Caesium in PDB 6hfb: Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily.

The structure of Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily., PDB code: 6hfb was solved by T.Nonaka, S.Zakrzewska, S.Safarian, H.Michel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	219.752, 94.246, 138.785, 90.00, 126.48, 90.00
R / Rfree (%)	18.9 / 23.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Caesium atom in the Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily. (pdb code 6hfb). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 12 binding sites of Caesium where determined in the Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily., PDB code: 6hfb:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Caesium binding site 1 out of 12 in the Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs501 b:74.3 occ:1.00 O A:THR223 3.0 60.8 1.0 O A:ARG221 3.0 61.2 1.0 OD1 A:ASP226 3.1 0.1 1.0 O A:VAL225 3.5 58.3 1.0 C A:THR223 4.1 48.0 1.0 C A:ARG221 4.1 47.5 1.0 CG A:ASP226 4.1 88.6 1.0 O A:TYR224 4.1 49.0 1.0 C A:VAL225 4.2 45.7 1.0 C A:TYR224 4.4 45.9 1.0 CA A:ASP226 4.6 63.5 1.0 CB A:ARG221 4.7 55.7 1.0 N A:ASP226 4.7 51.0 1.0 OG1 A:THR223 4.7 32.4 1.0 N A:THR223 4.8 41.9 1.0 OD2 A:ASP226 4.8 84.9 1.0 CA A:TYR224 4.8 41.9 1.0 N A:VAL225 4.8 40.8 1.0 CA A:ARG221 4.9 45.4 1.0 N A:TYR224 4.9 47.6 1.0 C A:ASP222 4.9 50.9 1.0

Caesium binding site 2 out of 12 in the Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs502 b:0.9 occ:1.00 OD2 A:ASP41 3.4 75.3 1.0 CD2 A:PHE63 4.5 69.8 1.0 CE2 A:PHE63 4.5 70.2 1.0 OD1 A:ASN38 4.5 68.9 1.0 CG A:ASP41 4.6 66.6 1.0 OH A:TYR139 4.6 48.0 1.0 OH A:TYR37 4.7 60.4 1.0 CD1 A:PHE60 4.9 77.9 1.0 CG1 A:VAL56 4.9 72.6 1.0

Caesium binding site 3 out of 12 in the Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs503 b:0.6 occ:1.00 O A:VAL415 4.1 0.3 1.0 O A:THR418 4.2 0.3 1.0 O A:HIS416 4.4 99.1 1.0 C A:HIS416 4.9 94.8 1.0

Caesium binding site 4 out of 12 in the Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs504 b:0.6 occ:1.00 CB A:ALA145 3.6 85.5 1.0 O C:LEU340 4.7 86.3 1.0 CA A:ALA145 4.8 70.8 1.0 NE2 C:GLN344 5.0 89.1 1.0

Caesium binding site 5 out of 12 in the Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cs501 b:80.6 occ:1.00 OD1 B:ASP226 3.2 95.8 1.0 O B:THR223 3.2 56.3 1.0 O B:VAL225 3.2 73.7 1.0 O B:ARG221 3.2 44.1 1.0 C B:VAL225 4.1 72.6 1.0 C B:THR223 4.1 47.7 1.0 CG B:ASP226 4.2 87.2 1.0 C B:ARG221 4.2 45.3 1.0 O B:TYR224 4.3 50.4 1.0 OG1 B:THR223 4.5 46.8 1.0 C B:TYR224 4.5 47.7 1.0 CA B:ASP226 4.5 68.2 1.0 N B:THR223 4.6 48.9 1.0 N B:ASP226 4.7 70.4 1.0 C B:ASP222 4.9 49.4 1.0 N B:VAL225 4.9 54.8 1.0 CB B:ARG221 4.9 39.4 1.0 CA B:THR223 4.9 50.1 1.0 CB B:ASP226 5.0 77.3 1.0 CE B:LYS4 5.0 95.6 1.0 N B:TYR224 5.0 44.8 1.0

Caesium binding site 6 out of 12 in the Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cs502 b:0.2 occ:0.50 O B:HIS416 3.5 61.3 1.0 C B:HIS416 4.3 55.1 1.0 CA B:HIS416 4.8 54.8 1.0

Caesium binding site 7 out of 12 in the Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cs501 b:75.1 occ:1.00 OD1 C:ASP226 3.1 75.5 1.0 O C:THR223 3.1 59.9 1.0 O C:VAL225 3.3 55.5 1.0 O C:ARG221 3.6 46.7 1.0 O C:TYR224 4.0 53.6 1.0 C C:THR223 4.1 53.0 1.0 C C:VAL225 4.2 51.9 1.0 CG C:ASP226 4.3 73.1 1.0 OG1 C:THR223 4.4 52.0 1.0 C C:ARG221 4.4 49.2 1.0 C C:TYR224 4.4 52.1 1.0 N C:THR223 4.4 41.7 1.0 CA C:ASP226 4.5 56.7 1.0 N C:ASP226 4.7 53.5 1.0 CA C:THR223 4.8 49.2 1.0 N C:TYR224 4.9 45.9 1.0 C C:ASP222 4.9 52.5 1.0 CA C:TYR224 4.9 47.4 1.0 N C:VAL225 5.0 48.8 1.0

Caesium binding site 8 out of 12 in the Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cs502 b:0.6 occ:1.00 OD2 C:ASP41 3.2 72.4 1.0 OH C:TYR37 4.1 40.6 1.0 OD1 C:ASN38 4.1 55.5 1.0 CE2 C:TYR37 4.3 37.8 1.0 CG C:ASP41 4.3 59.9 1.0 OH C:TYR139 4.4 75.3 1.0 CZ C:TYR37 4.5 37.9 1.0 CB C:ASP41 4.9 47.2 1.0

Caesium binding site 9 out of 12 in the Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cs503 b:0.7 occ:1.00 O C:VAL415 3.4 99.3 1.0 O C:THR418 3.8 0.7 1.0 NH1 D:ARG22 4.3 0.2 1.0 C C:VAL415 4.6 89.5 1.0 CG2 C:THR419 4.7 0.8 1.0 CA C:HIS416 4.9 0.4 1.0 NH2 D:ARG22 5.0 1.0 1.0 C C:THR418 5.0 0.2 1.0 C C:HIS416 5.0 0.8 1.0

Caesium binding site 10 out of 12 in the Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 10 of Outward-Facing Conformation of A Multidrug Resistance Mate Family Transporter of the Mop Superfamily. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cs501 b:0.4 occ:1.00 O D:THR223 3.0 0.3 1.0 OD1 D:ASP226 3.0 0.9 1.0 O D:VAL225 3.3 0.4 1.0 O D:ARG221 3.6 98.8 1.0 C D:THR223 4.1 94.2 1.0 C D:VAL225 4.2 0.4 1.0 C D:ARG221 4.2 96.8 1.0 CG D:ASP226 4.3 0.0 1.0 N D:THR223 4.3 92.6 1.0 OG1 D:THR223 4.5 73.8 1.0 CA D:ASP226 4.6 0.1 1.0 C D:ASP222 4.7 96.4 1.0 O D:TYR224 4.7 99.3 1.0 N D:ASP222 4.7 98.5 1.0 CA D:ASP222 4.7 99.6 1.0 C D:TYR224 4.7 97.4 1.0 N D:ASP226 4.7 0.5 1.0 CA D:THR223 4.8 85.4 1.0 N D:VAL225 4.9 86.4 1.0 CA D:ARG221 5.0 92.4 1.0 CB D:ARG221 5.0 96.7 1.0

S.Zakrzewska, A.R.Mehdipour, V.N.Malviya, T.Nonaka, J.Koepke, C.Muenke, W.Hausner, G.Hummer, S.Safarian, H.Michel. Inward-Facing Conformation of A Multidrug Resistance Mate Family Transporter. Proc.Natl.Acad.Sci.Usa V. 116 12275 2019.
ISSN: ESSN 1091-6490
PubMed: 31160466
DOI: 10.1073/PNAS.1904210116