Chlorine in PDB 1hhc: Crystal Structure of Decaplanin - Space Group P21, Second Form

The structure of Crystal Structure of Decaplanin - Space Group P21, Second Form, PDB code: 1hhc 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)	18.08 / 1.13
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	28.945, 31.908, 34.735, 90.00, 109.87, 90.00
R / Rfree (%)	22.2 / 26.4

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

Chlorine binding site 1 out of 4 in the Crystal Structure of Decaplanin - Space Group P21, Second Form


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 Decaplanin - Space Group P21, Second Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:7.0 occ:1.00 CL A:OMZ2 0.0 7.0 1.0 CE1 A:OMZ2 1.7 4.7 1.0 CZ A:OMZ2 2.7 4.9 1.0 CD1 A:OMZ2 2.7 4.3 1.0 OH A:OMZ2 2.9 5.3 1.0 C5 A:GHP4 3.4 4.8 1.0 O A:HOH2013 3.5 19.2 1.0 CD1 B:OMX6 3.6 3.7 1.0 C6 A:GHP4 3.6 4.8 1.0 CE1 B:OMX6 3.7 4.0 1.0 O A:HOH2032 3.8 11.7 1.0 O B:HOH2017 3.8 24.2 1.0 C1 B:ERE8 3.8 3.6 1.0 O6 A:BGC9 3.8 6.1 1.0 C2 B:ERE8 3.9 3.9 1.0 CE2 A:OMZ2 4.0 5.1 1.0 O5 A:BGC9 4.0 4.9 1.0 C6 A:BGC9 4.0 5.5 1.0 CG A:OMZ2 4.0 4.9 1.0 O B:HOH2031 4.1 9.2 1.0 O A:HOH2030 4.2 7.7 1.0 CG B:OMX6 4.4 3.2 1.0 C4 A:GHP4 4.4 4.4 1.0 CD2 A:OMZ2 4.5 5.1 1.0 O5 B:ERE8 4.6 3.9 1.0 CZ B:OMX6 4.6 4.1 1.0 C1 A:GHP4 4.6 4.6 1.0 OC B:OMX6 4.6 3.0 1.0 C5 A:BGC9 4.8 5.3 1.0 O4 A:GHP4 4.9 4.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Decaplanin - Space Group P21, Second Form


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 Decaplanin - Space Group P21, Second Form 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 6.5 1.0 CZ B:OMZ2 2.7 6.3 1.0 CD1 B:OMZ2 2.7 6.3 1.0 OH B:OMZ2 2.9 5.5 1.0 C5 B:GHP4 3.3 4.8 1.0 O4 B:RAM10 3.3 9.8 1.0 C6 B:GHP4 3.4 4.3 1.0 CD1 A:OMX6 3.5 5.5 1.0 CE1 A:OMX6 3.6 5.2 1.0 O A:HOH2034 3.9 24.3 1.0 CE2 B:OMZ2 3.9 6.5 1.0 C6 B:RAM10 4.0 7.8 1.0 O B:HOH2039 4.0 16.6 1.0 CG B:OMZ2 4.0 6.6 1.0 C1 A:ERE8 4.0 6.6 1.0 C5 B:RAM10 4.1 7.0 1.0 C2 A:ERE8 4.2 6.8 1.0 C4 B:GHP4 4.2 4.7 1.0 C4 B:RAM10 4.3 8.1 1.0 C1 B:GHP4 4.3 4.2 1.0 CG A:OMX6 4.4 5.1 1.0 O B:HOH2040 4.4 19.8 1.0 CD2 B:OMZ2 4.5 6.7 1.0 O A:HOH2011 4.5 22.7 1.0 OC A:OMX6 4.6 6.2 1.0 CZ A:OMX6 4.7 5.2 1.0 O4 B:GHP4 4.8 5.3 1.0 O B:ASN3 4.8 5.8 1.0 O B:OMZ2 5.0 8.0 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Decaplanin - Space Group P21, Second Form


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 Decaplanin - Space Group P21, Second Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2 b:5.5 occ:1.00 CL C:OMZ2 0.0 5.5 1.0 CE1 C:OMZ2 1.7 3.8 1.0 CZ C:OMZ2 2.7 4.1 1.0 CD1 C:OMZ2 2.7 4.2 1.0 OH C:OMZ2 3.0 4.2 1.0 C5 C:GHP4 3.5 3.7 1.0 CD1 D:OMX6 3.6 3.4 1.0 O C:HOH2003 3.6 22.1 1.0 O C:HOH2035 3.6 10.3 1.0 C6 C:GHP4 3.7 3.3 1.0 C1 D:ERE8 3.7 3.8 1.0 O6 C:BGC9 3.8 4.8 1.0 CE1 D:OMX6 3.8 3.7 1.0 C2 D:ERE8 3.9 4.2 1.0 O D:HOH2011 3.9 18.2 1.0 CG C:OMZ2 4.0 4.4 1.0 CE2 C:OMZ2 4.0 4.1 1.0 O C:HOH2034 4.1 6.8 1.0 O5 C:BGC9 4.1 3.9 1.0 C6 C:BGC9 4.2 4.5 1.0 O D:HOH2026 4.2 8.8 1.0 CG D:OMX6 4.3 3.1 1.0 C4 C:GHP4 4.4 3.5 1.0 CD2 C:OMZ2 4.5 4.4 1.0 O5 D:ERE8 4.6 4.3 1.0 OC D:OMX6 4.6 3.4 1.0 C1 C:GHP4 4.7 2.8 1.0 CZ D:OMX6 4.8 4.0 1.0 C5 C:BGC9 4.9 3.9 1.0 O4 C:GHP4 5.0 3.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Decaplanin - Space Group P21, Second Form


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 Decaplanin - Space Group P21, Second Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2 b:6.7 occ:1.00 CL D:OMZ2 0.0 6.7 1.0 CE1 D:OMZ2 1.7 5.0 1.0 CD1 D:OMZ2 2.7 5.0 1.0 CZ D:OMZ2 2.7 5.0 1.0 OH D:OMZ2 3.0 4.8 1.0 C5 D:GHP4 3.3 4.4 1.0 O D:HOH2036 3.4 16.0 1.0 O4 D:RAM10 3.4 8.9 1.0 C6 D:GHP4 3.5 3.9 1.0 CD1 C:OMX6 3.6 3.5 1.0 C2 C:ERE8 3.8 4.7 1.0 C1 C:ERE8 3.9 4.3 1.0 CE1 C:OMX6 3.9 3.7 1.0 C5 D:RAM10 4.0 7.5 1.0 CG D:OMZ2 4.0 5.2 1.0 CE2 D:OMZ2 4.0 5.2 1.0 C6 D:RAM10 4.0 7.8 1.0 O C:HOH2021 4.1 21.0 1.0 C4 D:RAM10 4.3 8.3 1.0 C4 D:GHP4 4.4 4.0 1.0 O D:HOH2035 4.4 22.3 1.0 CD2 D:OMZ2 4.5 5.3 1.0 C1 D:GHP4 4.5 3.6 1.0 CG C:OMX6 4.5 3.3 1.0 OC C:OMX6 4.6 3.7 1.0 O D:HOH2002 4.7 15.4 1.0 O D:ASN3 4.7 4.2 1.0 O4 D:GHP4 4.9 4.5 1.0 O5 C:ERE8 4.9 5.0 1.0 C D:ASN3 4.9 4.4 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