Chlorine in PDB 6q8t: Hewl Structure at 4 Kgy

All present enzymatic activity of Hewl Structure at 4 Kgy:
3.2.1.17;

The structure of Hewl Structure at 4 Kgy, PDB code: 6q8t was solved by E.De La Mora, N.Coquelle, C.S.Bury, M.Rosenthal, E.F.Garman, M.Burghammer, J.P.Colletier, M.Weik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.30 / 1.74
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.200, 77.200, 37.900, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 24.2

The binding sites of Chlorine atom in the Hewl Structure at 4 Kgy (pdb code 6q8t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Hewl Structure at 4 Kgy, PDB code: 6q8t:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Hewl Structure at 4 Kgy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hewl Structure at 4 Kgy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:23.2 occ:1.00 OG A:SER24 3.0 18.0 1.0 N A:GLY26 3.1 17.1 1.0 O A:HOH407 3.3 31.8 1.0 CA A:GLY26 3.5 16.1 1.0 CB A:SER24 3.5 22.9 1.0 CD1 A:ILE124 3.6 27.2 1.0 CB A:GLN121 3.6 25.9 0.5 CA A:GLN121 3.6 22.2 0.5 CA A:GLN121 3.7 22.5 0.5 N A:GLN121 4.0 22.6 1.0 N A:LEU25 4.1 19.7 1.0 CG1 A:ILE124 4.1 22.0 1.0 CB A:GLN121 4.2 23.3 0.5 C A:LEU25 4.2 17.4 1.0 OE1 A:GLN121 4.3 27.9 0.5 C A:SER24 4.3 18.4 1.0 O A:VAL120 4.3 20.1 1.0 C A:VAL120 4.4 20.2 1.0 CG2 A:VAL120 4.5 19.2 1.0 C A:GLY26 4.5 16.5 1.0 CA A:SER24 4.6 20.4 1.0 CA A:LEU25 4.6 20.6 1.0 N A:ASN27 4.7 14.5 1.0 O A:SER24 4.8 20.6 1.0 CB A:LEU25 4.9 19.1 1.0 C A:GLN121 4.9 21.1 1.0

Chlorine binding site 2 out of 3 in the Hewl Structure at 4 Kgy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hewl Structure at 4 Kgy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:24.6 occ:1.00 OH A:TYR23 2.8 15.6 1.0 O A:HOH392 3.0 32.2 1.0 O A:HOH344 3.2 23.5 1.0 CZ A:TYR23 3.5 17.7 1.0 CE2 A:TYR23 3.6 15.8 1.0 CA A:GLY104 4.1 20.4 1.0 O A:ARG21 4.5 20.1 1.0 CE1 A:TYR23 4.6 14.5 1.0 N A:GLY104 4.8 21.0 1.0 CD2 A:TYR23 4.8 19.5 1.0

Chlorine binding site 3 out of 3 in the Hewl Structure at 4 Kgy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hewl Structure at 4 Kgy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:28.6 occ:1.00 O A:HOH337 3.1 22.1 1.0 N A:THR69 3.2 23.3 1.0 O A:THR69 3.4 22.9 1.0 CA A:GLY67 3.5 26.7 1.0 C A:GLY67 3.5 26.6 1.0 N A:ARG68 3.5 22.2 1.0 N A:GLY67 3.6 22.4 1.0 C A:THR69 3.6 27.4 1.0 OD1 A:ASN65 3.7 25.6 1.0 OG A:SER72 3.8 24.1 1.0 CA A:THR69 3.8 25.9 1.0 O A:HOH370 4.0 25.4 1.0 O A:GLY67 4.1 29.4 1.0 CB A:THR69 4.2 18.6 1.0 OD1 A:ASP66 4.2 22.8 1.0 C A:ARG68 4.2 27.7 1.0 N A:PRO70 4.2 27.5 1.0 CA A:ARG68 4.3 26.2 1.0 C A:ASP66 4.6 21.2 1.0 CA A:PRO70 4.6 27.2 1.0 O A:HOH305 4.8 18.3 1.0 N A:ASP66 4.8 19.0 1.0 OG1 A:THR69 4.8 21.1 1.0 CG A:ASN65 4.9 25.1 1.0 O A:HOH313 4.9 36.9 1.0

E.De La Mora, N.Coquelle, C.S.Bury, M.Rosenthal, E.F.Garman, M.Burghammer, J.P.Colletier, M.Weik. Radiation Damage and Dose Limits in Serial Synchrotron Crystallography at Cryo- and Room Temperatures To Be Published.