Chlorine in PDB 4b49: 1.15 A Structure of Lysozyme Crystallized Without 2-Methyl-2,4- Pentanediol

All present enzymatic activity of 1.15 A Structure of Lysozyme Crystallized Without 2-Methyl-2,4- Pentanediol:
3.2.1.17;

The structure of 1.15 A Structure of Lysozyme Crystallized Without 2-Methyl-2,4- Pentanediol, PDB code: 4b49 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)	18.67 / 1.15
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.841, 76.841, 38.691, 90.00, 90.00, 90.00
R / Rfree (%)	12.7 / 15.1

The binding sites of Chlorine atom in the 1.15 A Structure of Lysozyme Crystallized Without 2-Methyl-2,4- Pentanediol (pdb code 4b49). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 1.15 A Structure of Lysozyme Crystallized Without 2-Methyl-2,4- Pentanediol, PDB code: 4b49:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 1.15 A Structure of Lysozyme Crystallized Without 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 1.15 A Structure of Lysozyme Crystallized Without 2-Methyl-2,4- Pentanediol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1130 b:11.3 occ:1.00 OH A:TYR23 3.0 9.3 1.0 O A:HOH2072 3.2 24.5 1.0 CZ A:TYR23 3.7 8.7 1.0 CE2 A:TYR23 3.7 8.7 1.0 CA A:GLY104 4.2 9.1 1.0 O A:ARG21 4.5 12.1 1.0 N A:GLY104 4.8 9.5 1.0 CE1 A:TYR23 4.9 8.4 1.0 CD2 A:TYR23 4.9 8.9 1.0

Chlorine binding site 2 out of 3 in the 1.15 A Structure of Lysozyme Crystallized Without 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 1.15 A Structure of Lysozyme Crystallized Without 2-Methyl-2,4- Pentanediol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1131 b:17.4 occ:1.00 O A:HOH2088 2.9 36.8 1.0 OG A:SER24 3.1 13.4 1.0 N A:GLY26 3.1 8.6 1.0 O A:HOH2034 3.3 33.6 1.0 CA A:GLY26 3.5 9.3 1.0 CB A:SER24 3.5 11.6 1.0 CA A:GLN121 3.6 13.4 0.8 CA A:GLN121 3.6 13.6 0.2 CG A:GLN121 3.8 16.9 0.2 CB A:GLN121 3.9 17.1 0.8 N A:GLN121 3.9 12.7 1.0 CB A:GLN121 4.0 15.5 0.2 CD1 A:ILE124 4.1 20.3 1.0 CG A:GLN121 4.2 19.1 0.8 N A:LEU25 4.2 9.5 1.0 C A:VAL120 4.2 12.2 1.0 CG2 A:VAL120 4.3 14.6 1.0 O A:VAL120 4.3 11.8 1.0 C A:LEU25 4.3 8.5 1.0 C A:SER24 4.4 9.8 1.0 CD A:GLN121 4.4 17.2 0.2 CG1 A:ILE124 4.5 15.9 1.0 C A:GLY26 4.5 8.7 1.0 CA A:SER24 4.6 10.2 1.0 N A:ASN27 4.6 8.4 1.0 NE2 A:GLN121 4.7 18.7 0.2 CA A:LEU25 4.7 9.1 1.0 C A:GLN121 4.8 12.4 1.0 O A:SER24 4.8 10.2 1.0 O A:HOH2039 4.9 35.5 1.0 CB A:LEU25 5.0 9.1 1.0

Chlorine binding site 3 out of 3 in the 1.15 A Structure of Lysozyme Crystallized Without 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 1.15 A Structure of Lysozyme Crystallized Without 2-Methyl-2,4- Pentanediol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1132 b:21.5 occ:1.00 O A:HOH2049 3.0 21.7 0.5 O A:HOH2049 3.1 17.5 0.5 O A:HOH2047 3.2 30.4 0.5 N A:ILE88 3.4 11.8 1.0 NH2 A:ARG14 3.6 19.0 1.0 CG1 A:ILE88 3.7 10.7 1.0 NE2 A:HIS15 3.8 16.3 1.0 CA A:ASP87 3.9 15.4 1.0 OD1 A:ASP87 3.9 18.4 1.0 O A:HOH2191 4.0 29.4 1.0 CB A:ALA11 4.0 12.0 1.0 C A:ASP87 4.1 14.0 1.0 CZ A:PHE3 4.2 11.3 1.0 CB A:ILE88 4.3 11.3 1.0 CD2 A:HIS15 4.3 13.9 1.0 CA A:ILE88 4.4 10.7 1.0 CG2 A:ILE88 4.4 13.2 1.0 O A:SER86 4.4 20.6 1.0 CG A:ASP87 4.5 20.1 1.0 CD1 A:ILE88 4.6 13.1 1.0 CE2 A:PHE3 4.7 10.7 1.0 CB A:ASP87 4.7 17.8 1.0 CZ A:ARG14 4.8 18.6 1.0 CE1 A:HIS15 5.0 19.0 1.0 N A:ASP87 5.0 13.9 1.0 N A:THR89 5.0 11.0 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