Chlorine in PDB 4b4e: 1.00 A Structure of Lysozyme Crystallized with (R)-2-Methyl-2,4- Pentanediol

All present enzymatic activity of 1.00 A Structure of Lysozyme Crystallized with (R)-2-Methyl-2,4- Pentanediol:
3.2.1.17;

The structure of 1.00 A Structure of Lysozyme Crystallized with (R)-2-Methyl-2,4- Pentanediol, PDB code: 4b4e was solved by J.Jakoncic, J.Berger, M.Stauber, A.Axelbaum, N.Asherie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.30 / 1.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.530, 77.530, 37.895, 90.00, 90.00, 90.00
R / Rfree (%)	12.4 / 14.4

The binding sites of Chlorine atom in the 1.00 A Structure of Lysozyme Crystallized with (R)-2-Methyl-2,4- Pentanediol (pdb code 4b4e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 1.00 A Structure of Lysozyme Crystallized with (R)-2-Methyl-2,4- Pentanediol, PDB code: 4b4e:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 1.00 A Structure of Lysozyme Crystallized with (R)-2-Methyl-2,4- Pentanediol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.00 A Structure of Lysozyme Crystallized with (R)-2-Methyl-2,4- Pentanediol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1132 b:15.3 occ:1.00 OG A:SER24 3.0 12.7 1.0 N A:GLY26 3.1 8.7 1.0 O A:HOH2014 3.3 21.3 0.5 O A:HOH2049 3.3 25.8 0.5 CB A:SER24 3.5 10.8 1.0 CA A:GLY26 3.6 8.5 1.0 CA A:GLN121 3.6 14.8 1.0 CD1 A:ILE124 3.8 19.3 1.0 CB A:GLN121 3.9 18.2 1.0 N A:GLN121 4.0 13.8 1.0 N A:LEU25 4.1 8.7 1.0 CG A:GLN121 4.1 20.8 1.0 C A:SER24 4.2 8.8 1.0 C A:LEU25 4.3 8.5 1.0 C A:VAL120 4.3 12.2 1.0 O A:VAL120 4.3 11.9 1.0 CG1 A:ILE124 4.4 15.8 1.0 CG2 A:VAL120 4.4 14.0 1.0 CA A:SER24 4.5 9.4 1.0 C A:GLY26 4.6 7.8 1.0 CA A:LEU25 4.6 8.9 1.0 N A:ASN27 4.7 7.5 1.0 O A:SER24 4.7 9.1 1.0 O A:HOH2049 4.7 14.8 0.4 C A:GLN121 4.9 13.9 1.0 O A:HOH2034 5.0 12.9 0.7 CB A:LEU25 5.0 9.0 1.0

Chlorine binding site 2 out of 3 in the 1.00 A Structure of Lysozyme Crystallized with (R)-2-Methyl-2,4- Pentanediol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.00 A Structure of Lysozyme Crystallized with (R)-2-Methyl-2,4- Pentanediol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1133 b:10.2 occ:0.80 O A:HOH2163 3.2 10.4 1.0 ND2 A:ASN113 3.4 10.1 1.0 CB A:ASN113 3.5 10.2 1.0 CA A:ALA110 3.8 10.7 1.0 CG A:ASN113 4.0 10.0 1.0 CG1 A:VAL109 4.0 15.1 1.0 O A:VAL109 4.0 10.7 1.0 N A:ALA110 4.1 10.6 1.0 CD A:ARG114 4.2 11.1 1.0 C A:VAL109 4.2 10.2 1.0 CB A:ALA110 4.4 12.8 1.0 CG A:ARG114 4.4 10.6 1.0 CA A:ASN113 4.8 10.6 1.0 C A:ALA110 4.8 9.2 1.0 CB A:VAL109 4.9 13.7 1.0 O A:ALA110 4.9 9.7 1.0

Chlorine binding site 3 out of 3 in the 1.00 A Structure of Lysozyme Crystallized with (R)-2-Methyl-2,4- Pentanediol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.00 A Structure of Lysozyme Crystallized with (R)-2-Methyl-2,4- Pentanediol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1134 b:17.1 occ:0.80 O A:HOH2010 2.9 15.6 0.9 O A:HOH2007 3.0 23.2 0.4 N A:GLU7 3.2 10.8 1.0 N A:CYS6 3.5 11.3 1.0 CA A:GLY4 3.6 10.4 1.0 C A:GLY4 3.7 9.7 1.0 CB A:GLU7 3.7 10.4 1.0 N A:ARG5 3.8 10.3 1.0 CB A:CYS6 3.8 13.8 1.0 CA A:CYS6 3.9 11.4 1.0 C A:CYS6 4.0 10.7 1.0 CA A:GLU7 4.0 10.5 1.0 O A:GLY4 4.2 9.7 1.0 C A:ARG5 4.4 10.3 1.0 O A:HOH2008 4.4 18.3 0.6 N A:GLY4 4.5 10.2 1.0 CA A:ARG5 4.6 10.4 1.0 SG A:CYS6 5.0 16.2 1.0

M.Stauber, J.Jakoncic, J.Berger, J.M.Karp, A.Axelbaum, D.Sastow, S.V.Buldyrev, B.J.Hrnjez, N.Asherie. Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol Acta Crystallogr.,Sect.D V. 71 427 2015.
ISSN: ISSN 0907-4449
PubMed: 25760593
DOI: 10.1107/S1399004714025061