was solved by E.S.Burgie, C.A.Bingman, G.N.Phillips Jr., F.C.Peterson, B.F.Volkman, 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)	32.05 / 2.47
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	60.307, 60.307, 527.599, 90.00, 90.00, 120.00
R / Rfree (%)	22.2 / 26.5

The structure of X-Ray Crystal Structure of the PYR1-Pyrabactin A Complex also contains other interesting chemical elements:

Bromine	(Br)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the X-Ray Crystal Structure of the PYR1-Pyrabactin A Complex (pdb code 3njo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Crystal Structure of the PYR1-Pyrabactin A Complex, PDB code: 3njo:

Chlorine binding site 1 out of 1 in the X-Ray Crystal Structure of the PYR1-Pyrabactin A Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of the PYR1-Pyrabactin A Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl192 b:95.2 occ:1.00 ND1 B:HIS60 3.5 45.6 1.0 NZ B:LYS170 3.8 42.7 1.0 CA B:HIS60 4.0 31.0 1.0 N B:PHE61 4.0 38.0 1.0 CG2 A:THR162 4.1 48.2 1.0 OG1 A:THR162 4.2 57.4 1.0 CG B:HIS60 4.3 40.7 1.0 CB B:HIS60 4.3 36.9 1.0 CE1 B:HIS60 4.4 46.1 1.0 C B:HIS60 4.5 34.8 1.0 O B:LYS59 4.6 45.6 1.0 CE B:LYS170 4.8 45.3 1.0 CB A:THR162 4.8 45.3 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