Chlorine in PDB 4m8l: Crystal Structure of Rpia-R5P Complex

All present enzymatic activity of Crystal Structure of Rpia-R5P Complex:
5.3.1.6;

The structure of Crystal Structure of Rpia-R5P Complex, PDB code: 4m8l was solved by R.Rostankowski, D.Borek, M.Orlikowska, C.Nakka, S.Grimshaw, Z.Otwinowski, Center For Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.75 / 2.37
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	168.203, 151.958, 36.290, 90.00, 93.98, 90.00
R / Rfree (%)	23.7 / 27.4

The binding sites of Chlorine atom in the Crystal Structure of Rpia-R5P Complex (pdb code 4m8l). 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 Rpia-R5P Complex, PDB code: 4m8l:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Rpia-R5P Complex


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 Rpia-R5P Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl317 b:44.8 occ:1.00 NH1 A:ARG146 3.0 39.8 1.0 CD2 A:LEU175 3.7 23.3 1.0 CB A:TYR162 3.9 33.4 1.0 CB A:ALA150 4.1 25.5 1.0 CG A:ARG146 4.3 34.1 1.0 CZ A:ARG146 4.3 38.0 1.0 N A:TYR162 4.3 30.1 1.0 CD A:ARG146 4.5 35.8 1.0 O A:PRO160 4.6 40.1 1.0 CA A:TYR162 4.6 32.8 1.0 NE A:ARG146 4.9 35.3 1.0 O A:ARG146 5.0 30.3 1.0 CG A:TYR162 5.0 33.6 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Rpia-R5P Complex


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 Rpia-R5P Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl315 b:60.0 occ:1.00 OD1 B:ASP61 2.6 39.6 1.0 NE B:ARG64 2.8 23.6 1.0 NH2 B:ARG64 3.0 23.9 1.0 CZ B:ARG64 3.3 24.0 1.0 CA B:ASP61 3.6 27.5 1.0 CG B:ASP61 3.6 33.8 1.0 O B:ASP61 3.7 27.6 1.0 CD B:ARG64 3.9 23.6 1.0 CB B:ARG64 3.9 24.1 1.0 CB B:ASP61 4.0 29.0 1.0 C B:ASP61 4.1 25.0 1.0 CG B:ARG64 4.5 23.5 1.0 NH1 B:ARG64 4.6 22.0 1.0 OD2 B:ASP61 4.7 39.4 1.0 N B:ASP61 4.7 26.4 1.0 O B:GLU60 4.8 26.5 1.0 CG B:LYS65 5.0 31.6 1.0 CE B:LYS65 5.0 34.4 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Rpia-R5P Complex


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 Rpia-R5P Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl316 b:61.5 occ:1.00 O B:HOH404 3.3 26.3 1.0 OE1 B:GLU164 3.4 71.3 1.0 O B:TYR162 4.2 34.5 1.0 CA B:ARG163 4.3 34.8 1.0 CG1 B:VAL161 4.4 32.3 1.0 N B:GLU164 4.6 42.9 1.0 CD B:GLU164 4.6 65.4 1.0 CG B:ARG163 4.7 35.7 1.0 C B:TYR162 4.9 33.4 1.0 CB B:ARG163 4.9 35.2 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Rpia-R5P Complex


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 Rpia-R5P Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl317 b:60.7 occ:1.00 NH1 B:ARG49 3.1 39.2 0.5 NH2 B:ARG49 3.1 44.7 0.5 O B:HOH483 3.2 47.7 1.0 O B:ILE52 3.4 39.5 1.0 O B:LYS53 3.5 31.6 1.0 CZ B:ARG49 3.6 42.3 0.5 CG2 B:VAL55 3.8 28.0 1.0 C B:LYS53 3.9 36.0 1.0 O B:ASP72 4.0 33.4 1.0 CD1 B:PHE71 4.1 29.8 1.0 CG2 B:ILE52 4.1 35.0 1.0 N B:THR54 4.3 33.3 1.0 C B:ILE52 4.3 37.5 1.0 CA B:THR54 4.3 31.6 1.0 N B:VAL55 4.4 26.3 1.0 N B:ASP72 4.5 33.1 1.0 C B:THR54 4.6 30.3 1.0 CE1 B:PHE71 4.7 29.9 1.0 CA B:LYS53 4.8 37.9 1.0 CB B:VAL55 4.8 27.5 1.0 CB B:ILE52 4.9 35.0 1.0 NE B:ARG49 4.9 41.3 0.5 N B:LYS53 4.9 36.2 1.0 C B:ASP72 5.0 32.8 1.0 CB B:ASP72 5.0 39.9 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Rpia-R5P Complex


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 Rpia-R5P Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl313 b:67.0 occ:1.00 NE2 C:GLN152 3.4 26.8 1.0 NE C:ARG151 3.5 35.0 1.0 CD C:ARG151 3.9 33.8 1.0 CB C:ARG151 4.2 31.5 1.0 CE C:LYS155 4.4 54.8 1.0 NZ C:LYS155 4.4 58.3 1.0 CZ C:ARG151 4.6 36.8 1.0 CD C:GLN152 4.6 27.2 1.0 CG C:ARG151 4.7 31.8 1.0 NH2 C:ARG151 4.8 37.9 1.0 OE1 C:GLN152 5.0 28.3 1.0

R.Rostankowski, D.Borek, M.Orlikowska, C.Nakka, S.Grimshaw, Z.Otwinowski, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Rpia-R5P Complex To Be Published.