Chlorine in PDB 1ov8: Auracyanin B Structure in Space Group, P65

The structure of Auracyanin B Structure in Space Group, P65, PDB code: 1ov8 was solved by M.Lee, M.J.Maher, H.C.Freeman, J.M.Guss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.13 / 1.90
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	115.885, 115.885, 108.149, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 21.9

The structure of Auracyanin B Structure in Space Group, P65 also contains other interesting chemical elements:

Copper

(Cu)

4 atoms

The binding sites of Chlorine atom in the Auracyanin B Structure in Space Group, P65 (pdb code 1ov8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Auracyanin B Structure in Space Group, P65, PDB code: 1ov8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Auracyanin B Structure in Space Group, P65


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Auracyanin B Structure in Space Group, P65 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl154 b:41.1 occ:1.00 NE2 B:HIS127 2.9 4.8 1.0 NE2 A:HIS127 2.9 4.7 1.0 O B:HOH294 2.9 30.1 1.0 O A:HOH170 3.0 28.2 1.0 CD2 B:HIS127 3.6 6.9 1.0 CG2 A:VAL55 3.6 8.8 1.0 CG2 B:VAL55 3.6 11.4 1.0 CD2 A:HIS127 3.7 5.5 1.0 CE1 A:HIS127 3.9 9.1 1.0 CE1 B:HIS127 3.9 7.1 1.0 CE2 A:PHE124 4.1 10.3 1.0 CE2 B:PHE124 4.2 6.4 1.0 CD2 A:PHE124 4.4 9.1 1.0 CD2 B:PHE124 4.4 7.6 1.0 CD1 B:LEU28 4.5 12.2 1.0 O A:PRO125 4.5 11.7 1.0 O B:PRO125 4.5 8.9 1.0 CD2 B:LEU28 4.6 9.7 1.0 CD2 A:LEU28 4.7 7.8 1.0 CD1 A:LEU28 4.7 11.2 1.0 CG B:HIS127 4.9 8.5 1.0 CG A:HIS127 5.0 6.9 1.0 ND1 B:HIS127 5.0 2.5 1.0 ND1 A:HIS127 5.0 4.2 1.0

Chlorine binding site 2 out of 2 in the Auracyanin B Structure in Space Group, P65


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Auracyanin B Structure in Space Group, P65 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl155 b:38.5 occ:1.00 NE2 C:HIS127 2.8 5.9 1.0 NE2 D:HIS127 2.9 4.9 1.0 O D:HOH577 3.0 30.0 1.0 O C:HOH449 3.0 28.4 1.0 CG2 D:VAL55 3.6 12.3 1.0 CD2 C:HIS127 3.7 5.0 1.0 CD2 D:HIS127 3.7 9.4 1.0 CG2 C:VAL55 3.7 8.1 1.0 CE1 D:HIS127 3.9 9.1 1.0 CE1 C:HIS127 3.9 9.3 1.0 CE2 C:PHE124 4.2 9.3 1.0 CE2 D:PHE124 4.3 6.9 1.0 CD2 C:PHE124 4.4 10.1 1.0 CD2 D:PHE124 4.5 9.2 1.0 CD1 D:LEU28 4.5 10.1 1.0 CD1 C:LEU28 4.6 9.2 1.0 O C:PRO125 4.6 10.8 1.0 CD2 C:LEU28 4.6 8.1 1.0 CD2 D:LEU28 4.6 7.5 1.0 O D:PRO125 4.7 9.7 1.0 CG C:HIS127 4.9 8.8 1.0 CG D:HIS127 4.9 6.9 1.0 ND1 C:HIS127 5.0 4.1 1.0 ND1 D:HIS127 5.0 2.1 1.0 CB D:VAL55 5.0 11.9 1.0

M.Lee, M.J.Maher, H.C.Freeman, J.M.Guss. Auracyanin B Structure in Space Group P6(5). Acta Crystallogr.,Sect.D V. 59 1545 2003.
ISSN: ISSN 0907-4449
PubMed: 12925783
DOI: 10.1107/S0907444903014161