Chlorine in PDB 4mfq: The Crystal Structure of Acyltransferase in Complex with Coa and 10C- Teicoplanin

The structure of The Crystal Structure of Acyltransferase in Complex with Coa and 10C- Teicoplanin, PDB code: 4mfq was solved by S.Y.Lyu, Y.C.Liu, C.Y.Chang, C.J.Huang, T.L.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	133.471, 133.471, 49.196, 90.00, 90.00, 120.00
R / Rfree (%)	17.3 / 21.7

The binding sites of Chlorine atom in the The Crystal Structure of Acyltransferase in Complex with Coa and 10C- Teicoplanin (pdb code 4mfq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of Acyltransferase in Complex with Coa and 10C- Teicoplanin, PDB code: 4mfq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of Acyltransferase in Complex with Coa and 10C- Teicoplanin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Acyltransferase in Complex with Coa and 10C- Teicoplanin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl398 b:53.5 occ:1.00 CL B:3MY398 0.0 53.5 1.0 CE2 B:3MY398 1.8 44.8 1.0 CD2 B:3MY398 2.7 44.2 1.0 CZ B:3MY398 2.8 43.7 1.0 O6 B:GCS503 2.9 49.5 1.0 OBD B:3MY398 3.2 40.5 1.0 CZ2 A:TRP163 3.7 30.2 1.0 C3 B:GHP400 3.8 36.6 1.0 C6 B:GCS503 3.8 45.8 1.0 C2 B:GHP400 3.8 37.2 1.0 CG B:3MY398 4.0 45.1 1.0 SD A:MET161 4.1 43.7 1.0 CE1 B:3MY398 4.1 44.1 1.0 CG A:GLU280 4.2 30.0 1.0 O5 B:GCS503 4.2 41.2 1.0 OE2 A:GLU280 4.3 32.8 1.0 CZ A:PHE281 4.3 30.3 1.0 CH2 A:TRP163 4.4 29.9 1.0 CD A:GLU280 4.4 32.0 1.0 CD1 B:3MY398 4.5 42.6 1.0 O B:HOH612 4.5 43.4 1.0 O A:HOH589 4.5 30.7 1.0 C5 B:GCS503 4.7 44.1 1.0 CE2 A:TRP163 4.8 30.4 1.0 CG A:MET161 4.8 35.0 1.0 O A:HOH507 4.9 31.2 1.0 CE2 A:PHE281 4.9 29.2 1.0 C4 B:GHP400 4.9 33.8 1.0 CE1 A:PHE281 4.9 29.1 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of Acyltransferase in Complex with Coa and 10C- Teicoplanin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Acyltransferase in Complex with Coa and 10C- Teicoplanin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:53.7 occ:1.00 CL B:OMY402 0.0 53.7 1.0 CE1 B:OMY402 1.8 38.2 1.0 CD1 B:OMY402 2.7 36.6 1.0 CZ B:OMY402 2.8 33.5 1.0 OCZ B:OMY402 3.0 34.5 1.0 C5 B:GHP400 3.4 33.4 1.0 C6 B:GHP400 3.7 33.6 1.0 O B:HOH615 3.7 47.9 1.0 CB B:DAL505 3.8 50.3 1.0 N B:DAL505 4.0 50.7 1.0 CG B:OMY402 4.0 34.5 1.0 CE2 B:OMY402 4.0 34.1 1.0 C4 B:GHP400 4.2 33.8 1.0 O B:HOH609 4.2 49.7 1.0 O B:HOH601 4.5 37.1 1.0 CD2 B:OMY402 4.5 34.0 1.0 CA B:DAL505 4.5 50.9 1.0 C1 B:GHP400 4.6 35.6 1.0 O4 B:GHP400 4.6 37.6 1.0 CB A:SER235 4.7 30.7 1.0 O A:SER235 4.8 30.8 1.0 O B:GHP400 4.8 36.2 1.0 C3 B:GHP400 5.0 36.6 1.0 SD A:MET315 5.0 62.6 1.0

S.Y.Lyu, Y.C.Liu, C.Y.Chang, C.J.Huang, Y.H.Chiu, C.M.Huang, N.S.Hsu, K.H.Lin, C.J.Wu, M.D.Tsai, T.L.Li. Multiple Complexes of Long Aliphatic N-Acyltransferases Lead to Synthesis of 2,6-Diacylated/2-Acyl-Substituted Glycopeptide Antibiotics, Effectively Killing Vancomycin-Resistant Enterococcus J.Am.Chem.Soc. V. 136 10989 2014.
ISSN: ISSN 0002-7863
PubMed: 25095906
DOI: 10.1021/JA504125V