Chlorine in PDB 5t77: Crystal Structure of the Mop Flippase Murj

The structure of Crystal Structure of the Mop Flippase Murj, PDB code: 5t77 was solved by A.C.Y.Kuk, S.-Y.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.19 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	94.163, 99.573, 74.660, 90.00, 112.91, 90.00
R / Rfree (%)	18.9 / 21.4

The structure of Crystal Structure of the Mop Flippase Murj also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Calcium	(Ca)	3 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Mop Flippase Murj (pdb code 5t77). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Mop Flippase Murj, PDB code: 5t77:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of the Mop Flippase Murj


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 the Mop Flippase Murj within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:30.2 occ:1.00 HH A:TYR41 2.3 28.7 1.0 HH12 A:ARG255 2.5 33.5 1.0 HH22 A:ARG255 2.6 33.9 1.0 HD2 A:ARG24 3.0 37.5 1.0 HE2 A:PHE28 3.1 31.6 1.0 OH A:TYR41 3.1 23.9 1.0 HD13 A:ILE45 3.1 28.3 1.0 HE2 A:TYR41 3.1 26.4 1.0 O A:HOH743 3.1 28.7 1.0 HD13 A:ILE165 3.2 28.3 1.0 NH1 A:ARG255 3.3 27.9 1.0 NH2 A:ARG255 3.3 28.3 1.0 HZ A:PHE28 3.6 30.3 1.0 CZ A:ARG255 3.8 28.2 1.0 CE2 A:TYR41 3.8 22.0 1.0 CD1 A:ILE45 3.8 23.6 1.0 HD11 A:ILE45 3.8 28.3 1.0 CE2 A:PHE28 3.9 26.4 1.0 CD A:ARG24 3.9 31.2 1.0 HG21 A:ILE165 3.9 26.9 1.0 CZ A:TYR41 3.9 22.6 1.0 HE1 A:PHE42 4.0 26.5 1.0 HH11 A:ARG255 4.0 33.5 1.0 HH21 A:ARG255 4.0 33.9 1.0 HD12 A:ILE45 4.1 28.3 1.0 HD2 A:PHE184 4.1 23.9 1.0 CD1 A:ILE165 4.1 23.6 1.0 CZ A:PHE28 4.1 25.2 1.0 NE A:ARG24 4.1 33.3 1.0 HD3 A:ARG24 4.3 37.5 1.0 HH11 A:ARG24 4.4 37.0 1.0 HD11 A:ILE165 4.4 28.3 1.0 HD12 A:ILE165 4.4 28.3 1.0 HE A:ARG24 4.5 40.0 1.0 CZ A:ARG24 4.5 32.1 1.0 HE2 A:PHE184 4.5 24.4 1.0 NH1 A:ARG24 4.6 30.9 1.0 CE1 A:PHE42 4.8 22.1 1.0 CG2 A:ILE165 4.8 22.4 1.0 HG2 A:ARG24 4.9 33.3 1.0 CD2 A:PHE184 4.9 19.9 1.0 HG21 A:ILE45 4.9 27.2 1.0 CG A:ARG24 4.9 27.8 1.0 HD1 A:PHE42 4.9 28.1 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of the Mop Flippase Murj


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 the Mop Flippase Murj within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:35.9 occ:1.00 ZN A:ZN506 2.2 33.6 1.0 HZ1 A:LYS71 2.5 49.5 1.0 HB2 A:HIS213 2.8 43.5 1.0 HB3 A:HIS210 3.0 32.5 1.0 HE1 A:PHE79 3.1 31.4 1.0 HD1 A:PHE79 3.1 31.8 1.0 NZ A:LYS71 3.3 41.3 1.0 HB3 A:HIS213 3.4 43.5 1.0 HD22 A:LEU67 3.4 48.8 1.0 HD13 A:LEU67 3.4 44.8 1.0 HE3 A:LYS71 3.4 47.7 1.0 ND1 A:HIS210 3.5 30.1 1.0 CB A:HIS213 3.5 36.3 1.0 HB3 A:LEU67 3.6 43.7 1.0 HE2 A:LYS71 3.6 47.7 1.0 CE1 A:PHE79 3.6 26.2 1.0 CD1 A:PHE79 3.6 26.5 1.0 CE A:LYS71 3.7 39.8 1.0 CL A:CL503 3.7 38.7 1.0 HZ2 A:LYS71 3.7 49.5 1.0 ND1 A:HIS213 3.7 34.9 1.0 HZ3 A:LYS71 3.9 49.5 1.0 CB A:HIS210 3.9 27.1 1.0 CG A:HIS210 4.0 30.0 1.0 CG A:HIS213 4.1 36.9 1.0 O A:HIS210 4.2 26.3 1.0 CD2 A:LEU67 4.3 40.6 1.0 CD1 A:LEU67 4.3 37.3 1.0 HA A:HIS210 4.3 33.3 1.0 CE1 A:HIS210 4.4 33.6 1.0 H A:PHE214 4.4 34.6 1.0 CB A:LEU67 4.5 36.4 1.0 HB2 A:PHE214 4.6 33.8 1.0 HB2 A:HIS210 4.6 32.5 1.0 CG A:LEU67 4.6 38.6 1.0 N A:PHE214 4.6 28.9 1.0 CA A:HIS210 4.6 27.8 1.0 HE1 A:HIS210 4.7 40.3 1.0 HD21 A:LEU67 4.7 48.8 1.0 HD11 A:LEU67 4.8 44.8 1.0 CA A:HIS213 4.8 35.4 1.0 OE2 A:GLU70 4.8 45.8 1.0 C A:HIS213 4.8 32.4 1.0 HA A:PHE214 4.8 34.0 1.0 CZ A:PHE79 4.9 26.0 1.0 HD23 A:LEU67 4.9 48.8 1.0 CG A:PHE79 4.9 25.9 1.0 C A:HIS210 4.9 27.2 1.0 HD12 A:LEU67 4.9 44.8 1.0 CE1 A:HIS213 5.0 37.5 1.0 HB2 A:LEU67 5.0 43.7 1.0 HB2 A:PHE79 5.0 30.6 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of the Mop Flippase Murj


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Mop Flippase Murj within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:38.7 occ:1.00 ZN A:ZN506 2.3 33.6 1.0 HE1 A:HIS210 2.9 40.3 1.0 HZ2 A:LYS71 3.2 49.5 1.0 ND1 A:HIS210 3.3 30.1 1.0 CE1 A:HIS210 3.4 33.6 1.0 HZ1 A:LYS71 3.4 49.5 1.0 ND1 A:HIS213 3.4 34.9 1.0 CL A:CL502 3.7 35.9 1.0 NZ A:LYS71 3.7 41.3 1.0 HE1 A:HIS213 3.7 45.0 1.0 CE1 A:HIS213 3.9 37.5 1.0 HE3 A:LYS71 4.2 47.7 1.0 HZ3 A:LYS71 4.4 49.5 1.0 CG A:HIS213 4.5 36.9 1.0 CE A:LYS71 4.6 39.8 1.0 HB3 A:HIS213 4.7 43.5 1.0 NE2 A:HIS210 4.7 35.0 1.0 CG A:HIS210 4.7 30.0 1.0 OE2 A:GLU70 4.9 45.8 1.0 HB2 A:HIS213 4.9 43.5 1.0 NE2 A:HIS213 5.0 39.1 1.0 CB A:HIS213 5.0 36.3 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of the Mop Flippase Murj


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Mop Flippase Murj within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:35.7 occ:1.00 H A:GLY73 2.5 36.1 1.0 HA A:SER72 2.9 37.3 1.0 HZ2 A:LYS76 3.0 57.6 1.0 N A:GLY73 3.3 30.1 1.0 HB2 A:SER72 3.4 39.6 1.0 CA A:SER72 3.6 31.1 1.0 HE3 A:LYS76 3.8 54.7 1.0 NZ A:LYS76 3.8 48.0 1.0 HD2 A:LYS76 3.8 51.2 1.0 C A:SER72 3.9 30.7 1.0 CB A:SER72 3.9 33.0 1.0 HZ1 A:LYS76 4.0 57.6 1.0 HA2 A:GLY73 4.1 36.5 1.0 HB3 A:SER72 4.2 39.6 1.0 CE A:LYS76 4.2 45.6 1.0 CA A:GLY73 4.3 30.4 1.0 HZ3 A:LYS76 4.5 57.6 1.0 CD A:LYS76 4.5 42.7 1.0 O A:LYS71 4.7 36.1 1.0 HB2 A:LYS76 4.7 44.6 1.0 O A:HOH689 4.8 50.5 1.0 N A:SER72 4.9 30.9 1.0 O A:GLY73 4.9 28.4 1.0 HA3 A:GLY73 5.0 36.5 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of the Mop Flippase Murj


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Mop Flippase Murj within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:33.2 occ:1.00 H A:TYR36 2.4 34.3 1.0 HD2 A:LYS244 2.7 51.7 1.0 HD1 A:TYR36 2.9 39.2 1.0 HA A:SER35 2.9 35.2 1.0 HZ2 A:LYS244 3.0 63.3 1.0 HB3 A:TYR36 3.2 37.9 1.0 N A:TYR36 3.2 28.6 1.0 HE3 A:LYS244 3.3 57.9 1.0 CD A:LYS244 3.5 43.1 1.0 OG A:SER35 3.6 34.4 1.0 HG3 A:LYS244 3.7 47.2 1.0 CE A:LYS244 3.7 48.3 1.0 CA A:SER35 3.7 29.3 1.0 NZ A:LYS244 3.7 52.8 1.0 CD1 A:TYR36 3.8 32.6 1.0 O A:HOH724 3.9 34.0 1.0 C A:SER35 3.9 29.2 1.0 CB A:TYR36 4.0 31.6 1.0 CB A:SER35 4.0 30.1 1.0 CG A:LYS244 4.1 39.4 1.0 HB2 A:SER35 4.1 36.2 1.0 HB2 A:LYS244 4.1 43.9 1.0 HG A:SER35 4.2 41.2 1.0 CA A:TYR36 4.2 29.2 1.0 O A:HOH725 4.2 52.4 1.0 HZ1 A:LYS244 4.2 63.3 1.0 HD3 A:LYS244 4.2 51.7 1.0 HZ3 A:LYS244 4.3 63.3 1.0 CG A:TYR36 4.4 31.7 1.0 HE2 A:LYS244 4.6 57.9 1.0 HA A:TYR36 4.7 35.1 1.0 CB A:LYS244 4.7 36.5 1.0 HB2 A:TYR36 4.8 37.9 1.0 H A:GLU37 4.8 32.7 1.0 CE1 A:TYR36 4.8 31.5 1.0 O A:VAL34 4.8 28.8 1.0 HE1 A:TYR36 4.8 37.8 1.0 HG2 A:LYS244 4.9 47.2 1.0 N A:SER35 4.9 28.8 1.0 HB3 A:SER35 5.0 36.2 1.0

A.C.Kuk, E.H.Mashalidis, S.Y.Lee. Crystal Structure of the Mop Flippase Murj in An Inward-Facing Conformation. Nat. Struct. Mol. Biol. V. 24 171 2017.
ISSN: ESSN 1545-9985
PubMed: 28024149
DOI: 10.1038/NSMB.3346