Chlorine in PDB 5l9j: Room Temperature X-Ray Diffraction of Tetragonal Hewl. First Data Set (0.31 Mgy)

All present enzymatic activity of Room Temperature X-Ray Diffraction of Tetragonal Hewl. First Data Set (0.31 Mgy):
3.2.1.17;

The structure of Room Temperature X-Ray Diffraction of Tetragonal Hewl. First Data Set (0.31 Mgy), PDB code: 5l9j 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)	20.00 / 1.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.244, 79.244, 37.896, 90.00, 90.00, 90.00
R / Rfree (%)	11.1 / 16.2

The binding sites of Chlorine atom in the Room Temperature X-Ray Diffraction of Tetragonal Hewl. First Data Set (0.31 Mgy) (pdb code 5l9j). 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. First Data Set (0.31 Mgy), PDB code: 5l9j:
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. First Data Set (0.31 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. First Data Set (0.31 Mgy) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:24.2 occ:1.00 OH A:TYR23 2.9 14.0 1.0 O A:HOH347 3.5 27.8 1.0 CZ A:TYR23 3.6 12.2 1.0 CE2 A:TYR23 3.7 12.9 1.0 CA A:GLY104 4.1 13.5 1.0 O A:ARG21 4.6 20.4 1.0 O A:HOH318 4.7 31.0 1.0 N A:GLY104 4.7 14.6 1.0 CE1 A:TYR23 4.8 12.6 1.0 CD2 A:TYR23 5.0 13.6 1.0

Chlorine binding site 2 out of 3 in the Room Temperature X-Ray Diffraction of Tetragonal Hewl. First Data Set (0.31 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. First Data Set (0.31 Mgy) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:33.2 occ:1.00 OG A:SER24 3.0 22.5 1.0 N A:GLY26 3.1 13.8 1.0 O A:HOH362 3.1 42.8 1.0 CB A:SER24 3.5 17.3 1.0 CA A:GLY26 3.5 13.7 1.0 CA A:GLN121 3.9 21.5 1.0 CD1 A:ILE124 4.0 32.1 1.0 N A:LEU25 4.0 14.7 1.0 N A:GLN121 4.2 21.8 1.0 C A:LEU25 4.2 12.1 1.0 CB A:GLN121 4.2 30.0 1.0 C A:SER24 4.2 14.2 1.0 CG1 A:ILE124 4.3 24.9 1.0 O A:VAL120 4.3 19.2 1.0 C A:VAL120 4.4 17.9 1.0 CG2 A:VAL120 4.4 25.1 1.0 CA A:SER24 4.4 15.1 1.0 CG A:GLN121 4.5 44.1 1.0 CA A:LEU25 4.6 12.6 1.0 C A:GLY26 4.6 11.8 1.0 O A:SER24 4.7 15.4 1.0 N A:ASN27 4.7 10.8 1.0 CB A:LEU25 4.9 14.6 1.0 C A:GLN121 5.0 21.4 1.0

Chlorine binding site 3 out of 3 in the Room Temperature X-Ray Diffraction of Tetragonal Hewl. First Data Set (0.31 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. First Data Set (0.31 Mgy) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:36.6 occ:1.00 O A:SER60 2.2 15.6 1.0 O A:ARG73 2.2 25.5 1.0 OG A:SER72 2.4 27.3 1.0 O A:HOH358 2.4 31.6 1.0 O A:CYS64 2.5 14.0 1.0 O A:HOH350 2.5 19.9 1.0 CB A:SER72 3.2 29.2 1.0 C A:ARG73 3.4 20.0 1.0 C A:SER60 3.4 10.8 1.0 C A:CYS64 3.5 13.9 1.0 N A:ARG73 3.8 25.6 1.0 C A:SER72 4.0 25.2 1.0 CA A:ASN65 4.0 14.6 1.0 CA A:SER60 4.1 12.3 1.0 CA A:SER72 4.2 30.3 1.0 N A:ASN65 4.2 13.4 1.0 N A:ASN74 4.2 20.7 1.0 O A:ARG61 4.3 22.1 1.0 C A:ARG61 4.3 16.7 1.0 CA A:ARG73 4.4 25.3 1.0 CB A:SER60 4.4 13.6 1.0 N A:CYS64 4.4 14.5 1.0 N A:ARG61 4.5 14.6 1.0 CA A:ASN74 4.5 19.3 1.0 O A:SER72 4.5 31.7 1.0 CA A:CYS64 4.6 13.4 1.0 CA A:ARG61 4.6 18.4 1.0 N A:TRP62 4.7 16.9 1.0 CB A:THR69 4.7 14.0 1.0 CB A:ASN74 4.7 20.6 1.0 O A:HOH373 4.7 22.2 1.0 N A:ASP66 4.8 12.6 1.0 OD1 A:ASN65 4.8 29.4 1.0 CB A:ASN65 4.9 17.5 1.0 O A:THR69 4.9 20.3 1.0 N A:TRP63 4.9 14.2 1.0 C A:ASN65 5.0 13.0 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