Chlorine in PDB 7fc9: Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx

The structure of Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx, PDB code: 7fc9 was solved by D.Pan, R.Oyama, T.Sato, T.Nakane, R.Mizunuma, K.Matsuoka, Y.Joti, K.Tono, E.Nango, S.Iwata, T.Nakatsu, H.Kato, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	74.9, 285.9, 86.8, 90, 90, 90
R / Rfree (%)	19.2 / 21.8

The structure of Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Zinc	(Zn)	9 atoms

The binding sites of Chlorine atom in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx (pdb code 7fc9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx, PDB code: 7fc9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx


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 CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl713 b:88.0 occ:1.00 NE2 A:HIS518 2.5 66.2 1.0 CD2 A:HIS518 3.5 63.0 1.0 CE1 A:HIS518 3.5 69.1 1.0 CG A:PRO436 4.3 57.1 1.0 ND1 A:HIS518 4.6 66.2 1.0 CG A:HIS518 4.7 63.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx


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 CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl714 b:108.4 occ:1.00 CE1 A:HIS668 3.0 106.0 1.0 NE2 A:HIS668 3.3 106.3 1.0 ND1 A:HIS668 3.9 104.0 1.0 CD2 A:HIS668 4.3 102.3 1.0 CG A:HIS668 4.6 99.5 1.0

D.Pan, R.Oyama, T.Sato, T.Nakane, R.Mizunuma, K.Matsuoka, Y.Joti, K.Tono, E.Nango, S.Iwata, T.Nakatsu, H.Kato. Crystal Structure of CMABCB1 Multi-Drug Exporter in Lipidic Mesophase Revealed By Lcp-Sfx. Iucrj V. 9 134 2022.
ISSN: ESSN 2052-2525
PubMed: 35059217
DOI: 10.1107/S2052252521011611