Chlorine in PDB 1hha: Decaplanin First P6122-Form

The structure of Decaplanin First P6122-Form, PDB code: 1hha 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)	23.23 / 1.90
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	64.364, 64.364, 84.128, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 26.5

The binding sites of Chlorine atom in the Decaplanin First P6122-Form (pdb code 1hha). 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 P6122-Form, PDB code: 1hha:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Decaplanin First P6122-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 P6122-Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:50.6 occ:1.00 CL A:OMZ2 0.0 50.6 1.0 CE1 A:OMZ2 1.8 33.6 1.0 CZ A:OMZ2 2.7 33.5 1.0 CD1 A:OMZ2 2.7 37.2 1.0 OH A:OMZ2 3.0 32.6 1.0 C5 A:GHP4 3.4 34.2 1.0 O4 A:RAM10 3.6 45.1 1.0 C6 A:GHP4 3.6 34.0 1.0 CD1 B:OMX6 3.9 32.0 1.0 CE1 B:OMX6 4.0 30.7 1.0 CE2 A:OMZ2 4.0 32.4 1.0 C6 A:RAM10 4.0 45.2 1.0 CG A:OMZ2 4.0 37.5 1.0 C5 A:RAM10 4.2 46.1 1.0 O B:HOH2007 4.4 59.5 1.0 C4 A:GHP4 4.4 35.9 1.0 CD2 A:OMZ2 4.5 35.6 1.0 C4 A:RAM10 4.5 48.3 1.0 C2 B:ERE8 4.5 33.7 1.0 C1 B:ERE8 4.6 34.5 1.0 C1 A:GHP4 4.6 31.3 1.0 CG B:OMX6 4.8 33.7 1.0

Chlorine binding site 2 out of 4 in the Decaplanin First P6122-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 P6122-Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:47.2 occ:1.00 CL B:OMZ2 0.0 47.2 1.0 CE1 B:OMZ2 1.8 30.8 1.0 CZ B:OMZ2 2.7 30.3 1.0 CD1 B:OMZ2 2.7 31.9 1.0 OH B:OMZ2 3.0 31.5 1.0 C5 B:GHP4 3.6 30.4 1.0 C6 B:GHP4 3.8 26.1 1.0 CD1 A:OMX6 3.9 34.9 1.0 CE2 B:OMZ2 4.0 31.0 1.0 CG B:OMZ2 4.1 34.0 1.0 O B:HOH2019 4.1 35.9 1.0 CE1 A:OMX6 4.1 32.3 1.0 O6 B:BGC9 4.2 38.9 1.0 O5 B:BGC9 4.4 30.5 1.0 C2 A:ERE8 4.5 29.6 1.0 CD2 B:OMZ2 4.5 32.0 1.0 C1 A:ERE8 4.5 33.1 1.0 C4 B:GHP4 4.5 31.0 1.0 C6 B:BGC9 4.6 35.2 1.0 C1 B:GHP4 4.8 27.7 1.0 CG A:OMX6 4.8 33.0 1.0 O B:ASN3 5.0 34.4 1.0

Chlorine binding site 3 out of 4 in the Decaplanin First P6122-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 P6122-Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2 b:37.1 occ:1.00 CL C:OMZ2 0.0 37.1 1.0 CE1 C:OMZ2 1.8 29.6 1.0 CZ C:OMZ2 2.7 28.6 1.0 CD1 C:OMZ2 2.8 31.5 1.0 OH C:OMZ2 3.0 32.4 1.0 C5 C:GHP4 3.6 31.8 1.0 O C:HOH2016 3.7 29.6 1.0 CD1 D:OMX6 3.8 30.8 1.0 C6 C:GHP4 3.8 27.8 1.0 CE2 C:OMZ2 4.0 26.4 1.0 CG C:OMZ2 4.1 29.8 1.0 CE1 D:OMX6 4.1 30.8 1.0 C1 D:ERE8 4.2 30.1 1.0 C2 D:ERE8 4.2 31.9 1.0 O6 C:BGC9 4.3 36.8 1.0 O5 C:BGC9 4.4 30.9 1.0 CD2 C:OMZ2 4.5 28.4 1.0 C4 C:GHP4 4.6 30.8 1.0 C6 C:BGC9 4.7 36.4 1.0 CG D:OMX6 4.7 31.4 1.0 OC D:OMX6 4.8 30.9 1.0 C1 C:GHP4 4.9 30.3 1.0

Chlorine binding site 4 out of 4 in the Decaplanin First P6122-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 P6122-Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2 b:49.6 occ:1.00 CL D:OMZ2 0.0 49.6 1.0 CE1 D:OMZ2 1.8 35.2 1.0 CZ D:OMZ2 2.7 34.5 1.0 CD1 D:OMZ2 2.7 36.9 1.0 OH D:OMZ2 3.1 36.7 1.0 C5 D:GHP4 3.7 34.5 1.0 O4 D:RAM10 3.7 44.9 1.0 C6 D:GHP4 3.8 33.2 1.0 CE2 D:OMZ2 4.0 35.0 1.0 CG D:OMZ2 4.1 34.3 1.0 C2 C:ERE8 4.2 34.4 1.0 CD1 C:OMX6 4.3 32.5 1.0 C1 C:ERE8 4.4 34.7 1.0 C6 D:RAM10 4.4 31.2 1.0 C5 D:RAM10 4.5 35.5 1.0 CD2 D:OMZ2 4.5 33.6 1.0 CE1 C:OMX6 4.6 31.8 1.0 C4 D:GHP4 4.7 36.5 1.0 C4 D:RAM10 4.7 39.7 1.0 O C:HOH2004 4.8 23.7 0.5 C1 D:GHP4 4.8 31.8 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