Chlorine in PDB 1hh3: Decaplanin First P21-Form

The structure of Decaplanin First P21-Form, PDB code: 1hh3 was solved by C.Lehmann, L.Vertessy, G.M.Sheldrick, Z.Dauter, M.Dauter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.50 / 1.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	25.604, 38.598, 31.713, 90.00, 105.88, 90.00
R / Rfree (%)	11.5 / 14.8

The binding sites of Chlorine atom in the Decaplanin First P21-Form (pdb code 1hh3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Decaplanin First P21-Form, PDB code: 1hh3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Decaplanin First P21-Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Decaplanin First P21-Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:10.3 occ:1.00 CL A:OMZ2 0.0 10.3 1.0 CE1 A:OMZ2 1.7 7.0 1.0 CZ A:OMZ2 2.7 6.8 1.0 CD1 A:OMZ2 2.7 8.3 1.0 OH A:OMZ2 2.9 7.1 1.0 C5 A:GHP4 3.5 5.7 1.0 C6 A:GHP4 3.7 5.4 1.0 CD1 B:OMX6 3.7 5.3 1.0 O A:HOH2014 3.7 14.2 1.0 C2 B:ERE8 3.8 5.9 1.0 CE2 A:OMZ2 3.9 8.2 1.0 C1 B:ERE8 4.0 5.7 1.0 CE1 B:OMX6 4.0 5.5 1.0 CG A:OMZ2 4.0 9.8 1.0 O6 A:BGC9 4.1 10.9 1.0 O5 A:BGC9 4.2 7.0 1.0 C6 A:BGC9 4.4 9.5 1.0 CD2 A:OMZ2 4.5 10.2 1.0 C4 A:GHP4 4.5 5.4 1.0 OC B:OMX6 4.7 5.1 1.0 CG B:OMX6 4.7 5.1 1.0 O A:ASN3 4.7 5.4 1.0 C1 A:GHP4 4.8 5.0 1.0 O4 A:GHP4 5.0 6.2 1.0 C5 A:BGC9 5.0 7.6 1.0

Chlorine binding site 2 out of 4 in the Decaplanin First P21-Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Decaplanin First P21-Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:10.3 occ:1.00 CL B:OMZ2 0.0 10.3 1.0 CE1 B:OMZ2 1.7 7.1 1.0 CZ B:OMZ2 2.7 6.6 1.0 CD1 B:OMZ2 2.7 7.2 1.0 OH B:OMZ2 3.0 7.2 1.0 O4 B:RAM10 3.2 15.0 1.0 C5 B:GHP4 3.3 5.9 1.0 C6 B:GHP4 3.4 5.8 1.0 C2 A:ERE8 3.7 8.1 1.0 O A:HOH2020 3.7 34.4 0.5 CD1 A:OMX6 3.7 6.0 1.0 C1 A:ERE8 3.8 7.2 1.0 CE2 B:OMZ2 4.0 7.4 1.0 CG B:OMZ2 4.0 7.2 1.0 CE1 A:OMX6 4.0 6.0 1.0 O B:HOH2041 4.0 32.9 0.5 C5 B:RAM10 4.1 10.6 1.0 C6 B:RAM10 4.2 12.6 1.0 O B:HOH2040 4.2 25.9 1.0 C4 B:RAM10 4.2 12.1 1.0 C4 B:GHP4 4.3 5.9 1.0 C1 B:GHP4 4.4 5.1 1.0 CD2 B:OMZ2 4.5 8.0 1.0 OC A:OMX6 4.6 6.1 1.0 CG A:OMX6 4.7 5.6 1.0 O5 A:ERE8 4.8 7.9 1.0 O B:OMZ2 4.9 9.6 1.0 N B:GHP4 4.9 5.8 1.0 O4 B:GHP4 4.9 6.6 1.0 C B:ASN3 5.0 6.6 1.0 O B:ASN3 5.0 7.9 1.0 C3 B:RAM10 5.0 13.2 1.0

Chlorine binding site 3 out of 4 in the Decaplanin First P21-Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Decaplanin First P21-Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2 b:12.5 occ:1.00 CL C:OMZ2 0.0 12.5 1.0 CE1 C:OMZ2 1.7 6.9 1.0 CZ C:OMZ2 2.6 6.8 1.0 CD1 C:OMZ2 2.7 6.5 1.0 OH C:OMZ2 2.9 7.7 1.0 O C:HOH2038 3.4 33.2 1.0 C5 C:GHP4 3.4 6.5 1.0 C2 D:ERE8 3.6 7.1 1.0 C6 C:GHP4 3.7 5.8 1.0 CD1 D:OMX6 3.7 5.9 1.0 O C:HOH2015 3.7 16.2 1.0 O6 C:BGC9 3.8 13.0 1.0 O C:HOH2006 3.8 38.0 1.0 C1 D:ERE8 3.9 7.2 1.0 CE1 D:OMX6 3.9 6.3 1.0 CE2 C:OMZ2 4.0 7.3 1.0 CG C:OMZ2 4.0 6.1 1.0 O5 C:BGC9 4.0 7.5 1.0 C6 C:BGC9 4.2 10.2 1.0 C4 C:GHP4 4.4 6.0 1.0 CD2 C:OMZ2 4.5 7.2 1.0 CG D:OMX6 4.6 5.7 1.0 OC D:OMX6 4.6 5.8 1.0 O D:HOH2021 4.7 14.6 1.0 C1 C:GHP4 4.8 5.3 1.0 C5 C:BGC9 4.8 8.6 1.0 O4 C:GHP4 4.8 7.0 1.0 O5 D:ERE8 4.8 7.9 1.0 O C:ASN3 4.9 6.6 1.0 CZ D:OMX6 5.0 6.6 1.0

Chlorine binding site 4 out of 4 in the Decaplanin First P21-Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Decaplanin First P21-Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2 b:16.3 occ:1.00 CL D:OMZ2 0.0 16.3 1.0 CE1 D:OMZ2 1.7 10.7 1.0 O C:HOH2032 2.4 37.8 0.5 CZ D:OMZ2 2.7 10.8 1.0 CD1 D:OMZ2 2.7 12.2 1.0 OH D:OMZ2 3.0 10.2 1.0 O4 D:RAM10 3.2 15.0 1.0 C5 D:GHP4 3.3 8.3 1.0 C6 D:GHP4 3.4 7.7 1.0 CD1 C:OMX6 3.7 7.4 1.0 C2 C:ERE8 3.7 11.4 1.0 C1 C:ERE8 3.9 9.8 1.0 O D:HOH2030 3.9 26.9 1.0 CE1 C:OMX6 3.9 7.0 1.0 O D:HOH2031 3.9 39.0 1.0 CE2 D:OMZ2 3.9 13.4 1.0 CG D:OMZ2 4.0 13.7 1.0 O C:HOH2021 4.1 28.7 0.5 C5 D:RAM10 4.2 11.0 1.0 C4 D:RAM10 4.3 11.3 1.0 C6 D:RAM10 4.3 16.1 1.0 C4 D:GHP4 4.4 7.6 1.0 C1 D:GHP4 4.5 6.8 1.0 CD2 D:OMZ2 4.5 14.9 1.0 OC C:OMX6 4.6 8.4 1.0 CG C:OMX6 4.6 6.9 1.0 O5 C:ERE8 4.8 11.1 1.0 O C:HOH2039 4.8 31.7 1.0 O4 D:GHP4 4.9 8.5 1.0 O D:OMZ2 4.9 13.7 1.0 C3 D:RAM10 4.9 12.2 1.0

C.Lehmann, J.E.Debreczeni, G.Bunkoczi, M.Dauter, Z.Dauter, L.Vertesy, G.M.Sheldrick. Structures of Four Crystal Forms of Decaplanin Helv.Chim.Acta V. 86 1478 2003.
ISSN: ISSN 0018-019X
DOI: 10.1002/HLCA.200390131