Chlorine in PDB 1sho: Crystal Structure of Vancomycin at Atomic Resolution

The structure of Crystal Structure of Vancomycin at Atomic Resolution, PDB code: 1sho was solved by G.M.Sheldrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.00 / 1.09
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	28.480, 28.480, 65.830, 90.00, 90.00, 90.00
R / Rfree (%)	10.5 / n/a

The binding sites of Chlorine atom in the Crystal Structure of Vancomycin at Atomic Resolution (pdb code 1sho). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Vancomycin at Atomic Resolution, PDB code: 1sho:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of Vancomycin at Atomic Resolution


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 Vancomycin at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:9.8 occ:1.00 CL A:OMZ2 0.0 9.8 1.0 CE1 A:OMZ2 1.7 5.6 1.0 CZ A:OMZ2 2.7 5.4 1.0 CD1 A:OMZ2 2.7 5.2 1.0 OH A:OMZ2 2.9 5.7 1.0 CD2 B:OMY6 3.4 5.2 1.0 C5 A:GHP4 3.4 4.7 1.0 O A:HOH2048 3.6 44.6 1.0 C6 A:GHP4 3.6 4.2 1.0 O A:HOH2054 3.7 23.7 1.0 CE2 B:OMY6 3.8 5.6 1.0 O B:HOH2027 3.8 15.9 1.0 CE2 A:OMZ2 3.9 5.0 1.0 CG A:OMZ2 4.0 4.6 1.0 ODE B:OMY6 4.1 5.0 1.0 O5 A:BGC8 4.2 6.8 1.0 O6 A:BGC8 4.3 13.8 1.0 C4 A:GHP4 4.4 4.6 1.0 CG B:OMY6 4.4 5.2 1.0 CD2 A:OMZ2 4.5 4.8 1.0 C6 A:BGC8 4.5 11.2 1.0 C1 A:GHP4 4.7 3.7 1.0 O A:ASN3 4.7 4.1 1.0 CB B:OMY6 4.9 5.2 1.0 O4 A:GHP4 4.9 5.1 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of Vancomycin at Atomic Resolution


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 Vancomycin at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl6 b:6.7 occ:1.00 CL A:OMY6 0.0 6.7 1.0 CE1 A:OMY6 1.7 4.6 1.0 CD1 A:OMY6 2.7 4.5 1.0 CZ A:OMY6 2.7 4.8 1.0 OCZ A:OMY6 3.0 5.1 1.0 C3 A:GHP4 3.2 4.2 1.0 C2 A:GHP4 3.5 4.0 1.0 C3A A:RER9 3.8 7.5 1.0 C5 A:RER9 3.8 9.9 1.0 C5A A:RER9 3.9 10.5 0.7 C4 A:GHP4 3.9 4.6 1.0 C4 A:RER9 4.0 10.3 1.0 CG A:OMY6 4.0 4.1 1.0 CE2 A:OMY6 4.0 4.5 1.0 C1 A:GHP4 4.3 3.7 1.0 O4 A:GHP4 4.4 5.1 1.0 C3 A:RER9 4.5 9.5 1.0 CD2 A:OMY6 4.5 4.3 1.0 O A:GHP4 4.6 3.8 1.0 C5 A:GHP4 4.7 4.7 1.0 C5A A:RER9 4.7 10.6 0.3 C6 A:GHP4 4.8 4.2 1.0 C A:GHP4 4.9 3.2 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of Vancomycin at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Vancomycin at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:7.2 occ:1.00 CL B:OMZ2 0.0 7.2 1.0 CE1 B:OMZ2 1.7 5.0 1.0 CZ B:OMZ2 2.7 5.1 1.0 CD1 B:OMZ2 2.7 5.0 1.0 OH B:OMZ2 3.0 5.4 1.0 C5 B:GHP4 3.4 5.4 1.0 C6 B:GHP4 3.5 4.7 1.0 C5 B:RER9 3.9 5.4 1.0 C4 B:RER9 3.9 4.9 1.0 CE2 B:OMZ2 4.0 5.7 1.0 CD2 A:OMY6 4.0 4.3 1.0 C5A B:RER9 4.0 6.9 1.0 CG B:OMZ2 4.0 5.4 1.0 C3A B:RER9 4.1 4.8 1.0 O B:HOH2001 4.1 18.0 1.0 CE2 A:OMY6 4.2 4.5 1.0 C4 B:GHP4 4.4 5.9 1.0 CD2 B:OMZ2 4.5 5.6 1.0 C1 B:GHP4 4.6 4.8 1.0 C3 B:RER9 4.6 4.8 1.0 O B:ASN3 4.8 6.3 1.0 ODE A:OMY6 4.9 5.4 1.0 O B:OMZ2 4.9 6.1 1.0 O4 B:GHP4 5.0 6.8 1.0 C B:ASN3 5.0 5.0 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of Vancomycin at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Vancomycin at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl6 b:10.9 occ:1.00 CL B:OMY6 0.0 10.9 1.0 CE1 B:OMY6 1.8 6.9 1.0 O B:HOH2043 2.4 49.8 1.0 CD1 B:OMY6 2.7 6.2 1.0 CZ B:OMY6 2.8 6.4 1.0 OCZ B:OMY6 3.1 7.3 1.0 C3 B:GHP4 3.2 6.3 1.0 C2 B:GHP4 3.4 5.8 1.0 O5 B:BGC8 3.5 9.4 1.0 C6 B:BGC8 3.6 12.1 1.0 O6 B:BGC8 3.8 14.2 0.3 C4 B:GHP4 3.8 5.9 1.0 C5 B:BGC8 3.9 10.9 1.0 CG B:OMY6 4.0 5.2 1.0 CE2 B:OMY6 4.0 5.6 1.0 O B:HOH2041 4.1 42.8 1.0 O B:GHP4 4.2 5.7 1.0 C1 B:GHP4 4.2 4.8 1.0 O B:HOH2022 4.3 23.7 1.0 O6 B:BGC8 4.3 13.4 0.7 C1 B:BGC8 4.3 7.8 1.0 CH3 B:ACT10 4.3 18.6 1.0 O B:HOH2042 4.3 28.1 1.0 O4 B:GHP4 4.4 6.8 1.0 CD2 B:OMY6 4.5 5.2 1.0 C5 B:GHP4 4.5 5.4 1.0 C B:GHP4 4.6 4.0 1.0 O B:HOH2005 4.6 44.9 1.0 C6 B:GHP4 4.6 4.7 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of Vancomycin at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Vancomycin at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl11 b:6.0 occ:1.00 OC B:OMZ2 3.0 8.0 1.0 CB B:OMZ2 3.9 5.8 1.0 CG B:OMZ2 4.2 5.4 1.0 CD2 B:OMZ2 4.2 5.6 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of Vancomycin at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Vancomycin at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl12 b:11.7 occ:1.00 O A:HOH2059 2.9 24.9 1.0 O4 B:RER9 3.1 6.4 1.0 C3A A:RER9 3.6 7.5 1.0 N3 A:RER9 3.7 11.6 1.0 C4 B:RER9 3.8 4.9 1.0 C5A B:RER9 3.9 6.9 1.0 C3 A:RER9 4.2 9.5 1.0 O A:HOH2034 4.3 23.1 1.0 C5 B:RER9 4.5 5.4 1.0 C2 A:RER9 4.6 10.0 1.0

M.Schafer, T.R.Schneider, G.M.Sheldrick. Crystal Structure of Vancomycin. Structure V. 4 1509 1996.
ISSN: ISSN 0969-2126
PubMed: 8994975
DOI: 10.1016/S0969-2126(96)00156-6