Chlorine in PDB 4b4i: 1.20 A Structure of Lysozyme Crystallized with (S)-2-Methyl-2,4- Pentanediol

All present enzymatic activity of 1.20 A Structure of Lysozyme Crystallized with (S)-2-Methyl-2,4- Pentanediol:
3.2.1.17;

The structure of 1.20 A Structure of Lysozyme Crystallized with (S)-2-Methyl-2,4- Pentanediol, PDB code: 4b4i 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)	21.48 / 1.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.441, 77.441, 37.945, 90.00, 90.00, 90.00
R / Rfree (%)	12.9 / 16.7

The binding sites of Chlorine atom in the 1.20 A Structure of Lysozyme Crystallized with (S)-2-Methyl-2,4- Pentanediol (pdb code 4b4i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1.20 A Structure of Lysozyme Crystallized with (S)-2-Methyl-2,4- Pentanediol, PDB code: 4b4i:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 1.20 A Structure of Lysozyme Crystallized with (S)-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 1.20 A Structure of Lysozyme Crystallized with (S)-2-Methyl-2,4- Pentanediol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1130 b:15.6 occ:1.00 OH A:TYR23 3.0 11.9 1.0 O A:HOH2045 3.1 29.4 1.0 O A:HOH2044 3.2 15.6 1.0 CZ A:TYR23 3.7 11.2 1.0 CE2 A:TYR23 3.7 11.2 1.0 CA A:GLY104 4.1 12.1 1.0 O A:ARG21 4.5 14.9 1.0 N A:GLY104 4.7 12.2 1.0 CE1 A:TYR23 4.9 11.2 1.0 CD2 A:TYR23 4.9 11.6 1.0

Chlorine binding site 2 out of 2 in the 1.20 A Structure of Lysozyme Crystallized with (S)-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 1.20 A Structure of Lysozyme Crystallized with (S)-2-Methyl-2,4- Pentanediol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1131 b:19.9 occ:1.00 OG A:SER24 3.0 16.9 1.0 O A:HOH2051 3.1 35.9 1.0 N A:GLY26 3.1 11.9 1.0 O A:HOH2021 3.3 33.0 0.5 CB A:SER24 3.5 15.2 0.9 CA A:GLY26 3.5 12.2 1.0 CA A:GLN121 3.6 17.7 0.7 CA A:GLN121 3.6 17.8 0.3 CD1 A:ILE124 3.9 20.0 0.7 CB A:GLN121 3.9 20.8 0.3 N A:GLN121 4.0 16.8 0.7 N A:GLN121 4.0 16.6 0.3 CB A:GLN121 4.0 21.4 0.7 CG A:GLN121 4.1 25.1 0.7 N A:LEU25 4.2 12.2 1.0 C A:SER24 4.3 11.5 0.9 CG A:GLN121 4.3 23.5 0.3 C A:LEU25 4.3 11.5 0.9 C A:VAL120 4.3 15.3 1.0 CG1 A:ILE124 4.3 18.5 0.9 O A:VAL120 4.3 14.9 1.0 CG2 A:VAL120 4.3 17.3 1.0 CA A:SER24 4.5 12.7 1.0 C A:GLY26 4.6 10.2 1.0 N A:ASN27 4.7 10.6 0.9 CA A:LEU25 4.7 12.4 1.0 O A:SER24 4.7 12.4 1.0 CD A:GLN121 4.7 25.1 0.3 O A:HOH2037 4.7 16.9 0.5 C A:GLN121 4.8 16.2 0.7 C A:GLN121 4.9 16.8 0.3 CB A:LEU25 5.0 13.1 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