Chlorine in PDB 5la5: Room Temperature X-Ray Diffraction of Tetragonal Hewl. Second Data Set (0.62 Mgy)

All present enzymatic activity of Room Temperature X-Ray Diffraction of Tetragonal Hewl. Second Data Set (0.62 Mgy):
3.2.1.17;

The structure of Room Temperature X-Ray Diffraction of Tetragonal Hewl. Second Data Set (0.62 Mgy), PDB code: 5la5 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)	39.64 / 1.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.285, 79.285, 37.880, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 18.5

The binding sites of Chlorine atom in the Room Temperature X-Ray Diffraction of Tetragonal Hewl. Second Data Set (0.62 Mgy) (pdb code 5la5). 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. Second Data Set (0.62 Mgy), PDB code: 5la5:
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. Second Data Set (0.62 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. Second Data Set (0.62 Mgy) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:26.9 occ:1.00 OH A:TYR23 2.9 15.2 1.0 CZ A:TYR23 3.7 13.3 1.0 CE2 A:TYR23 3.7 14.0 1.0 CA A:GLY104 4.0 15.3 1.0 O A:ARG21 4.6 21.4 1.0 O A:HOH310 4.7 29.9 1.0 N A:GLY104 4.7 16.8 1.0 CE1 A:TYR23 4.8 14.3 1.0 CD2 A:TYR23 5.0 13.7 1.0

Chlorine binding site 2 out of 3 in the Room Temperature X-Ray Diffraction of Tetragonal Hewl. Second Data Set (0.62 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. Second Data Set (0.62 Mgy) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:34.5 occ:1.00 OG A:SER24 3.0 22.8 1.0 N A:GLY26 3.0 14.6 1.0 O A:HOH349 3.1 51.8 1.0 CB A:SER24 3.4 20.9 1.0 CA A:GLY26 3.6 15.3 1.0 CD1 A:ILE124 3.8 31.6 1.0 CA A:GLN121 3.8 25.9 1.0 N A:LEU25 4.0 16.8 1.0 N A:GLN121 4.2 26.0 1.0 C A:LEU25 4.2 15.0 1.0 C A:SER24 4.2 17.7 1.0 CB A:GLN121 4.2 34.0 1.0 CG1 A:ILE124 4.2 25.4 1.0 O A:VAL120 4.3 22.5 1.0 CG2 A:VAL120 4.4 22.8 1.0 CA A:SER24 4.4 18.2 1.0 C A:VAL120 4.4 25.0 1.0 CG A:GLN121 4.5 44.0 1.0 CA A:LEU25 4.5 16.4 1.0 C A:GLY26 4.6 14.1 1.0 O A:SER24 4.7 17.7 1.0 N A:ASN27 4.8 13.5 1.0 CB A:LEU25 4.9 18.3 1.0 C A:GLN121 5.0 22.6 1.0

Chlorine binding site 3 out of 3 in the Room Temperature X-Ray Diffraction of Tetragonal Hewl. Second Data Set (0.62 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. Second Data Set (0.62 Mgy) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:36.2 occ:1.00 O A:SER60 2.3 19.3 1.0 O A:CYS64 2.4 16.0 1.0 O A:ARG73 2.5 33.0 1.0 OG A:SER72 2.5 32.6 1.0 O A:HOH364 2.5 32.1 1.0 O A:HOH357 2.5 21.8 1.0 CB A:SER72 3.1 33.6 1.0 C A:CYS64 3.4 16.6 1.0 C A:SER60 3.5 15.9 1.0 C A:ARG73 3.5 30.4 1.0 CA A:ASN65 3.9 18.2 1.0 C A:SER72 3.9 35.2 1.0 N A:ARG73 3.9 27.8 1.0 N A:ASN65 4.1 16.4 1.0 CA A:SER72 4.1 35.6 1.0 CA A:SER60 4.1 14.3 1.0 O A:ARG61 4.3 25.2 1.0 N A:ASN74 4.3 25.2 1.0 N A:CYS64 4.3 17.6 1.0 C A:ARG61 4.4 24.1 1.0 CA A:ARG73 4.4 29.5 1.0 O A:SER72 4.4 31.3 1.0 CB A:SER60 4.4 14.1 1.0 CA A:ASN74 4.5 21.8 1.0 N A:ARG61 4.5 18.5 1.0 CA A:CYS64 4.5 16.8 1.0 CA A:ARG61 4.7 22.6 1.0 CB A:ASN74 4.7 21.9 1.0 OD1 A:ASN65 4.7 27.7 1.0 CB A:ASN65 4.8 21.2 1.0 CB A:THR69 4.8 18.7 1.0 O A:HOH373 4.8 25.8 1.0 N A:TRP62 4.8 19.8 1.0 N A:ASP66 4.8 15.0 1.0 N A:TRP63 4.9 16.9 1.0 C A:ASN65 4.9 14.9 1.0 C A:TRP62 5.0 19.1 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