Chlorine in PDB 1wqr: Contribution of Hydrogen Bonds to the Conformational Stability of Human Lysozyme

All present enzymatic activity of Contribution of Hydrogen Bonds to the Conformational Stability of Human Lysozyme:
3.2.1.17;

The structure of Contribution of Hydrogen Bonds to the Conformational Stability of Human Lysozyme, PDB code: 1wqr was solved by Y.Yamagata, M.Kubota, Y.Sumikawa, J.Funahashi, S.Fujii, K.Yutani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.710, 60.960, 33.830, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / n/a

The structure of Contribution of Hydrogen Bonds to the Conformational Stability of Human Lysozyme also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Contribution of Hydrogen Bonds to the Conformational Stability of Human Lysozyme (pdb code 1wqr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Contribution of Hydrogen Bonds to the Conformational Stability of Human Lysozyme, PDB code: 1wqr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Contribution of Hydrogen Bonds to the Conformational Stability of Human Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Contribution of Hydrogen Bonds to the Conformational Stability of Human Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl132 b:12.8 occ:1.00 O A:HOH213 2.9 36.4 1.0 O A:HOH138 3.1 10.9 1.0 ND2 A:ASN66 3.3 10.2 1.0 CB A:SER80 3.7 11.2 1.0 CA A:SER80 3.7 12.3 1.0 CB A:ASN66 3.9 11.2 1.0 CG A:ASN66 4.1 9.5 1.0 N A:SER80 4.1 11.9 1.0 O A:ASN66 4.2 9.0 1.0 OG A:SER80 4.3 13.1 1.0 O A:LEU79 4.5 13.2 1.0 C A:LEU79 4.5 13.3 1.0 O A:HOH139 4.7 16.6 1.0 ND2 A:ASN75 4.8 14.6 1.0 O A:HOH180 4.8 24.5 1.0 C A:ASN66 4.8 10.5 1.0 CA A:ASN66 4.9 11.4 1.0

Chlorine binding site 2 out of 2 in the Contribution of Hydrogen Bonds to the Conformational Stability of Human Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Contribution of Hydrogen Bonds to the Conformational Stability of Human Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl133 b:14.9 occ:1.00 O A:HOH171 2.9 33.1 1.0 O A:HOH139 3.0 16.6 1.0 N A:SER80 3.3 11.9 1.0 CB A:SER80 3.7 11.2 1.0 CD2 A:LEU79 4.0 18.3 1.0 CB A:ALA83 4.0 10.1 1.0 CA A:LEU79 4.1 15.3 1.0 CA A:SER80 4.1 12.3 1.0 C A:LEU79 4.2 13.3 1.0 O A:SER80 4.4 10.0 1.0 CB A:LEU79 4.5 16.5 1.0 C A:SER80 4.8 12.0 1.0 O A:HOH207 4.8 37.1 1.0 O A:HOH213 4.9 36.4 1.0 CG A:LEU79 4.9 18.7 1.0 OG A:SER80 4.9 13.1 1.0

Y.Yamagata, M.Kubota, Y.Sumikawa, J.Funahashi, K.Takano, S.Fujii, K.Yutani. Contribution of Hydrogen Bonds to the Conformational Stability of Human Lysozyme: Calorimetry and X-Ray Analysis of Six Tyrosine --> Phenylalanine Mutants. Biochemistry V. 37 9355 1998.
ISSN: ISSN 0006-2960
PubMed: 9649316
DOI: 10.1021/BI980431I