Chlorine in PDB 1iwt: Crystal Structure Analysis of Human Lysozyme at 113K.

All present enzymatic activity of Crystal Structure Analysis of Human Lysozyme at 113K.:
3.2.1.17;

The structure of Crystal Structure Analysis of Human Lysozyme at 113K., PDB code: 1iwt was solved by Y.Joti, M.Nakasako, A.Kidera, N.Go, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.170, 60.977, 33.172, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.6

The binding sites of Chlorine atom in the Crystal Structure Analysis of Human Lysozyme at 113K. (pdb code 1iwt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure Analysis of Human Lysozyme at 113K., PDB code: 1iwt:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure Analysis of Human Lysozyme at 113K.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of Human Lysozyme at 113K. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl131 b:12.0 occ:1.00 H A:ASP87 2.6 6.2 1.0 H A:ASN88 2.7 6.1 1.0 HB2 A:ASP87 2.8 6.4 1.0 O A:HOH355 2.9 28.9 1.0 HB3 A:GLN86 3.0 7.0 1.0 O A:HOH350 3.0 42.8 1.0 O A:HOH236 3.0 16.4 1.0 N A:ASP87 3.2 5.8 1.0 N A:ASN88 3.5 6.2 1.0 CB A:ASP87 3.7 6.3 1.0 HA A:GLN86 3.7 6.4 1.0 CB A:GLN86 3.8 6.5 1.0 CA A:ASP87 3.9 5.9 1.0 HG2 A:GLN86 3.9 7.7 1.0 HB3 A:ASN88 3.9 7.4 1.0 O A:HOH188 3.9 38.7 1.0 HB2 A:ASN88 4.0 8.2 1.0 C A:GLN86 4.1 5.6 1.0 CA A:GLN86 4.1 6.0 1.0 C A:ASP87 4.2 6.2 1.0 HB3 A:ASP87 4.2 6.8 1.0 CB A:ASN88 4.3 7.7 1.0 CG A:GLN86 4.3 7.2 1.0 O A:HOH283 4.4 18.0 1.0 OE1 A:GLN86 4.5 10.1 1.0 HB2 A:GLN86 4.5 6.4 1.0 CA A:ASN88 4.5 6.9 1.0 CG A:ASP87 4.6 7.0 1.0 HA A:ASP87 4.8 6.0 1.0 CD A:GLN86 4.8 7.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure Analysis of Human Lysozyme at 113K.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of Human Lysozyme at 113K. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl132 b:8.4 occ:1.00 H A:SER80 2.5 7.7 1.0 HB3 A:SER80 2.9 8.0 1.0 HB3 A:ALA83 3.0 8.1 1.0 N A:SER80 3.3 7.3 1.0 HA A:LEU79 3.5 8.7 1.0 CB A:SER80 3.6 7.8 1.0 HB2 A:SER80 3.6 8.4 1.0 HD23 A:LEU79 3.7 9.6 1.0 HD21 A:LEU79 3.8 10.2 1.0 HB3 A:LEU79 3.8 8.0 1.0 CB A:ALA83 3.9 7.5 1.0 CA A:SER80 4.0 6.9 1.0 HB1 A:ALA83 4.1 7.3 1.0 CA A:LEU79 4.2 8.2 1.0 CD2 A:LEU79 4.2 10.0 1.0 C A:LEU79 4.2 7.5 1.0 HB2 A:ALA83 4.3 7.6 1.0 O A:SER80 4.3 7.0 1.0 H A:ALA83 4.4 7.4 1.0 CB A:LEU79 4.4 8.1 1.0 C A:SER80 4.7 6.7 1.0 OG A:SER80 4.8 8.1 1.0 HA A:SER80 4.8 6.9 1.0 CA A:ALA83 4.9 7.0 1.0 N A:ALA83 4.9 7.0 1.0 HD22 A:LEU79 5.0 11.3 1.0 HA A:ALA83 5.0 7.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure Analysis of Human Lysozyme at 113K.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Analysis of Human Lysozyme at 113K. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl133 b:7.2 occ:1.00 HD21 A:ASN27 2.5 6.4 1.0 O A:HOH203 3.1 12.9 1.0 O A:HOH212 3.2 12.4 1.0 ND2 A:ASN27 3.2 6.2 1.0 HD22 A:ASN27 3.4 6.7 1.0 O A:HOH377 3.5 16.1 1.0 O A:HOH173 4.3 7.0 1.0 OG A:SER24 4.4 6.5 1.0 CG A:ASN27 4.4 5.6 1.0 HB3 A:SER24 4.6 6.9 1.0 O A:HOH202 4.7 9.5 1.0 OD1 A:ASN27 4.8 6.2 1.0 O A:HOH259 4.9 19.9 1.0 H A:SER24 4.9 6.2 1.0

Y.Joti, M.Nakasako, A.Kidera, N.Go. Nonlinear Temperature Dependence of the Crystal Structure of Lysozyme: Correlation Between Coordinate Shifts and Thermal Factors. Acta Crystallogr.,Sect.D V. 58 1421 2002.
ISSN: ISSN 0907-4449
PubMed: 12198298
DOI: 10.1107/S0907444902011277