Chlorine in PDB 1go6: Balhimycin in Complex with Lys-D-Ala-D-Ala

The structure of Balhimycin in Complex with Lys-D-Ala-D-Ala, PDB code: 1go6 was solved by C.Lehmann, G.Bunkoczi, L.Vertesy, G.M.Sheldrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	89.00 / 0.98
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.927, 28.025, 50.707, 90.00, 90.00, 90.00
R / Rfree (%)	12.9 / 15.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Balhimycin in Complex with Lys-D-Ala-D-Ala (pdb code 1go6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Balhimycin in Complex with Lys-D-Ala-D-Ala, PDB code: 1go6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in the Balhimycin in Complex with Lys-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Balhimycin in Complex with Lys-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:14.1 occ:1.00 CL A:OMZ2 0.0 14.1 1.0 CE1 A:OMZ2 1.7 9.5 1.0 O A:HOH2023 2.4 40.8 1.0 CZ A:OMZ2 2.7 9.1 1.0 CD1 A:OMZ2 2.7 9.3 1.0 OH A:OMZ2 3.0 9.3 1.0 C3 A:GHP4 3.4 8.5 1.0 O A:HOH2020 3.4 19.6 0.5 CD2 I:OMY6 3.5 9.6 1.0 C2 A:GHP4 3.6 8.4 1.0 C2 I:DVC9 3.7 10.3 1.0 CE2 I:OMY6 3.8 9.6 1.0 O6 A:BGC8 3.8 16.7 1.0 C1 I:DVC9 3.8 10.5 1.0 C6 A:BGC8 3.9 13.6 1.0 O A:HOH2004 3.9 26.8 0.5 O5 A:BGC8 3.9 9.3 1.0 CE2 A:OMZ2 4.0 9.4 1.0 CG A:OMZ2 4.0 8.7 1.0 O A:HOH2007 4.0 18.1 0.5 C4 A:GHP4 4.4 8.3 1.0 CG I:OMY6 4.5 9.5 1.0 CD2 A:OMZ2 4.5 8.9 1.0 ODE I:OMY6 4.5 9.1 1.0 C5 A:BGC8 4.6 10.9 1.0 C1 A:GHP4 4.6 7.8 1.0 O4 A:GHP4 4.9 8.6 1.0 O5 I:DVC9 4.9 12.1 1.0 CZ I:OMY6 4.9 9.6 1.0 O I:HOH2024 5.0 20.9 1.0

Chlorine binding site 2 out of 16 in the Balhimycin in Complex with Lys-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Balhimycin in Complex with Lys-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl6 b:10.8 occ:1.00 CL A:OMY6 0.0 10.8 1.0 CE1 A:OMY6 1.7 8.2 1.0 CD1 A:OMY6 2.7 8.3 1.0 CZ A:OMY6 2.7 8.1 1.0 OCZ A:OMY6 3.0 8.4 1.0 C5 A:GHP4 3.1 8.1 1.0 O B:HOH2009 3.3 15.6 0.5 O B:HOH2008 3.5 21.1 1.0 C6 A:GHP4 3.5 8.0 1.0 O A:HOH2009 3.5 22.2 0.5 C4 A:GHP4 3.8 8.3 1.0 CE2 A:OMY6 4.0 8.2 1.0 CG A:OMY6 4.0 8.1 1.0 CB B:DAL3 4.0 9.3 1.0 O4 A:GHP4 4.2 8.6 1.0 C B:DAL2 4.2 8.4 1.0 N B:DAL3 4.2 8.2 1.0 C1 A:GHP4 4.3 7.8 1.0 C5 I:MRD21 4.3 13.6 0.4 O A:GHP4 4.4 7.8 1.0 CA B:DAL2 4.4 9.2 1.0 O A:HOH2012 4.4 25.9 1.0 O B:LYS1 4.4 9.2 1.0 CD2 A:OMY6 4.5 8.1 1.0 C3 A:GHP4 4.5 8.5 1.0 C B:LYS1 4.6 9.3 1.0 N B:DAL2 4.6 9.6 1.0 O B:DAL2 4.6 9.1 1.0 C3 I:MRD21 4.7 10.0 0.4 C2 A:GHP4 4.7 8.4 1.0 C A:GHP4 4.8 7.3 1.0 O A:HOH2021 4.8 25.7 1.0 CA B:DAL3 4.8 8.4 1.0

Chlorine binding site 3 out of 16 in the Balhimycin in Complex with Lys-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Balhimycin in Complex with Lys-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2 b:14.6 occ:1.00 CL C:OMZ2 0.0 14.6 1.0 CE1 C:OMZ2 1.7 9.5 1.0 O C:HOH2016 2.6 26.6 0.5 CZ C:OMZ2 2.7 8.8 1.0 CD1 C:OMZ2 2.7 9.4 1.0 OH C:OMZ2 3.0 9.7 1.0 C3 C:GHP4 3.4 8.6 1.0 CD2 K:OMY6 3.5 9.0 1.0 C2 C:GHP4 3.6 8.4 1.0 C2 K:DVC9 3.7 9.8 1.0 C1 K:DVC9 3.8 9.9 1.0 O6 C:BGC8 3.8 16.2 1.0 CE2 K:OMY6 3.8 9.6 1.0 C6 C:BGC8 3.8 14.3 1.0 O C:HOH2018 3.8 20.7 1.0 O5 C:BGC8 3.9 9.7 1.0 CE2 C:OMZ2 4.0 8.9 1.0 CG C:OMZ2 4.0 8.6 1.0 O C:HOH2008 4.1 34.4 1.0 C4 C:GHP4 4.4 8.2 1.0 CG K:OMY6 4.4 9.6 1.0 ODE K:OMY6 4.5 9.0 1.0 CD2 C:OMZ2 4.5 9.1 1.0 C5 C:BGC8 4.6 11.4 1.0 C1 C:GHP4 4.7 7.6 1.0 O K:HOH2026 4.7 27.3 0.5 O5 K:DVC9 4.9 11.5 1.0 CZ K:OMY6 4.9 9.6 1.0 O4 C:GHP4 4.9 8.8 1.0

Chlorine binding site 4 out of 16 in the Balhimycin in Complex with Lys-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Balhimycin in Complex with Lys-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl6 b:10.8 occ:1.00 CL C:OMY6 0.0 10.8 1.0 CE1 C:OMY6 1.7 7.9 1.0 CD1 C:OMY6 2.7 8.0 1.0 CZ C:OMY6 2.7 8.2 1.0 OCZ C:OMY6 3.0 8.6 1.0 C5 C:GHP4 3.1 8.3 1.0 O D:HOH2007 3.1 26.5 0.5 O D:HOH2006 3.3 18.4 0.5 O D:HOH2004 3.4 24.0 1.0 C6 C:GHP4 3.5 8.0 1.0 O B:HOH2004 3.6 31.2 0.7 C4 C:GHP4 3.7 8.2 1.0 CE2 C:OMY6 4.0 8.2 1.0 CG C:OMY6 4.0 8.4 1.0 CB D:DAL3 4.1 9.5 1.0 O4 C:GHP4 4.2 8.8 1.0 C D:DAL2 4.2 8.7 1.0 N D:DAL3 4.3 8.1 1.0 C1 C:GHP4 4.3 7.6 1.0 O C:GHP4 4.4 8.0 1.0 O D:LYS1 4.4 9.3 1.0 CA D:DAL2 4.4 9.3 1.0 CM K:MPD21 4.4 18.1 0.5 O C:HOH2009 4.5 20.6 0.5 CD2 C:OMY6 4.5 8.4 1.0 C3 C:GHP4 4.5 8.6 1.0 O C:HOH2015 4.5 21.2 1.0 O D:DAL2 4.6 9.5 1.0 C D:LYS1 4.6 8.7 1.0 N D:DAL2 4.6 9.8 1.0 C3 K:MPD21 4.7 12.6 0.5 C2 C:GHP4 4.7 8.4 1.0 C C:GHP4 4.8 7.7 1.0 CA D:DAL3 4.8 8.2 1.0

Chlorine binding site 5 out of 16 in the Balhimycin in Complex with Lys-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Balhimycin in Complex with Lys-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl2 b:11.9 occ:1.00 CL E:OMZ2 0.0 11.9 1.0 CE1 E:OMZ2 1.7 10.3 1.0 CZ E:OMZ2 2.7 10.2 1.0 CD1 E:OMZ2 2.7 10.6 1.0 OH E:OMZ2 3.0 10.3 1.0 C3 E:GHP4 3.5 9.1 1.0 C2 E:GHP4 3.5 8.6 1.0 O G:HOH2010 3.5 22.1 0.5 CD2 G:OMY6 3.5 8.6 1.0 O G:HOH2019 3.6 15.5 0.5 CE2 G:OMY6 3.6 8.6 1.0 C2 G:DVC9 3.9 11.8 0.5 CE2 E:OMZ2 4.0 10.7 1.0 CG E:OMZ2 4.0 10.6 1.0 O G:HOH2022 4.0 32.5 1.0 O G:HOH2025 4.1 42.1 1.0 C1 G:DVC9 4.1 11.4 0.5 C2 G:DVC9 4.3 11.2 0.5 C1 G:DVC9 4.4 10.9 0.5 CD2 E:OMZ2 4.5 10.6 1.0 C4 E:GHP4 4.5 8.8 1.0 CG G:OMY6 4.5 8.5 1.0 C1 E:GHP4 4.6 8.0 1.0 CZ G:OMY6 4.6 9.0 1.0 O E:ASN3 4.7 9.0 1.0 ODE G:OMY6 4.8 9.3 0.5 ODE G:OMY6 4.8 9.5 0.5 C E:ASN3 4.9 8.4 1.0

Chlorine binding site 6 out of 16 in the Balhimycin in Complex with Lys-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Balhimycin in Complex with Lys-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl6 b:13.0 occ:1.00 CL E:OMY6 0.0 13.0 1.0 CE1 E:OMY6 1.7 9.1 1.0 CD1 E:OMY6 2.7 9.0 1.0 CZ E:OMY6 2.7 8.6 1.0 OCZ E:OMY6 3.0 8.9 1.0 C5 E:GHP4 3.2 8.7 1.0 O F:HOH2001 3.4 20.1 0.5 O5 E:BGC8 3.4 11.7 1.0 C6 E:GHP4 3.5 8.3 1.0 CB F:DAL3 3.5 10.8 0.9 C5 E:BGC8 3.8 12.8 1.0 C F:DAL2 3.8 10.2 0.9 N F:DAL3 3.8 9.7 0.9 C4 E:GHP4 3.8 8.8 1.0 C6 E:BGC8 3.9 15.0 1.0 CE2 E:OMY6 4.0 8.3 1.0 CG E:OMY6 4.0 8.3 1.0 C1 E:BGC8 4.0 9.2 1.0 O F:HOH2007 4.0 31.0 0.5 CA F:DAL2 4.0 10.6 0.3 CA F:DAL2 4.1 10.4 0.6 O F:DAL2 4.1 14.0 0.9 N F:DAL2 4.2 10.6 0.6 O F:HOH2004 4.2 25.6 0.5 CA F:DAL3 4.3 10.1 0.9 C1 E:GHP4 4.3 8.0 1.0 O4 E:GHP4 4.3 9.0 1.0 N F:DAL2 4.4 11.2 0.3 CD2 E:OMY6 4.5 8.2 1.0 O E:GHP4 4.5 8.6 1.0 C F:LYS1 4.5 9.3 0.6 C3 E:GHP4 4.6 9.1 1.0 O F:LYS1 4.6 8.7 0.6 O F:LYS1 4.6 10.2 0.3 C F:LYS1 4.6 11.3 0.3 C2 E:GHP4 4.8 8.6 1.0 C E:GHP4 4.8 7.8 1.0

Chlorine binding site 7 out of 16 in the Balhimycin in Complex with Lys-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Balhimycin in Complex with Lys-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl2 b:11.4 occ:1.00 CL G:OMZ2 0.0 11.4 1.0 CE1 G:OMZ2 1.7 9.7 1.0 CD1 G:OMZ2 2.7 10.2 1.0 CZ G:OMZ2 2.7 9.9 1.0 OH G:OMZ2 3.0 10.2 1.0 C3 G:GHP4 3.4 8.9 1.0 C2 G:GHP4 3.4 8.6 1.0 CD2 E:OMY6 3.5 8.2 1.0 O6 O:BGC8 3.6 17.8 0.4 CE2 E:OMY6 3.6 8.3 1.0 C6 G:BGC8 4.0 15.9 1.0 CG G:OMZ2 4.0 10.6 1.0 CE2 G:OMZ2 4.0 10.5 1.0 O O:HOH2026 4.1 22.6 0.5 O5 G:BGC8 4.1 10.7 1.0 O6 G:BGC8 4.2 18.5 1.0 O G:HOH2021 4.3 17.7 0.5 C2 E:DVC9 4.4 11.6 1.0 C4 G:GHP4 4.4 8.6 1.0 CL O:OMZ2 4.4 11.5 1.0 CD2 G:OMZ2 4.5 10.9 1.0 C1 E:DVC9 4.5 11.5 1.0 C1 G:GHP4 4.5 8.1 1.0 O G:ASN3 4.6 9.1 1.0 CG E:OMY6 4.6 8.3 1.0 C5 G:BGC8 4.7 12.6 1.0 CZ E:OMY6 4.7 8.6 1.0 C6 O:BGC8 4.7 12.7 0.6 C G:ASN3 4.8 8.3 1.0 O G:HOH2020 4.8 17.3 0.5 C6 O:BGC8 4.8 13.6 0.4 O G:OMZ2 4.9 10.2 1.0 ODE E:OMY6 4.9 9.1 1.0

Chlorine binding site 8 out of 16 in the Balhimycin in Complex with Lys-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Balhimycin in Complex with Lys-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl6 b:14.5 occ:1.00 CL G:OMY6 0.0 14.5 1.0 CE1 G:OMY6 1.7 9.7 1.0 CD1 G:OMY6 2.7 9.4 1.0 CZ G:OMY6 2.7 9.0 1.0 OCZ G:OMY6 3.0 9.5 1.0 C5 G:GHP4 3.2 8.8 1.0 O H:HOH2001 3.4 24.8 1.0 C6 G:GHP4 3.6 8.4 1.0 CB H:DAL3 3.6 12.7 0.9 O H:HOH2004 3.7 31.8 0.5 C4 G:GHP4 3.8 8.6 1.0 CE2 G:OMY6 4.0 8.6 1.0 CG G:OMY6 4.0 8.5 1.0 C H:DAL2 4.0 11.3 0.9 N H:DAL3 4.0 10.4 0.9 O4 G:GHP4 4.2 9.6 1.0 O H:DAL2 4.3 15.2 0.9 CA H:DAL2 4.4 11.1 0.9 C1 G:GHP4 4.4 8.1 1.0 CA H:DAL3 4.4 10.8 0.9 CD2 G:OMY6 4.5 8.6 1.0 N H:DAL2 4.5 12.8 0.9 O G:HOH2010 4.6 22.1 0.5 C3 G:GHP4 4.6 8.9 1.0 O G:GHP4 4.7 8.8 1.0 O H:LYS1 4.7 9.9 0.9 C H:LYS1 4.7 11.0 0.9 C2 G:GHP4 4.8 8.6 1.0 C G:GHP4 5.0 7.8 1.0

Chlorine binding site 9 out of 16 in the Balhimycin in Complex with Lys-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Balhimycin in Complex with Lys-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl2 b:11.2 occ:1.00 CL I:OMZ2 0.0 11.2 1.0 CE1 I:OMZ2 1.7 10.4 1.0 CZ I:OMZ2 2.7 10.7 1.0 CD1 I:OMZ2 2.7 11.3 1.0 OH I:OMZ2 3.0 10.8 1.0 O2 I:MRD21 3.2 9.2 0.4 C3 I:GHP4 3.4 9.8 1.0 C2 I:GHP4 3.5 9.4 1.0 C2 A:DVC9 3.6 9.5 1.0 CD2 A:OMY6 3.6 8.1 1.0 C1 A:DVC9 3.8 8.8 1.0 O4 I:MRD21 3.8 16.1 0.4 CE2 A:OMY6 3.9 8.2 1.0 CE2 I:OMZ2 4.0 12.2 1.0 CG I:OMZ2 4.0 12.8 1.0 CD2 I:OMZ2 4.5 13.3 1.0 C4 I:GHP4 4.5 10.1 1.0 C2 I:MRD21 4.5 8.6 0.4 C1 I:GHP4 4.6 8.8 1.0 CG A:OMY6 4.6 8.1 1.0 ODE A:OMY6 4.6 8.5 1.0 O I:HOH2027 4.8 10.8 1.0 O5 A:DVC9 4.8 9.9 1.0 C3 I:MRD21 4.8 10.0 0.4 O I:ASN3 4.8 10.9 1.0 C4 I:MRD21 4.9 11.4 0.4 C I:ASN3 5.0 9.8 1.0

Chlorine binding site 10 out of 16 in the Balhimycin in Complex with Lys-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Balhimycin in Complex with Lys-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl6 b:13.1 occ:1.00 CL I:OMY6 0.0 13.1 1.0 CE1 I:OMY6 1.7 10.0 1.0 CD1 I:OMY6 2.7 9.7 1.0 CZ I:OMY6 2.7 9.6 1.0 OCZ I:OMY6 3.0 10.2 1.0 C5 I:GHP4 3.1 9.6 1.0 C4 I:CIT20 3.1 25.7 0.7 O5 I:BGC8 3.4 14.8 1.0 C6 I:GHP4 3.5 9.3 1.0 O4 I:CIT20 3.5 33.8 0.7 C6 I:BGC8 3.7 16.6 1.0 C4 I:GHP4 3.8 10.1 1.0 C5 I:CIT20 3.8 26.7 0.7 C5 I:BGC8 3.9 14.7 1.0 CG I:OMY6 4.0 9.5 1.0 CE2 I:OMY6 4.0 9.6 1.0 C1 I:BGC8 4.2 11.8 1.0 C3 I:CIT20 4.2 23.7 0.7 C2 I:CIT20 4.2 19.6 0.7 C1 I:GHP4 4.3 8.8 1.0 O4 I:GHP4 4.3 10.7 1.0 O I:GHP4 4.4 9.8 1.0 CD2 I:OMY6 4.5 9.6 1.0 O6 I:BGC8 4.5 20.9 1.0 C3 I:GHP4 4.5 9.8 1.0 C2 I:GHP4 4.7 9.4 1.0 C I:GHP4 4.8 8.7 1.0 O7 I:CIT20 4.9 25.2 0.7

C.Lehmann, G.Bunkoczi, L.Vertesy, G.M.Sheldrick. Structures of Glycopeptide Antibiotics with Peptides That Model Bacterial Cell-Wall Precursors J.Mol.Biol. V. 318 723 2002.
ISSN: ISSN 0022-2836
PubMed: 12054818
DOI: 10.1016/S0022-2836(02)00146-8