Chlorine in PDB 2php: Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA)

The structure of Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA), PDB code: 2php was solved by S.Eswaramoorthy, S.K.Burley, S.Swaminathan, New York Sgxresearch Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.03
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	147.077, 112.141, 67.253, 90.00, 109.28, 90.00
R / Rfree (%)	21.6 / 23.8

The binding sites of Chlorine atom in the Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA) (pdb code 2php). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA), PDB code: 2php:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in the Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA)


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 C-Terminal Domain of Protein MJ0236 (Y236_METJA) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:42.0 occ:1.00 NE2 A:HIS314 3.1 42.4 1.0 NE A:ARG397 3.2 32.5 1.0 CB A:ASN334 3.7 23.2 1.0 CG A:MSE395 3.7 34.1 1.0 NH2 A:ARG397 3.8 33.6 1.0 CD2 A:HIS314 3.8 42.0 1.0 CZ A:ARG397 3.9 34.6 1.0 CD A:ARG397 4.0 32.6 1.0 CE1 A:HIS314 4.2 42.3 1.0 CG A:ASN334 4.2 24.6 1.0 CG A:ARG397 4.3 28.8 1.0 CD1 A:ILE315 4.3 40.7 1.0 ND2 A:ASN334 4.3 26.8 1.0 CD1 A:ILE318 4.4 31.9 1.0 CB A:MSE395 4.5 31.0 1.0 CE A:MSE395 4.5 36.9 1.0 SE A:MSE366 4.5 52.5 1.0 SE A:MSE395 4.7 42.4 1.0 OD1 A:ASN334 4.9 26.6 1.0

Chlorine binding site 2 out of 9 in the Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA)


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 C-Terminal Domain of Protein MJ0236 (Y236_METJA) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl6 b:49.1 occ:1.00 NH2 A:ARG292 2.9 52.5 1.0 OG A:SER312 2.9 41.6 1.0 ND2 A:ASN272 3.2 25.6 1.0 NZ B:LYS297 3.3 46.5 1.0 NE A:ARG292 3.3 44.5 1.0 CZ A:ARG292 3.5 48.1 1.0 CB A:SER312 3.7 40.5 1.0 CB A:ASN272 3.9 23.2 1.0 CG A:ASN272 4.0 27.3 1.0 O A:HOH483 4.1 40.7 1.0 CE B:LYS297 4.1 46.7 1.0 CG1 A:ILE315 4.4 36.4 1.0 CB A:HIS314 4.5 38.1 1.0 CD A:ARG292 4.6 40.3 1.0 CA A:SER312 4.7 40.0 1.0 CD B:LYS297 4.7 46.7 1.0 NH1 A:ARG292 4.8 46.6 1.0 CG A:ARG292 4.9 36.9 1.0

Chlorine binding site 3 out of 9 in the Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA)


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 C-Terminal Domain of Protein MJ0236 (Y236_METJA) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8 b:48.3 occ:1.00 OG A:SER364 3.2 52.2 1.0 N A:MSE366 3.3 41.1 1.0 CD A:LYS317 3.4 43.6 1.0 CE A:LYS317 3.5 45.8 1.0 CB A:MSE366 3.6 43.4 1.0 CG A:MSE366 3.6 45.9 1.0 N A:THR365 3.6 43.3 1.0 CB A:SER364 3.9 49.2 1.0 C A:SER364 4.0 45.6 1.0 CA A:MSE366 4.1 41.4 1.0 CA A:THR365 4.2 41.9 1.0 C A:THR365 4.2 41.5 1.0 CA A:SER364 4.2 48.1 1.0 CB A:THR365 4.3 41.1 1.0 O A:HOH443 4.7 46.0 1.0 NZ A:LYS317 4.7 48.1 1.0 OG1 A:THR365 4.8 42.2 1.0 O A:HOH474 4.8 25.3 1.0 ND1 A:HIS314 4.8 42.1 1.0 O A:SER364 4.8 45.6 1.0 CG A:LYS317 4.8 39.7 1.0 N A:GLU367 4.9 40.3 1.0

Chlorine binding site 4 out of 9 in the Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA)


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 C-Terminal Domain of Protein MJ0236 (Y236_METJA) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:44.1 occ:1.00 NE B:ARG397 3.1 35.0 1.0 NE2 B:HIS314 3.1 33.9 1.0 O B:HOH515 3.2 41.1 1.0 NH2 B:ARG397 3.6 32.6 1.0 O B:HOH485 3.6 40.5 1.0 CG B:MSE395 3.6 32.8 1.0 CZ B:ARG397 3.7 35.1 1.0 CB B:ASN334 3.7 27.4 1.0 CD2 B:HIS314 3.9 34.9 1.0 CD B:ARG397 4.0 34.1 1.0 CG B:ARG397 4.1 31.4 1.0 CE1 B:HIS314 4.1 35.3 1.0 CG B:ASN334 4.2 28.4 1.0 ND2 B:ASN334 4.3 27.1 1.0 CB B:MSE395 4.4 32.0 1.0 SE B:MSE366 4.4 51.5 1.0 CD1 B:ILE318 4.5 27.2 1.0 CE B:MSE395 4.5 36.0 1.0 CD1 B:ILE315 4.5 36.9 1.0 SE B:MSE395 4.6 43.0 1.0 NH1 B:ARG397 4.8 35.5 1.0 OD1 B:ASN334 5.0 26.6 1.0

Chlorine binding site 5 out of 9 in the Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA)


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 C-Terminal Domain of Protein MJ0236 (Y236_METJA) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5 b:50.1 occ:1.00 OG B:SER312 2.9 38.0 1.0 NH2 B:ARG292 3.2 51.9 1.0 ND2 B:ASN272 3.2 24.1 1.0 NE B:ARG292 3.4 47.5 1.0 CB B:SER312 3.6 37.1 1.0 CZ B:ARG292 3.7 50.0 1.0 CB B:ASN272 3.9 25.8 1.0 O B:HOH433 4.0 29.8 1.0 CG B:ASN272 4.1 26.4 1.0 CB B:HIS314 4.3 31.5 1.0 CG1 B:ILE315 4.3 32.2 1.0 CE A:LYS297 4.4 57.3 1.0 CA B:SER312 4.5 35.8 1.0 CD B:ARG292 4.6 43.1 1.0 CG B:ARG292 4.7 37.2 1.0 CD2 B:HIS314 4.9 34.9 1.0 N B:ILE315 4.9 28.7 1.0 CG B:HIS314 4.9 33.9 1.0

Chlorine binding site 6 out of 9 in the Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl9 b:46.8 occ:1.00 OG B:SER364 3.0 49.6 1.0 O B:HOH495 3.2 43.0 1.0 N B:MSE366 3.2 39.0 1.0 CG B:MSE366 3.5 44.0 1.0 CB B:MSE366 3.5 42.0 1.0 N B:THR365 3.7 39.8 1.0 CD B:LYS317 3.7 39.3 1.0 CA B:MSE366 4.0 39.9 1.0 CE B:LYS317 4.0 43.8 1.0 C B:SER364 4.1 43.5 1.0 CB B:SER364 4.1 46.6 1.0 CB B:THR365 4.1 38.1 1.0 C B:THR365 4.2 39.4 1.0 CA B:THR365 4.2 39.0 1.0 CA B:SER364 4.3 45.4 1.0 O B:HOH472 4.5 45.1 1.0 OG1 B:THR365 4.6 38.7 1.0 O B:HOH465 4.7 41.9 1.0 O B:HOH441 4.8 31.8 1.0 ND1 B:HIS314 4.8 33.6 1.0 O B:SER364 4.9 43.0 1.0 N B:GLU367 5.0 39.2 1.0

Chlorine binding site 7 out of 9 in the Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl4 b:54.5 occ:1.00 NE2 D:HIS314 2.9 45.9 1.0 O D:HOH484 3.1 47.2 1.0 NE D:ARG397 3.2 42.7 1.0 NH2 D:ARG397 3.6 43.7 1.0 CD2 D:HIS314 3.7 46.1 1.0 CZ D:ARG397 3.7 43.6 1.0 CB D:ASN334 3.7 37.0 1.0 CG D:MSE395 3.8 50.4 1.0 CE1 D:HIS314 4.0 45.2 1.0 CD D:ARG397 4.1 41.4 1.0 CG D:ASN334 4.2 37.7 1.0 CG D:ARG397 4.2 39.2 1.0 ND2 D:ASN334 4.4 35.3 1.0 SE D:MSE366 4.4 65.3 1.0 CD1 D:ILE318 4.5 41.6 1.0 CB D:MSE395 4.5 47.5 1.0 CE D:MSE395 4.5 51.5 1.0 CD1 D:ILE315 4.7 43.2 1.0 NH1 D:ARG397 4.8 42.7 1.0 OD1 D:ASN334 4.8 35.8 1.0 SE D:MSE395 4.9 53.8 1.0 CG D:HIS314 4.9 45.4 1.0

Chlorine binding site 8 out of 9 in the Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA) within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl3 b:48.3 occ:1.00 O E:HOH505 2.7 48.2 1.0 NE2 E:HIS314 3.0 42.7 1.0 NE E:ARG397 3.3 34.1 1.0 CD2 E:HIS314 3.6 43.2 1.0 NH2 E:ARG397 3.7 33.6 1.0 CG E:MSE395 3.8 39.2 1.0 CB E:ASN334 3.8 27.9 1.0 CZ E:ARG397 3.9 35.0 1.0 CE1 E:HIS314 4.2 42.0 1.0 CD E:ARG397 4.2 32.3 1.0 CG E:ASN334 4.3 32.7 1.0 SE E:MSE366 4.4 60.1 1.0 ND2 E:ASN334 4.4 31.8 1.0 CG E:ARG397 4.4 31.2 1.0 CB E:MSE395 4.5 38.2 1.0 CE E:MSE395 4.5 36.9 1.0 CD1 E:ILE318 4.5 36.1 1.0 SE E:MSE395 4.8 45.5 1.0 CG E:HIS314 4.9 42.1 1.0

Chlorine binding site 9 out of 9 in the Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA) within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl7 b:64.8 occ:1.00 O D:HOH476 2.6 49.4 1.0 OG E:SER312 2.9 48.2 1.0 NH2 E:ARG292 3.0 54.4 1.0 NE E:ARG292 3.0 52.5 1.0 ND2 E:ASN272 3.1 27.9 1.0 CZ E:ARG292 3.3 54.1 1.0 CB E:ASN272 3.6 26.0 1.0 CB E:SER312 3.7 47.0 1.0 CG E:ASN272 3.8 28.6 1.0 CD E:ARG292 4.2 45.4 1.0 CG1 E:ILE315 4.3 39.5 1.0 CB E:HIS314 4.4 41.3 1.0 O E:HOH446 4.4 32.2 1.0 CE D:LYS297 4.5 54.0 1.0 CD1 E:ILE315 4.5 41.0 1.0 NH1 E:ARG292 4.6 52.9 1.0 CA E:SER312 4.6 46.6 1.0 NZ D:LYS297 4.7 57.2 1.0 N E:ILE315 4.9 39.1 1.0 OD1 E:ASN272 5.0 27.4 1.0

S.Eswaramoorthy, S.K.Burley, S.Swaminathan. Crystal Structure of the C-Terminal Domain of Protein MJ0236 (Y236_METJA) To Be Published.