Chlorine in PDB 6ap6: Crystal Structure of DAD2 in Complex with Tolfenamic Acid

The structure of Crystal Structure of DAD2 in Complex with Tolfenamic Acid, PDB code: 6ap6 was solved by C.Hamiaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.42 / 1.65
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	36.860, 55.830, 69.230, 95.76, 95.13, 108.46
R / Rfree (%)	16.8 / 20

The binding sites of Chlorine atom in the Crystal Structure of DAD2 in Complex with Tolfenamic Acid (pdb code 6ap6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of DAD2 in Complex with Tolfenamic Acid, PDB code: 6ap6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of DAD2 in Complex with Tolfenamic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of DAD2 in Complex with Tolfenamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl300 b:21.1 occ:1.00 CL A:TLF300 0.0 21.1 1.0 C2 A:TLF300 1.8 17.1 1.0 C3 A:TLF300 2.8 11.7 1.0 C1 A:TLF300 2.8 8.6 1.0 C17 A:TLF300 3.0 16.9 1.0 CD1 A:ILE140 3.7 35.0 1.0 CE1 A:PHE135 3.9 19.0 1.0 CE1 A:PHE158 3.9 14.8 1.0 C4 A:TLF300 4.0 11.2 1.0 C6 A:TLF300 4.1 8.3 1.0 CG1 A:VAL143 4.1 26.2 1.0 CZ A:PHE194 4.2 15.6 1.0 CE1 A:HIS218 4.3 22.1 1.0 CD1 A:PHE158 4.4 17.7 1.0 CZ A:PHE135 4.5 16.3 1.0 CD1 A:PHE135 4.5 18.4 1.0 C5 A:TLF300 4.6 13.0 1.0 CG2 A:VAL143 4.6 27.3 1.0 CE1 A:PHE194 4.7 17.2 1.0 CB A:VAL143 4.8 24.8 1.0 CZ A:PHE158 4.9 14.4 1.0 O A:HOH595 4.9 21.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of DAD2 in Complex with Tolfenamic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of DAD2 in Complex with Tolfenamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl300 b:17.2 occ:1.00 CL B:TLF300 0.0 17.2 1.0 C2 B:TLF300 1.8 12.8 1.0 C3 B:TLF300 2.8 11.0 1.0 C1 B:TLF300 2.8 11.1 1.0 C17 B:TLF300 3.1 11.6 1.0 O B:HOH577 3.4 34.6 1.0 CD1 B:ILE140 3.8 48.6 1.0 CE1 B:PHE158 3.8 14.2 1.0 CE1 B:PHE135 3.9 16.0 1.0 C4 B:TLF300 4.1 11.5 1.0 CG1 B:VAL143 4.1 27.4 1.0 C6 B:TLF300 4.2 7.0 1.0 CE1 B:HIS218 4.2 21.3 1.0 CZ B:PHE194 4.3 15.1 1.0 CD1 B:PHE158 4.3 14.7 1.0 CZ B:PHE135 4.4 14.8 1.0 CD1 B:PHE135 4.5 16.7 1.0 O B:HOH581 4.5 19.9 1.0 C5 B:TLF300 4.6 9.3 1.0 CG2 B:VAL143 4.6 24.9 1.0 CE1 B:PHE194 4.7 16.2 1.0 CB B:VAL143 4.8 26.0 1.0 CZ B:PHE158 4.8 13.0 1.0

C.Hamiaux, R.S.M.Drummond, Z.Luo, H.W.Lee, P.Sharma, B.J.Janssen, N.B.Perry, W.A.Denny, K.C.Snowden. Inhibition of Strigolactone Receptors Byn-Phenylanthranilic Acid Derivatives: Structural and Functional Insights. J. Biol. Chem. V. 293 6530 2018.
ISSN: ESSN 1083-351X
PubMed: 29523686
DOI: 10.1074/JBC.RA117.001154