Chlorine in PDB 8dw5: Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid

The structure of Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid, PDB code: 8dw5 was solved by J.Q.Truong, B.Holdsworth, J.K.Holien, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.26 / 1.52
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	41.198, 64.079, 84.529, 90, 90, 90
R / Rfree (%)	19.7 / 23.5

The binding sites of Chlorine atom in the Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid (pdb code 8dw5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid, PDB code: 8dw5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:20.3 occ:0.46 CL3' A:FQ7201 0.0 20.3 0.5 C3' A:FQ7201 1.8 19.8 0.5 C4' A:FQ7201 2.7 18.2 0.5 C2' A:FQ7201 2.7 20.2 0.5 O A:SER117 3.2 17.0 0.4 C A:SER117 3.6 18.5 0.4 CB A:SER117 3.6 19.9 0.6 O A:SER117 3.7 17.1 0.6 C A:SER117 3.7 17.5 0.6 OG A:SER117 3.7 22.6 0.4 CB A:SER117 3.8 20.0 0.4 N A:THR118 3.9 18.7 1.0 CA A:THR118 3.9 17.6 1.0 C A:THR118 3.9 18.9 1.0 N A:THR119 3.9 20.1 1.0 C5' A:FQ7201 4.0 19.5 0.5 CB A:LEU110 4.0 17.3 1.0 N A:LEU110 4.0 17.8 1.0 C1' A:FQ7201 4.0 20.3 0.5 CG2 A:THR119 4.1 23.0 1.0 O A:ALA108 4.2 21.3 1.0 CA A:SER117 4.3 18.9 0.6 CB A:THR119 4.4 21.9 1.0 CA A:SER117 4.4 18.9 0.4 C A:ALA109 4.4 17.1 1.0 CA A:ALA109 4.5 18.2 1.0 O A:THR118 4.5 19.3 1.0 C6' A:FQ7201 4.5 21.2 0.5 C A:ALA108 4.5 23.6 1.0 CA A:LEU110 4.7 17.2 1.0 N A:ALA109 4.7 20.1 1.0 CA A:THR119 4.8 20.3 1.0 OG A:SER117 4.9 21.5 0.6

Chlorine binding site 2 out of 2 in the Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:19.7 occ:0.46 CL5' A:FQ7201 0.0 19.7 0.5 C5' A:FQ7201 1.8 19.5 0.5 C6' A:FQ7201 2.7 21.2 0.5 C4' A:FQ7201 2.7 18.2 0.5 C1' A:FQ7201 4.0 20.3 0.5 C3' A:FQ7201 4.0 19.8 0.5 CD2 A:LEU110 4.4 22.0 1.0 C2' A:FQ7201 4.5 20.2 0.5

V.Cody, J.Q.Truong, B.A.Holdsworth, J.K.Holien, S.J.Richardson, D.K.Chalmers, D.J.Craik. Structural Analysis of the Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid at 1.5 Angstrom Resolution. Molecules V. 27 2022.
ISSN: ESSN 1420-3049
PubMed: 36364032
DOI: 10.3390/MOLECULES27217206