Chlorine in PDB 5la8: Room Temperature X-Ray Diffraction of Tetragonal Hewl. Third Data Set (0.93 Mgy)

All present enzymatic activity of Room Temperature X-Ray Diffraction of Tetragonal Hewl. Third Data Set (0.93 Mgy):
3.2.1.17;

The structure of Room Temperature X-Ray Diffraction of Tetragonal Hewl. Third Data Set (0.93 Mgy), PDB code: 5la8 was solved by A.Castellvi, J.Juanhuix, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.65 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.307, 79.307, 37.863, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 20

The binding sites of Chlorine atom in the Room Temperature X-Ray Diffraction of Tetragonal Hewl. Third Data Set (0.93 Mgy) (pdb code 5la8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Room Temperature X-Ray Diffraction of Tetragonal Hewl. Third Data Set (0.93 Mgy), PDB code: 5la8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Room Temperature X-Ray Diffraction of Tetragonal Hewl. Third Data Set (0.93 Mgy)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Room Temperature X-Ray Diffraction of Tetragonal Hewl. Third Data Set (0.93 Mgy) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:33.9 occ:1.00 OH A:TYR23 3.0 18.0 1.0 CZ A:TYR23 3.7 19.4 1.0 CE2 A:TYR23 3.7 20.0 1.0 CA A:GLY104 4.1 20.1 1.0 O A:ARG21 4.7 25.0 1.0 N A:GLY104 4.7 20.9 1.0 O A:HOH349 4.7 38.1 1.0 CE1 A:TYR23 4.9 18.7 1.0 CD2 A:TYR23 4.9 19.2 1.0

Chlorine binding site 2 out of 3 in the Room Temperature X-Ray Diffraction of Tetragonal Hewl. Third Data Set (0.93 Mgy)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Room Temperature X-Ray Diffraction of Tetragonal Hewl. Third Data Set (0.93 Mgy) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:45.2 occ:1.00 OG A:SER24 3.0 26.4 1.0 O A:HOH365 3.0 53.5 1.0 N A:GLY26 3.0 18.3 1.0 CB A:SER24 3.4 24.4 1.0 CA A:GLY26 3.5 18.0 1.0 CD1 A:ILE124 3.8 39.4 1.0 CA A:GLN121 3.8 31.9 1.0 N A:LEU25 3.9 23.7 1.0 CB A:GLN121 4.1 43.5 1.0 C A:SER24 4.2 25.1 1.0 C A:LEU25 4.2 21.7 1.0 N A:GLN121 4.2 30.1 1.0 CG1 A:ILE124 4.2 31.7 1.0 O A:VAL120 4.4 27.9 1.0 CA A:SER24 4.4 23.7 1.0 C A:VAL120 4.5 32.5 1.0 CG2 A:VAL120 4.5 30.4 1.0 CA A:LEU25 4.5 23.1 1.0 CG A:GLN121 4.5 56.5 1.0 C A:GLY26 4.6 19.3 1.0 O A:SER24 4.7 19.9 1.0 N A:ASN27 4.7 17.1 1.0 CB A:LEU25 4.9 24.7 1.0 C A:GLN121 4.9 28.1 1.0

Chlorine binding site 3 out of 3 in the Room Temperature X-Ray Diffraction of Tetragonal Hewl. Third Data Set (0.93 Mgy)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Room Temperature X-Ray Diffraction of Tetragonal Hewl. Third Data Set (0.93 Mgy) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:53.5 occ:1.00 O A:SER60 2.2 25.0 1.0 OG A:SER72 2.4 38.4 1.0 O A:CYS64 2.5 21.3 1.0 O A:HOH360 2.6 27.7 1.0 O A:HOH371 2.6 38.4 1.0 O A:ARG73 2.6 43.6 1.0 CB A:SER72 3.0 38.4 1.0 C A:SER60 3.4 24.1 1.0 C A:CYS64 3.5 21.2 1.0 C A:ARG73 3.7 38.6 1.0 N A:ARG73 3.9 35.7 1.0 CA A:ASN65 3.9 24.3 1.0 C A:SER72 4.0 43.2 1.0 CA A:SER72 4.1 40.1 1.0 N A:ASN65 4.1 22.4 1.0 CA A:SER60 4.1 19.8 1.0 O A:ARG61 4.1 30.1 1.0 N A:CYS64 4.3 21.3 1.0 C A:ARG61 4.3 28.4 1.0 N A:ARG61 4.4 24.6 1.0 CB A:SER60 4.4 18.9 1.0 N A:ASN74 4.5 33.8 1.0 CA A:ARG73 4.5 39.5 1.0 O A:SER72 4.5 36.3 1.0 CA A:ARG61 4.5 30.5 1.0 CA A:CYS64 4.6 20.5 1.0 CA A:ASN74 4.6 28.8 1.0 N A:TRP62 4.7 27.3 1.0 CB A:THR69 4.7 25.3 1.0 O A:HOH370 4.8 29.7 1.0 OD1 A:ASN65 4.8 35.3 1.0 CB A:ASN74 4.8 29.4 1.0 N A:ASP66 4.8 18.8 1.0 CB A:ASN65 4.9 26.9 1.0 N A:TRP63 4.9 21.8 1.0 C A:ASN65 4.9 19.0 1.0 C A:TRP62 5.0 24.8 1.0 O A:THR69 5.0 29.2 1.0

E.Crosas, A.Castellvi, I.Crespo, D.Fulla, F.Gil-Ortiz, G.Fuertes, C.S.Kamma-Lorger, M.Malfois, M.A.Aranda, J.Juanhuix. Uridine As A New Scavenger For Synchrotron-Based Structural Biology Techniques. J Synchrotron Radiat V. 24 53 2017.
ISSN: ESSN 1600-5775
PubMed: 28009546
DOI: 10.1107/S1600577516018452