Chlorine in PDB 1ufv: Crystal Structure of Pantothenate Synthetase From Thermus Thermophilus HB8

All present enzymatic activity of Crystal Structure of Pantothenate Synthetase From Thermus Thermophilus HB8:
6.3.2.1;

The structure of Crystal Structure of Pantothenate Synthetase From Thermus Thermophilus HB8, PDB code: 1ufv was solved by B.Bagautdinov, S.Kuramitsu, S.Yokoyama, M.Miyano, T.H.Tahirov, Rikenstructural Genomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.05
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	88.558, 88.558, 266.974, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 24.6

The binding sites of Chlorine atom in the Crystal Structure of Pantothenate Synthetase From Thermus Thermophilus HB8 (pdb code 1ufv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Pantothenate Synthetase From Thermus Thermophilus HB8, PDB code: 1ufv:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Pantothenate Synthetase From Thermus Thermophilus HB8


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 Pantothenate Synthetase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:33.3 occ:1.00 NE2 A:GLN56 3.2 22.3 1.0 NH2 A:ARG117 3.3 23.1 1.0 NH1 A:ARG117 3.3 21.0 1.0 NH1 A:ARG183 3.3 27.6 1.0 O A:HOH1567 3.4 43.0 1.0 NH2 A:ARG183 3.5 29.9 1.0 CE1 A:HIS120 3.6 26.9 1.0 CZ A:ARG117 3.7 23.6 1.0 CE A:MSE25 3.8 25.4 1.0 CZ A:ARG183 3.9 31.1 1.0 CG A:GLN56 4.0 23.3 1.0 CD A:GLN56 4.1 23.8 1.0 ND1 A:HIS120 4.1 25.8 1.0 O A:GLN56 4.4 27.6 1.0 CZ A:PHE57 4.5 25.9 1.0 CE2 A:PHE57 4.6 26.5 1.0 CE1 A:PHE57 4.7 27.1 1.0 NE2 A:HIS120 4.7 24.6 1.0 SE A:MSE25 4.8 31.8 1.0 CB A:GLN56 4.9 23.5 1.0 O A:HOH1639 4.9 67.0 1.0 CD2 A:PHE57 5.0 26.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Pantothenate Synthetase From Thermus Thermophilus HB8


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 Pantothenate Synthetase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:56.4 occ:1.00 O A:HOH1534 3.4 44.0 1.0 C1 A:GOL1300 3.4 59.3 1.0 N A:SER182 3.6 29.9 1.0 NE2 A:HIS29 3.7 36.4 1.0 NE2 A:HIS32 3.8 32.2 1.0 OG A:SER182 3.9 32.2 1.0 O A:HOH1676 3.9 52.1 1.0 CA A:SER181 3.9 33.2 1.0 O A:HOH1431 3.9 33.0 1.0 CE1 A:HIS32 3.9 30.3 1.0 OG A:SER181 4.0 38.9 1.0 O A:HOH1639 4.2 67.0 1.0 O1 A:GOL1300 4.3 56.5 1.0 C A:SER181 4.3 31.4 1.0 CB A:SER182 4.3 33.2 1.0 CB A:SER181 4.4 34.9 1.0 CD2 A:HIS29 4.5 32.6 1.0 C3 A:GOL1300 4.5 61.8 1.0 C2 A:GOL1300 4.5 60.6 1.0 CA A:SER182 4.6 30.7 1.0 CE1 A:HIS29 4.7 35.5 1.0 OH A:TYR66 4.8 30.1 1.0 O A:LEU180 4.9 28.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Pantothenate Synthetase From Thermus Thermophilus HB8


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 Pantothenate Synthetase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1003 b:47.6 occ:1.00 NH2 B:ARG117 3.0 35.5 1.0 NH1 B:ARG183 3.1 47.0 1.0 NE2 B:GLN56 3.3 32.5 1.0 NH1 B:ARG117 3.3 33.5 1.0 NH2 B:ARG183 3.6 46.4 1.0 CZ B:ARG117 3.6 35.7 1.0 CE B:MSE25 3.7 43.0 1.0 CE1 B:HIS120 3.7 36.2 1.0 CZ B:ARG183 3.8 47.5 1.0 CG B:GLN56 4.1 34.2 1.0 CD B:GLN56 4.2 34.7 1.0 ND1 B:HIS120 4.2 35.8 1.0 O B:GLN56 4.3 35.7 1.0 CZ B:PHE57 4.4 42.1 1.0 CE2 B:PHE57 4.6 41.1 1.0 CE1 B:PHE57 4.6 43.0 1.0 NE2 B:HIS120 4.8 36.0 1.0 CB B:GLN56 4.9 35.5 1.0 NE B:ARG117 4.9 34.1 1.0 SE B:MSE25 5.0 46.7 1.0

B.Bagautdinov, S.Kuramitsu, S.Yokoyama, M.Miyano, T.H.Tahirov. Crystal Structure of Pantothenate Synthetase From Thermus Thermophilus HB8 To Be Published.