Chlorine in PDB 2a8j: Crystal Structure of Human TASPASE1 (Acivated Form)

The structure of Crystal Structure of Human TASPASE1 (Acivated Form), PDB code: 2a8j was solved by J.A.Khan, B.M.Dunn, L.Tong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.71 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.574, 89.659, 104.955, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 26.9

The binding sites of Chlorine atom in the Crystal Structure of Human TASPASE1 (Acivated Form) (pdb code 2a8j). 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 Human TASPASE1 (Acivated Form), PDB code: 2a8j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human TASPASE1 (Acivated Form)


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 Human TASPASE1 (Acivated Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl421 b:30.0 occ:1.00 O A:HOH474 2.8 32.2 1.0 N A:GLY49 3.0 31.1 1.0 N A:THR234 3.2 25.2 1.0 N A:ASN100 3.4 21.3 1.0 CA A:GLY49 3.4 32.6 1.0 O A:THR234 3.5 21.5 1.0 CA A:THR99 3.7 23.3 1.0 CB A:THR99 3.9 20.8 1.0 C A:THR234 3.9 22.5 1.0 C A:THR99 4.1 22.9 1.0 CE1 A:TYR61 4.1 34.8 1.0 CG1 A:VAL235 4.2 21.6 1.0 C A:ALA48 4.2 29.1 1.0 CA A:THR234 4.2 24.5 1.0 CG2 A:THR99 4.2 20.2 1.0 CB A:ASN100 4.3 20.9 1.0 OH A:TYR61 4.3 37.1 1.0 CA A:ASN100 4.3 21.7 1.0 O A:HOH480 4.4 38.6 1.0 CA A:ALA48 4.5 27.0 1.0 CZ A:TYR61 4.5 35.2 1.0 CB A:ALA48 4.6 26.4 1.0 C A:GLY49 4.7 33.3 1.0 O A:PHE98 4.7 27.1 1.0 N A:VAL235 4.8 21.5 1.0 O A:HOH447 4.8 29.2 1.0 C A:ASN100 4.8 21.7 1.0 O A:ASN100 4.9 21.2 1.0 N A:THR99 5.0 25.2 1.0 CD1 A:TYR61 5.0 33.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human TASPASE1 (Acivated Form)


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 Human TASPASE1 (Acivated Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl421 b:39.0 occ:1.00 O B:ALA48 2.9 41.6 1.0 N B:ASN100 3.1 24.8 1.0 N B:THR234 3.2 26.0 1.0 O B:THR234 3.5 24.2 1.0 C B:ALA48 3.6 38.2 1.0 CA B:GLY49 3.6 37.6 1.0 CA B:THR99 3.6 27.2 1.0 CB B:THR99 3.8 26.3 1.0 C B:THR99 3.8 27.2 1.0 N B:GLY49 3.9 38.5 1.0 C B:THR234 3.9 23.3 1.0 CB B:ASN100 4.0 22.4 1.0 CA B:ASN100 4.0 24.1 1.0 CA B:THR234 4.2 24.6 1.0 CG2 B:THR99 4.2 25.7 1.0 CG1 B:VAL235 4.2 19.0 1.0 O B:HOH491 4.4 45.5 1.0 O B:HOH581 4.4 47.3 1.0 CE1 B:TYR61 4.4 44.4 1.0 O B:HOH438 4.5 33.4 1.0 OH B:TYR61 4.5 47.1 1.0 C B:ASN100 4.6 24.3 1.0 CA B:ALA48 4.6 35.5 1.0 O B:ASN100 4.7 25.0 1.0 O B:PHE98 4.7 28.3 1.0 CZ B:TYR61 4.8 45.7 1.0 N B:VAL235 4.9 21.2 1.0 C B:GLY49 4.9 36.1 1.0 O B:HOH561 4.9 37.9 1.0 N B:THR99 4.9 27.7 1.0

J.A.Khan, B.M.Dunn, L.Tong. Crystal Structure of Human TASPASE1, A Crucial Protease Regulating the Function of Mll. Structure V. 13 1443 2005.
ISSN: ISSN 0969-2126
PubMed: 16216576
DOI: 10.1016/J.STR.2005.07.006