Chlorine in PDB 4pjz: Crystal Structure of T4 Lysozyme-Gss-Peptide in Complex with Teicoplanin-A2-2

All present enzymatic activity of Crystal Structure of T4 Lysozyme-Gss-Peptide in Complex with Teicoplanin-A2-2:
3.2.1.17;

The structure of Crystal Structure of T4 Lysozyme-Gss-Peptide in Complex with Teicoplanin-A2-2, PDB code: 4pjz was solved by S.Han, B.V.Le, H.Hajare, R.H.G.Baxter, S.J.Miller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.44 / 1.87
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.116, 63.569, 138.884, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 22.8

The binding sites of Chlorine atom in the Crystal Structure of T4 Lysozyme-Gss-Peptide in Complex with Teicoplanin-A2-2 (pdb code 4pjz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of T4 Lysozyme-Gss-Peptide in Complex with Teicoplanin-A2-2, PDB code: 4pjz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of T4 Lysozyme-Gss-Peptide in Complex with Teicoplanin-A2-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of T4 Lysozyme-Gss-Peptide in Complex with Teicoplanin-A2-2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:38.8 occ:1.00 CL B:3MY2 0.0 38.8 1.0 CE2 B:3MY2 1.8 24.9 1.0 CZ B:3MY2 2.7 25.6 1.0 CD2 B:3MY2 2.7 23.8 1.0 OBD B:3MY2 2.9 24.1 1.0 CD2 A:LEU13 3.4 27.4 1.0 C3 B:GHP4 3.5 23.8 1.0 C2 B:GHP4 3.6 22.3 1.0 CD1 A:LEU15 3.7 21.7 1.0 CE A:LYS60 3.8 37.2 1.0 CG A:LEU15 3.9 21.4 1.0 CAK B:T55102 4.0 39.3 1.0 CE1 B:3MY2 4.0 24.4 1.0 CG B:3MY2 4.0 22.3 1.0 CAI B:T55102 4.2 45.8 1.0 CG A:LEU13 4.2 25.1 1.0 O A:HOH328 4.3 40.4 1.0 CG A:LYS60 4.3 27.8 1.0 CD2 A:LEU15 4.4 21.9 1.0 CD1 B:3MY2 4.5 23.8 1.0 CAJ B:T55102 4.5 42.2 1.0 C4 B:GHP4 4.7 22.8 1.0 CD A:LYS60 4.7 31.7 1.0 C1 B:GHP4 4.7 21.2 1.0 NZ A:LYS60 4.9 44.5 1.0 CD1 A:LEU13 5.0 24.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of T4 Lysozyme-Gss-Peptide in Complex with Teicoplanin-A2-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of T4 Lysozyme-Gss-Peptide in Complex with Teicoplanin-A2-2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl6 b:64.1 occ:1.00 CL B:OMY6 0.0 64.1 1.0 CE1 B:OMY6 1.8 30.5 1.0 CD1 B:OMY6 2.7 28.8 1.0 CZ B:OMY6 2.9 28.4 1.0 CB A:DAL174 3.2 23.0 1.0 OCZ B:OMY6 3.2 24.8 1.0 C5 B:GHP4 3.4 23.8 1.0 C A:DAL173 3.5 25.4 1.0 O5 B:GCS101 3.5 31.1 1.0 N A:DAL174 3.5 22.9 1.0 C6 B:GCS101 3.5 34.0 1.0 C6 B:GHP4 3.6 22.5 1.0 O A:DAL173 3.7 23.1 1.0 O6 B:GCS101 3.8 33.0 1.0 O A:DPR171 3.9 33.8 1.0 CA A:DAL173 3.9 23.8 1.0 CA A:DAL174 4.0 23.0 1.0 CG B:OMY6 4.0 26.4 1.0 CG A:DPR171 4.0 37.4 1.0 C5 B:GCS101 4.0 31.6 1.0 CE2 B:OMY6 4.1 24.4 1.0 C4 B:GHP4 4.1 22.8 1.0 O B:HOH211 4.2 35.9 1.0 N A:DAL173 4.2 24.4 1.0 C1 B:GCS101 4.5 28.1 1.0 O A:HOH380 4.5 39.1 1.0 C1 B:GHP4 4.5 21.2 1.0 O B:GHP4 4.5 18.2 1.0 CD2 B:OMY6 4.5 24.4 1.0 O4 B:GHP4 4.6 23.7 1.0 C A:AIB172 4.6 25.8 1.0 C A:DPR171 4.7 31.4 1.0 CD A:DPR171 4.7 37.1 1.0 O A:AIB172 4.7 22.8 1.0 C B:GHP4 4.9 19.3 1.0 CB A:DPR171 4.9 36.2 1.0 O B:HOH215 4.9 46.2 1.0 C3 B:GHP4 5.0 23.8 1.0

S.Han, B.V.Le, H.S.Hajare, R.H.Baxter, S.J.Miller. X-Ray Crystal Structure of Teicoplanin A2-2 Bound to A Catalytic Peptide Sequence Via the Carrier Protein Strategy. J.Org.Chem. V. 79 8550 2014.
ISSN: ISSN 0022-3263
PubMed: 25147913
DOI: 10.1021/JO501625F