Chlorine in PDB 6mkt: Photoactive Yellow Protein with 3-Chlorotyrosine Substituted at Position 42

The structure of Photoactive Yellow Protein with 3-Chlorotyrosine Substituted at Position 42, PDB code: 6mkt was solved by B.D.Thomson, J.Both, Y.Wu, R.M.Parrish, T.Martinez, S.G.Boxer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.90 / 1.60
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	65.500, 65.500, 40.380, 90.00, 90.00, 120.00
R / Rfree (%)	16.7 / 18.9

The binding sites of Chlorine atom in the Photoactive Yellow Protein with 3-Chlorotyrosine Substituted at Position 42 (pdb code 6mkt). 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 Photoactive Yellow Protein with 3-Chlorotyrosine Substituted at Position 42, PDB code: 6mkt:

Chlorine binding site 1 out of 1 in the Photoactive Yellow Protein with 3-Chlorotyrosine Substituted at Position 42


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Photoactive Yellow Protein with 3-Chlorotyrosine Substituted at Position 42 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl42 b:20.9 occ:1.00 CL A:3CT42 0.0 20.9 1.0 CE2 A:3CT42 1.7 14.3 1.0 CD2 A:3CT42 2.7 16.0 1.0 CZ A:3CT42 2.7 12.5 1.0 OH A:3CT42 2.9 17.1 1.0 O4' A:HC4201 3.1 21.4 1.0 C4' A:HC4201 3.7 15.7 1.0 CE1 A:PHE62 3.7 15.8 1.0 C3' A:HC4201 3.8 14.1 1.0 CD1 A:ILE39 3.8 16.5 1.0 CD1 A:PHE62 3.8 14.1 1.0 CD1 A:ILE31 3.9 19.0 1.0 CG1 A:VAL66 3.9 17.1 1.0 CG A:3CT42 4.0 14.0 1.0 CE1 A:3CT42 4.0 16.6 1.0 CG1 A:ILE31 4.4 15.4 1.0 CG2 A:VAL57 4.5 19.0 1.0 CD1 A:3CT42 4.5 16.1 1.0 C5' A:HC4201 4.7 17.9 1.0 CB A:VAL57 4.7 19.9 1.0 CG2 A:ILE31 4.7 16.6 1.0 CG1 A:ILE39 4.8 16.5 1.0 C2' A:HC4201 4.9 17.4 1.0 CG A:GLU46 4.9 14.6 1.0 CB A:VAL66 4.9 18.6 1.0 CG1 A:VAL57 4.9 23.4 1.0

B.Thomson, J.Both, Y.Wu, R.M.Parrish, T.J.Martinez, S.G.Boxer. Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein Via Noncanonical Amino Acid Incorporation. J.Phys.Chem.B V. 123 4844 2019.
ISSN: ISSN 1089-5647
PubMed: 31117606
DOI: 10.1021/ACS.JPCB.9B01571