Zinc 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
Chlorine	(Cl)	2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 9 binding sites of Zinc where determined in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx, PDB code: 7fc9:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Zinc binding site 1 out of 9 in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx


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Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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:Zn702 b:39.9 occ:1.00 O1G A:ANP701 2.0 32.3 1.0 OE2 A:GLU610 2.0 39.2 1.0 NE2 A:HIS643 2.0 44.1 1.0 CD A:GLU610 2.7 37.1 1.0 OE1 A:GLU610 2.8 38.0 1.0 CE1 A:HIS643 2.9 45.5 1.0 CD2 A:HIS643 3.0 44.8 1.0 PG A:ANP701 3.0 34.5 1.0 O A:HOH803 3.3 45.2 1.0 O2G A:ANP701 3.3 32.2 1.0 O3G A:ANP701 3.6 34.4 1.0 NE2 A:GLN529 3.7 37.3 1.0 O A:HOH821 4.0 32.7 1.0 ND1 A:HIS643 4.0 44.6 1.0 NZ A:LYS484 4.1 38.2 1.0 CG A:HIS643 4.1 45.4 1.0 CG A:GLU610 4.2 37.5 1.0 CE A:LYS484 4.3 39.2 1.0 N3B A:ANP701 4.4 34.7 1.0 MG A:MG703 4.7 30.6 1.0 O A:HOH935 4.7 52.8 1.0 CD A:GLN529 4.8 37.4 1.0

Zinc binding site 2 out of 9 in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx


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Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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:Zn704 b:65.6 occ:1.00 OD1 A:ASP227 1.9 50.5 1.0 OG A:SER292 2.0 51.1 1.0 O A:HOH942 2.5 58.1 1.0 CG A:ASP227 2.8 46.3 1.0 O A:HOH933 2.9 52.6 1.0 MG A:MG705 3.1 27.3 1.0 CB A:SER292 3.2 51.2 1.0 OD2 A:ASP227 3.2 47.2 1.0 CA A:SER292 3.5 50.2 1.0 CB A:ASP227 4.2 46.4 1.0 N A:SER292 4.2 48.3 1.0 OD1 A:ASN226 4.3 63.0 1.0 N A:ASP227 4.4 44.8 1.0 CA A:ASP227 4.6 44.3 1.0 CB A:ASN226 4.6 52.4 1.0 OE1 A:GLU412 4.6 59.1 1.0 O A:THR288 4.8 60.9 1.0 C A:SER292 4.8 50.9 1.0 CG A:ASN226 4.9 57.4 1.0

Zinc binding site 3 out of 9 in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn706 b:59.1 occ:1.00 O A:HOH824 1.9 49.5 1.0 OD2 A:ASP551 2.2 53.1 1.0 CG A:ASP551 3.0 45.6 1.0 ZN A:ZN708 3.2 61.8 1.0 OD1 A:ASP551 3.3 46.2 1.0 ZN A:ZN707 3.5 48.0 1.0 CB A:ASP551 4.4 44.6 1.0 OE2 A:GLU552 4.4 46.3 1.0

Zinc binding site 4 out of 9 in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn707 b:48.0 occ:1.00 OE2 A:GLU552 2.2 46.3 1.0 OE1 A:GLU552 2.3 45.9 1.0 OD1 A:ASP551 2.3 46.2 1.0 CD A:GLU552 2.5 42.3 1.0 ZN A:ZN708 3.1 61.8 1.0 CG A:ASP551 3.3 45.6 1.0 ZN A:ZN706 3.5 59.1 1.0 OD2 A:ASP551 3.6 53.1 1.0 CG A:GLU552 4.0 42.2 1.0 N A:GLU552 4.4 41.1 1.0 N A:ASP551 4.5 41.9 1.0 O A:HOH824 4.6 49.5 1.0 CB A:ASP551 4.6 44.6 1.0 CB A:THR550 4.6 45.7 1.0 CB A:GLU552 4.8 41.1 1.0 CA A:ASP551 4.9 42.9 1.0

Zinc binding site 5 out of 9 in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn708 b:61.8 occ:1.00 ZN A:ZN707 3.1 48.0 1.0 ZN A:ZN706 3.2 59.1 1.0 O A:HOH824 4.4 49.5 1.0 OE2 A:GLU552 4.5 46.3 1.0 OD1 A:ASP551 4.7 46.2 1.0 OD2 A:ASP551 4.9 53.1 1.0

Zinc binding site 6 out of 9 in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn709 b:83.1 occ:1.00 OE2 A:GLU459 1.9 57.1 1.0 ND1 A:HIS449 2.0 43.6 1.0 O A:HOH931 2.3 71.5 1.0 O A:HOH939 2.5 64.8 1.0 CD A:GLU459 2.5 51.1 1.0 OE1 A:GLU459 2.6 58.3 1.0 CE1 A:HIS449 2.8 43.7 1.0 CG A:HIS449 3.1 43.8 1.0 CB A:HIS449 3.6 43.7 1.0 CG A:GLU459 4.0 50.1 1.0 NE2 A:HIS449 4.0 47.5 1.0 CD2 A:HIS449 4.2 44.3 1.0 CA A:ARG462 4.7 47.7 1.0 CA A:HIS449 4.7 42.9 1.0 C A:ARG462 4.9 47.4 1.0 O A:LEU461 5.0 41.0 1.0 N A:GLY463 5.0 49.3 1.0 CB A:GLU459 5.0 47.0 1.0

Zinc binding site 7 out of 9 in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn710 b:55.3 occ:0.50 NE2 A:HIS449 2.0 47.5 1.0 OD1 A:ASN447 2.0 54.5 1.0 CG A:ASN447 2.8 54.3 1.0 CE1 A:HIS449 2.8 43.7 1.0 ND2 A:ASN447 2.9 62.5 1.0 CD2 A:HIS449 3.1 44.3 1.0 CA A:GLY463 3.9 47.8 1.0 ND1 A:HIS449 4.0 43.6 1.0 O A:HOH893 4.1 60.9 1.0 CG A:HIS449 4.1 43.8 1.0 CB A:ASN447 4.2 49.5 1.0 O A:ASN447 4.4 44.9 1.0 CA A:ASN447 4.7 47.5 1.0 C A:ASN447 4.7 45.5 1.0 N A:GLY463 4.8 49.3 1.0

Zinc binding site 8 out of 9 in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn711 b:60.8 occ:1.00 OE2 A:GLU219 1.9 48.5 1.0 O A:HOH900 2.1 56.1 1.0 O A:HOH932 2.3 47.8 1.0 OE1 A:GLU293 2.3 56.5 1.0 OE2 A:GLU293 2.7 53.5 1.0 CD A:GLU293 2.8 56.5 1.0 CD A:GLU219 2.8 42.4 1.0 OE1 A:GLU219 3.1 37.7 1.0 NZ A:LYS223 4.0 61.2 1.0 CG A:GLU219 4.2 41.2 1.0 NH1 A:ARG215 4.2 50.6 1.0 NE A:ARG215 4.3 45.3 1.0 CG A:GLU293 4.3 53.4 1.0 NZ A:LYS216 4.7 67.0 1.0 CZ A:ARG215 4.7 47.1 1.0 CE A:LYS223 5.0 59.1 1.0

Zinc binding site 9 out of 9 in the Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of CMABCB1 in Lipidic Mesophase Revealed By Lcp-Sfx within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn712 b:74.2 occ:1.00 OE2 A:GLU131 1.8 63.9 1.0 O A:HOH923 2.0 61.9 1.0 O A:HOH903 2.1 79.6 1.0 OE2 A:GLU174 2.2 71.2 1.0 OE1 A:GLU174 2.7 73.3 1.0 CD A:GLU174 2.7 70.3 1.0 CD A:GLU131 2.9 68.6 1.0 CG A:GLU131 3.4 67.2 1.0 OE1 A:GLU131 3.9 68.5 1.0 CG A:GLU174 4.2 68.2 1.0 CZ A:PHE243 4.2 62.3 1.0 CE1 A:PHE243 4.4 63.7 1.0 NH2 A:ARG181 4.4 64.5 1.0 CB A:ALA178 4.4 59.4 1.0 CB A:GLU131 4.9 65.5 1.0 CE2 A:PHE243 5.0 64.8 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