Chlorine in PDB 4h94: Radiation Damage in Lysozyme - 0.56 Mgy

All present enzymatic activity of Radiation Damage in Lysozyme - 0.56 Mgy:
3.2.1.17;

The structure of Radiation Damage in Lysozyme - 0.56 Mgy, PDB code: 4h94 was solved by K.A.Sutton, E.H.Snell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.91 / 1.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.763, 78.763, 36.863, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 20.7

The binding sites of Chlorine atom in the Radiation Damage in Lysozyme - 0.56 Mgy (pdb code 4h94). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Radiation Damage in Lysozyme - 0.56 Mgy, PDB code: 4h94:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Radiation Damage in Lysozyme - 0.56 Mgy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Radiation Damage in Lysozyme - 0.56 Mgy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:12.6 occ:1.00 ND2 A:ASN113 3.3 11.1 1.0 CB A:ASN113 3.6 10.2 1.0 CA A:ALA110 3.8 12.4 1.0 CG A:ASN113 4.0 10.9 1.0 CB A:ALA110 4.2 14.4 1.0 N A:ALA110 4.2 11.1 1.0 O A:VAL109 4.3 12.5 1.0 CD A:ARG114 4.4 10.8 1.0 C A:VAL109 4.4 13.4 1.0 CG1 A:VAL109 4.4 20.9 1.0 CG A:ARG114 4.5 10.2 1.0 C A:ALA110 4.9 11.2 1.0 CA A:ASN113 4.9 10.1 1.0 O A:ALA110 5.0 10.8 1.0

Chlorine binding site 2 out of 3 in the Radiation Damage in Lysozyme - 0.56 Mgy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Radiation Damage in Lysozyme - 0.56 Mgy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:12.9 occ:1.00 O A:HOH399 3.1 22.1 1.0 O A:HOH306 3.1 10.4 1.0 N A:THR69 3.2 9.1 1.0 O A:HOH352 3.2 19.1 1.0 O A:THR69 3.3 11.3 1.0 N A:ARG68 3.4 9.8 0.5 N A:ARG68 3.5 9.8 0.5 C A:GLY67 3.5 10.4 1.0 O A:HOH391 3.6 24.9 1.0 CA A:GLY67 3.6 10.3 1.0 N A:GLY67 3.7 9.3 1.0 OG A:SER72 3.7 13.7 1.0 C A:THR69 3.7 9.7 1.0 OD1 A:ASN65 3.8 10.4 1.0 CA A:THR69 3.8 10.7 1.0 O A:HOH316 4.1 12.8 1.0 O A:GLY67 4.2 12.7 1.0 C A:ARG68 4.2 11.4 0.5 CB A:THR69 4.2 9.5 1.0 C A:ARG68 4.2 11.4 0.5 CA A:ARG68 4.2 11.0 0.5 OD1 A:ASP66 4.2 8.5 1.0 CA A:ARG68 4.3 10.8 0.5 N A:PRO70 4.5 11.7 1.0 O A:HOH301 4.7 6.4 1.0 C A:ASP66 4.8 8.8 1.0 OG1 A:THR69 4.8 9.3 1.0 O A:HOH345 4.8 17.1 0.5 N A:ASP66 4.9 8.0 1.0 CB A:SER72 4.9 13.9 1.0 CG A:ASN65 5.0 11.2 1.0

Chlorine binding site 3 out of 3 in the Radiation Damage in Lysozyme - 0.56 Mgy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Radiation Damage in Lysozyme - 0.56 Mgy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:15.7 occ:1.00 OG A:SER24 3.0 14.3 1.0 N A:GLY26 3.1 9.7 1.0 CB A:SER24 3.5 13.0 1.0 CA A:GLY26 3.5 10.0 1.0 CA A:GLN121 3.6 14.0 1.0 CD1 A:ILE124 3.7 22.0 1.0 CB A:GLN121 3.9 18.2 1.0 N A:GLN121 4.0 13.8 1.0 CG A:GLN121 4.1 25.5 1.0 CG1 A:ILE124 4.2 17.6 1.0 N A:LEU25 4.3 9.9 1.0 C A:VAL120 4.3 12.1 1.0 CG2 A:VAL120 4.3 13.9 1.0 O A:VAL120 4.3 11.3 1.0 C A:LEU25 4.3 10.1 1.0 C A:SER24 4.4 10.3 1.0 C A:GLY26 4.5 8.1 1.0 CA A:SER24 4.6 10.9 1.0 N A:ASN27 4.6 8.7 1.0 CA A:LEU25 4.8 11.1 1.0 O A:HOH393 4.8 22.1 1.0 C A:GLN121 4.8 12.9 1.0 O A:SER24 4.9 10.7 1.0

K.A.Sutton, P.J.Black, K.R.Mercer, E.F.Garman, R.L.Owen, E.H.Snell, W.A.Bernhard. Insights Into the Mechanism of X-Ray-Induced Disulfide-Bond Cleavage in Lysozyme Crystals Based on Epr, Optical Absorption and X-Ray Diffraction Studies. Acta Crystallogr.,Sect.D V. 69 2381 2013.
ISSN: ISSN 0907-4449
PubMed: 24311579
DOI: 10.1107/S0907444913022117