Chlorine in PDB 6ugk: Crystal Structure of Circularly Permuted Human Taspase-1

The structure of Crystal Structure of Circularly Permuted Human Taspase-1, PDB code: 6ugk was solved by T.E.Edwards, S.L.Delker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.41 / 2.15
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	60.3, 60.3, 319.01, 90, 90, 120
R / Rfree (%)	15.9 / 19.7

The structure of Crystal Structure of Circularly Permuted Human Taspase-1 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Circularly Permuted Human Taspase-1 (pdb code 6ugk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Circularly Permuted Human Taspase-1, PDB code: 6ugk:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Circularly Permuted Human Taspase-1


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 Circularly Permuted Human Taspase-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:45.1 occ:1.00 NH1 A:ARG30 3.0 34.0 1.0 N A:HIS27 3.1 34.3 1.0 O B:HOH586 3.2 47.8 1.0 CD A:ARG30 3.6 36.5 1.0 CD B:PRO310 3.7 37.3 1.0 CA A:LYS26 3.7 31.9 1.0 CB A:HIS27 3.8 35.2 1.0 C A:LYS26 3.9 35.3 1.0 CG B:PRO310 4.0 40.7 1.0 CZ A:ARG30 4.1 36.2 1.0 CA A:HIS27 4.1 33.5 1.0 CB B:PRO310 4.1 34.5 1.0 CB A:LYS26 4.1 27.9 1.0 NE A:ARG30 4.3 35.7 1.0 N B:PRO310 4.5 38.7 1.0 CG A:ARG30 4.7 26.5 1.0 CB A:ARG30 4.7 28.6 1.0 CA B:PRO310 4.8 34.0 1.0 O A:LEU25 5.0 41.8 1.0 N A:LYS26 5.0 32.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Circularly Permuted Human Taspase-1


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 Circularly Permuted Human Taspase-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:48.8 occ:1.00 N A:THR2 3.1 35.7 1.0 N A:ASN248 3.2 32.9 1.0 O A:THR2 3.5 28.3 1.0 CA A:THR247 3.7 35.7 1.0 CB A:THR247 3.8 39.4 1.0 O A:ALA196 3.9 66.9 1.0 C A:THR247 3.9 38.2 1.0 CA A:GLY197 3.9 54.6 1.0 C A:THR2 4.0 33.2 1.0 CA A:THR2 4.1 30.5 1.0 CA A:ASN248 4.1 32.8 1.0 CB A:ASN248 4.1 36.2 1.0 C A:ALA196 4.1 53.0 1.0 CG2 A:THR247 4.2 33.6 1.0 N A:GLY197 4.3 48.9 1.0 CG1 A:VAL3 4.3 31.1 1.0 C A:ASN248 4.6 33.5 1.0 CE1 A:TYR209 4.7 65.2 1.0 O A:ASN248 4.7 28.3 1.0 OH A:TYR209 4.8 78.3 1.0 O A:PHE246 4.8 46.4 1.0 N A:VAL3 4.9 29.5 1.0 N A:THR247 5.0 40.9 1.0 O A:HOH535 5.0 41.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Circularly Permuted Human Taspase-1


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 Circularly Permuted Human Taspase-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:39.3 occ:1.00 N B:HIS27 3.0 36.7 1.0 NH2 B:ARG30 3.1 32.0 1.0 CD B:ARG30 3.5 40.7 1.0 CB B:HIS27 3.7 29.6 1.0 CA B:LYS26 3.8 29.2 1.0 CD A:PRO310 3.8 43.9 1.0 C B:LYS26 3.9 35.3 1.0 CA B:HIS27 4.0 32.9 1.0 CB A:PRO310 4.0 37.8 1.0 CG A:PRO310 4.0 40.6 1.0 CB B:LYS26 4.1 27.7 1.0 CZ B:ARG30 4.1 40.5 1.0 NE B:ARG30 4.3 42.4 1.0 N A:PRO310 4.4 37.2 1.0 O A:ILE308 4.5 62.5 1.0 CB B:ARG30 4.5 25.3 1.0 CG B:ARG30 4.5 25.6 1.0 CA A:PRO310 4.6 38.3 1.0 O B:HIS27 4.9 28.4 1.0 C B:HIS27 5.0 28.7 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Circularly Permuted Human Taspase-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Circularly Permuted Human Taspase-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:59.0 occ:1.00 O B:ALA196 2.8 45.5 1.0 N B:ASN248 3.1 32.9 1.0 O B:THR2 3.2 29.8 1.0 N B:THR2 3.2 35.6 1.0 CA B:GLY197 3.7 44.9 1.0 CA B:THR247 3.7 36.6 1.0 C B:ALA196 3.7 41.1 1.0 C B:THR2 3.9 31.3 1.0 C B:THR247 3.9 36.3 1.0 CB B:THR247 3.9 35.5 1.0 CB B:ASN248 4.0 27.4 1.0 CA B:ASN248 4.0 32.0 1.0 N B:GLY197 4.1 48.2 1.0 CA B:THR2 4.2 34.6 1.0 CG1 B:VAL3 4.3 32.6 1.0 CG2 B:THR247 4.3 31.9 1.0 C B:ASN248 4.5 32.0 1.0 O B:ASN248 4.6 28.7 1.0 O B:PHE246 4.7 46.0 1.0 N B:VAL3 4.9 25.4 1.0 CA B:ALA196 4.9 35.8 1.0 CE1 B:TYR209 4.9 50.5 1.0 N B:THR247 5.0 41.7 1.0

T.E.Edwards, S.L.Delker. Crystal Structure of Circularly Permuted Human Taspase-1 To Be Published.