Chlorine in PDB 4mlb: Reverse Polarity of Binding Pocket Suggests Different Function of A Mop Superfamily Transporter From Pyrococcus Furiosus VC1 (DSM3638)

The structure of Reverse Polarity of Binding Pocket Suggests Different Function of A Mop Superfamily Transporter From Pyrococcus Furiosus VC1 (DSM3638), PDB code: 4mlb was solved by V.N.Malviya, T.Nonaka, C.Muenke, J.Koepke, H.Michel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.24 / 2.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	219.560, 94.548, 138.822, 90.00, 126.47, 90.00
R / Rfree (%)	20.3 / 23.1

The binding sites of Chlorine atom in the Reverse Polarity of Binding Pocket Suggests Different Function of A Mop Superfamily Transporter From Pyrococcus Furiosus VC1 (DSM3638) (pdb code 4mlb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Reverse Polarity of Binding Pocket Suggests Different Function of A Mop Superfamily Transporter From Pyrococcus Furiosus VC1 (DSM3638), PDB code: 4mlb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Reverse Polarity of Binding Pocket Suggests Different Function of A Mop Superfamily Transporter From Pyrococcus Furiosus VC1 (DSM3638)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Reverse Polarity of Binding Pocket Suggests Different Function of A Mop Superfamily Transporter From Pyrococcus Furiosus VC1 (DSM3638) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl518 b:29.9 occ:1.00 O A:HOH652 2.6 35.0 1.0 O A:HOH671 3.0 28.1 1.0 OG1 B:THR190 3.0 29.5 1.0 NE1 A:TRP216 3.1 21.6 1.0 CG2 B:THR190 3.7 21.1 1.0 CB B:THR190 3.7 28.3 1.0 CD1 A:TRP216 3.8 26.1 1.0 CE2 A:TYR215 3.9 31.9 1.0 NZ A:LYS220 4.0 45.3 1.0 CA B:THR190 4.0 26.1 1.0 O11 A:CXE506 4.1 46.4 1.0 C10 A:CXE506 4.1 39.0 1.0 CD A:LYS220 4.2 39.5 1.0 CD2 A:TYR215 4.3 24.5 1.0 CE2 A:TRP216 4.3 24.9 1.0 O A:HOH607 4.5 34.2 1.0 N B:THR190 4.6 26.4 1.0 C8 A:CXE506 4.7 29.5 1.0 CE A:LYS220 4.7 47.3 1.0 CZ2 A:TRP216 4.8 26.8 1.0 CD1 A:PHE212 4.8 27.2 1.0 CE1 A:PHE212 4.8 29.1 1.0 O A:HOH698 4.9 52.6 1.0

Chlorine binding site 2 out of 2 in the Reverse Polarity of Binding Pocket Suggests Different Function of A Mop Superfamily Transporter From Pyrococcus Furiosus VC1 (DSM3638)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Reverse Polarity of Binding Pocket Suggests Different Function of A Mop Superfamily Transporter From Pyrococcus Furiosus VC1 (DSM3638) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl519 b:37.1 occ:1.00 OG1 A:THR190 2.9 35.1 1.0 NE1 B:TRP216 3.2 31.5 1.0 O B:HOH660 3.4 43.2 1.0 CE2 B:TYR215 3.7 25.6 1.0 CB A:THR190 3.8 30.1 1.0 C16 A:CXE502 3.8 48.8 1.0 CG2 A:THR190 3.9 26.2 1.0 C15 A:CXE502 3.9 34.4 1.0 CA A:THR190 4.0 36.1 1.0 CD1 B:TRP216 4.0 25.2 1.0 O14 A:CXE502 4.2 39.1 1.0 CD2 B:TYR215 4.2 26.7 1.0 CE2 B:TRP216 4.2 25.2 1.0 O17 A:CXE502 4.4 56.9 1.0 O B:HOH615 4.4 36.6 1.0 CE B:LYS220 4.5 41.8 1.0 N A:THR190 4.5 31.9 1.0 CZ2 B:TRP216 4.6 29.5 1.0 CD B:LYS220 4.7 46.6 1.0 CZ B:TYR215 4.9 34.6 1.0 CD1 B:PHE212 4.9 23.2 1.0 NZ B:LYS220 5.0 50.4 1.0

V.N.Malviya, T.Nonaka, C.Muenke, J.Koepke, H.Michel. Reverse Polarity of Binding Pocket Suggests Different Function of A Mop Superfamily Transporter From Pyrococcus Furiosus VC1 (DSM3638) To Be Published.