Chlorine in PDB 5llv: Crystal Structure of Dacm F87M/L110M Transthyretin Mutant

The structure of Crystal Structure of Dacm F87M/L110M Transthyretin Mutant, PDB code: 5llv was solved by B.M.Sala, S.A.Ghadami, F.Bemporad, F.Chiti, S.Ricagno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.04 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.441, 83.760, 86.530, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 22.3

The binding sites of Chlorine atom in the Crystal Structure of Dacm F87M/L110M Transthyretin Mutant (pdb code 5llv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Dacm F87M/L110M Transthyretin Mutant, PDB code: 5llv:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Dacm F87M/L110M Transthyretin Mutant


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 Dacm F87M/L110M Transthyretin Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:42.4 occ:1.00 O B:HIS90 2.6 14.8 1.0 OH B:TYR116 2.9 13.0 1.0 N A:VAL94 3.0 12.9 1.0 O A:GLU92 3.4 35.3 1.0 CA A:VAL93 3.5 14.9 1.0 CD2 B:HIS90 3.6 20.0 1.0 CZ B:TYR116 3.6 12.2 1.0 CE2 B:TYR116 3.6 12.8 1.0 C B:HIS90 3.7 13.7 1.0 C A:VAL93 3.7 14.2 1.0 O A:VAL94 3.7 10.0 1.0 NE2 B:HIS90 4.0 18.6 1.0 CA A:VAL94 4.0 12.7 1.0 CB A:VAL94 4.2 14.1 1.0 C A:GLU92 4.3 23.4 1.0 C A:VAL94 4.3 12.7 1.0 N A:VAL93 4.4 15.7 1.0 CG B:HIS90 4.4 16.2 1.0 CG2 A:VAL94 4.4 18.4 1.0 CB B:HIS88 4.4 12.4 1.0 N B:HIS90 4.4 12.2 1.0 CD2 B:HIS88 4.4 13.0 1.0 CA B:ALA91 4.4 12.0 1.0 CG1 A:VAL93 4.5 16.2 1.0 N B:ALA91 4.5 13.1 1.0 CB A:VAL93 4.5 16.8 1.0 CA B:HIS90 4.6 13.4 1.0 CG B:HIS88 4.6 12.1 1.0 CG B:GLU92 4.7 15.7 1.0 CE1 B:TYR116 4.8 13.3 1.0 CE1 B:HIS90 4.8 29.9 1.0 CD2 B:TYR116 4.9 14.6 1.0 O A:VAL93 4.9 13.7 1.0 OH A:TYR116 4.9 19.1 1.0 C B:ALA91 5.0 14.2 1.0 N B:GLU92 5.0 14.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Dacm F87M/L110M Transthyretin Mutant


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 Dacm F87M/L110M Transthyretin Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:41.1 occ:1.00 O C:HIS90 2.8 16.8 1.0 OH C:TYR116 2.8 14.7 1.0 N D:VAL94 3.0 13.2 1.0 O D:GLU92 3.2 25.1 1.0 CD2 C:HIS90 3.4 27.0 1.0 CA D:VAL93 3.5 12.6 1.0 CZ C:TYR116 3.6 16.4 1.0 C D:VAL93 3.7 15.4 1.0 C C:HIS90 3.7 14.9 1.0 CE2 C:TYR116 3.8 15.6 1.0 O D:VAL94 3.8 14.5 1.0 NE2 C:HIS90 3.8 30.5 1.0 CA D:VAL94 3.9 13.4 1.0 CB D:VAL94 4.1 13.9 1.0 C D:GLU92 4.2 19.3 1.0 N D:VAL93 4.3 14.1 1.0 C D:VAL94 4.3 12.4 1.0 CG C:HIS90 4.4 22.0 1.0 CG1 D:VAL93 4.4 16.4 1.0 CA C:ALA91 4.5 14.3 1.0 CB C:GLU92 4.5 20.5 1.0 N C:HIS90 4.5 15.8 1.0 CB D:VAL93 4.5 14.9 1.0 CD2 C:HIS88 4.5 12.8 1.0 N C:ALA91 4.5 14.4 1.0 CG2 D:VAL94 4.5 14.4 1.0 CB C:HIS88 4.6 12.9 1.0 CA C:HIS90 4.6 14.9 1.0 CG C:HIS88 4.7 14.0 1.0 CE1 C:TYR116 4.8 12.4 1.0 N C:GLU92 4.8 14.5 1.0 CE1 C:HIS90 4.8 33.3 1.0 C C:ALA91 4.9 14.6 1.0 OH D:TYR116 4.9 21.3 1.0 O D:VAL93 4.9 14.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Dacm F87M/L110M Transthyretin Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Dacm F87M/L110M Transthyretin Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:47.1 occ:1.00 SD B:MET110 2.7 73.0 0.7 OG C:SER117 2.8 17.0 1.0 OG1 C:THR119 2.9 21.8 1.0 O C:ALA108 3.0 14.7 1.0 O C:SER117 3.3 14.3 1.0 C C:SER117 3.4 13.6 1.0 CE B:MET110 3.4 58.3 0.3 CE B:MET110 3.6 15.3 0.3 CB C:SER117 3.6 16.0 1.0 N C:THR118 3.6 12.0 1.0 N C:THR119 3.6 15.7 1.0 CB C:THR119 3.7 15.7 1.0 CA C:THR118 3.8 15.2 1.0 C C:THR118 3.9 14.7 1.0 C C:ALA108 3.9 14.9 1.0 CA C:SER117 4.1 12.3 1.0 CG C:MET110 4.1 16.9 0.7 N C:MET110 4.2 13.0 1.0 CA C:THR119 4.3 16.4 1.0 CA C:ALA109 4.3 12.4 1.0 CG B:MET110 4.4 32.0 0.7 CG B:MET110 4.4 8.6 0.3 SD B:MET110 4.4 9.3 0.3 N C:ALA109 4.5 15.1 1.0 O C:THR118 4.6 17.0 1.0 O C:HOH316 4.6 26.8 1.0 CB C:ALA108 4.6 18.0 1.0 C C:ALA109 4.7 14.2 1.0 CB C:MET110 4.8 15.6 0.7 CB C:MET110 4.8 16.4 0.3 OG D:SER115 4.8 22.4 1.0 CA C:ALA108 4.9 13.7 1.0

S.A.Ghadami, F.Bemporad, B.M.Sala, G.Tiana, S.Ricagno, F.Chiti. Fret Studies of Various Conformational States Adopted By Transthyretin. Cell. Mol. Life Sci. V. 74 3577 2017.
ISSN: ESSN 1420-9071
PubMed: 28478513
DOI: 10.1007/S00018-017-2533-X