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Chlorine in PDB 1v8f: Crystal Structure of Pantoate-Beta-Alanine (Pantothenate Synthetase) From Thermus Thermophilus HB8

Enzymatic activity of Crystal Structure of Pantoate-Beta-Alanine (Pantothenate Synthetase) From Thermus Thermophilus HB8

All present enzymatic activity of Crystal Structure of Pantoate-Beta-Alanine (Pantothenate Synthetase) From Thermus Thermophilus HB8:
6.3.2.1;

Protein crystallography data

The structure of Crystal Structure of Pantoate-Beta-Alanine (Pantothenate Synthetase) From Thermus Thermophilus HB8, PDB code: 1v8f was solved by B.Bagautdinov, T.H.Tahirov, Riken Structural Genomics/Proteomicsinitiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.90
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 88.514, 88.514, 266.720, 90.00, 90.00, 120.00
R / Rfree (%) 20.5 / 25.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Pantoate-Beta-Alanine (Pantothenate Synthetase) From Thermus Thermophilus HB8 (pdb code 1v8f). 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 Pantoate-Beta-Alanine (Pantothenate Synthetase) From Thermus Thermophilus HB8, PDB code: 1v8f:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 1v8f

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Chlorine binding site 1 out of 5 in the Crystal Structure of Pantoate-Beta-Alanine (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 Pantoate-Beta-Alanine (Pantothenate Synthetase) From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1301

b:27.3
occ:1.00
 NH2 A:ARG117 3.3 19.9 1.0
NH2 A:ARG183 3.3 22.8 1.0
NE2 A:GLN56 3.3 20.7 1.0
NH1 A:ARG117 3.4 17.1 1.0
O A:HOH1752 3.4 48.4 1.0
NH1 A:ARG183 3.5 25.6 1.0
CE1 A:HIS120 3.6 21.9 1.0
CE A:MET25 3.6 23.3 1.0
CZ A:ARG117 3.8 19.8 1.0
CZ A:ARG183 3.9 26.8 1.0
CG A:GLN56 4.1 23.0 1.0
CD A:GLN56 4.2 22.1 1.0
ND1 A:HIS120 4.3 21.8 1.0
O A:GLN56 4.4 23.1 1.0
O2 A:1441501 4.5 57.8 1.0
CZ A:PHE57 4.5 20.5 1.0
NE2 A:HIS120 4.5 20.0 1.0
CE1 A:PHE57 4.7 23.1 1.0
CE2 A:PHE57 4.7 21.8 1.0
SD A:MET25 4.8 24.7 1.0
CB A:GLN56 5.0 20.7 1.0

Chlorine binding site 2 out of 5 in 1v8f

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Chlorine binding site 2 out of 5 in the Crystal Structure of Pantoate-Beta-Alanine (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 Pantoate-Beta-Alanine (Pantothenate Synthetase) From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1303

b:36.6
occ:1.00
 N A:GLY60 3.0 25.0 1.0
O A:HOH1823 3.4 49.7 1.0
CD A:PRO59 3.5 26.7 1.0
N A:PRO59 3.5 25.2 1.0
C A:GLY58 3.6 24.4 1.0
CA A:GLY60 3.6 25.9 1.0
CA A:GLY58 3.7 24.2 1.0
CG A:PRO59 3.7 28.6 1.0
C A:PRO59 4.0 28.1 1.0
C A:GLY60 4.1 24.3 1.0
N A:GLU61 4.1 23.4 1.0
CG A:GLU61 4.1 22.8 1.0
CA A:PRO59 4.2 27.5 1.0
O A:GLY58 4.2 23.5 1.0
O A:HOH1724 4.6 57.9 1.0
O A:HOH1762 4.6 48.7 1.0
CB A:PRO59 4.7 26.3 1.0
CD A:GLU61 4.7 23.8 1.0
N A:GLY58 4.7 21.4 1.0
O A:GLY60 4.9 25.7 1.0
OE1 A:GLU61 5.0 25.3 1.0
CB A:GLU61 5.0 24.0 1.0

Chlorine binding site 3 out of 5 in 1v8f

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Chlorine binding site 3 out of 5 in the Crystal Structure of Pantoate-Beta-Alanine (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 Pantoate-Beta-Alanine (Pantothenate Synthetase) From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1305

b:43.7
occ:1.00
 O A:HOH1966 3.1 56.7 1.0
O A:HOH1630 3.1 26.6 1.0
N A:MET25 3.2 21.7 1.0
NE2 A:HIS32 3.3 26.6 1.0
O4 A:1441501 3.5 54.6 1.0
CA A:THR24 3.7 22.8 1.0
CB A:THR24 3.9 24.2 1.0
C A:THR24 3.9 23.1 1.0
CD2 A:HIS32 4.0 27.4 1.0
O A:HOH1905 4.1 29.6 1.0
CB A:MET25 4.1 19.7 1.0
CA A:MET25 4.2 21.9 1.0
O A:HOH1725 4.3 45.1 1.0
CE1 A:HIS32 4.3 26.2 1.0
CG A:MET25 4.3 22.7 1.0
C4 A:1441501 4.5 52.3 1.0
OH A:TYR66 4.6 24.6 1.0
CG2 A:THR24 4.8 22.3 1.0
C A:MET25 4.8 22.5 1.0
N A:GLY26 4.8 22.8 1.0
O2 A:1441501 4.9 57.8 1.0
O A:HOH1813 4.9 40.7 1.0
O A:PRO23 4.9 24.9 1.0
OG1 A:THR24 5.0 25.1 1.0

Chlorine binding site 4 out of 5 in 1v8f

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Chlorine binding site 4 out of 5 in the Crystal Structure of Pantoate-Beta-Alanine (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 4 of Crystal Structure of Pantoate-Beta-Alanine (Pantothenate Synthetase) From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1302

b:35.8
occ:1.00
 O B:HOH1613 3.0 45.3 1.0
NH2 B:ARG117 3.3 26.3 1.0
NH1 B:ARG117 3.3 28.1 1.0
NH1 B:ARG183 3.3 39.4 1.0
NE2 B:GLN56 3.3 27.2 1.0
NH2 B:ARG183 3.5 39.0 1.0
CE1 B:HIS120 3.6 29.6 1.0
CE B:MET25 3.7 33.7 1.0
CZ B:ARG117 3.7 27.6 1.0
CZ B:ARG183 3.8 41.9 1.0
CG B:GLN56 4.2 28.5 1.0
CD B:GLN56 4.2 27.0 1.0
ND1 B:HIS120 4.2 29.1 1.0
O B:GLN56 4.4 28.0 1.0
CZ B:PHE57 4.5 35.2 1.0
NE2 B:HIS120 4.5 29.7 1.0
CE2 B:PHE57 4.7 34.1 1.0
CE1 B:PHE57 4.7 34.1 1.0
CB B:GLN56 5.0 27.9 1.0
SD B:MET25 5.0 36.8 1.0

Chlorine binding site 5 out of 5 in 1v8f

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Chlorine binding site 5 out of 5 in the Crystal Structure of Pantoate-Beta-Alanine (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 5 of Crystal Structure of Pantoate-Beta-Alanine (Pantothenate Synthetase) From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1304

b:60.8
occ:1.00
 NE2 B:HIS32 3.3 43.2 1.0
O B:HOH1588 3.4 34.8 1.0
N B:MET25 3.6 32.9 1.0
O1 B:GOL1401 3.7 50.0 1.0
O B:HOH1628 3.9 55.8 1.0
CA B:THR24 4.0 30.2 1.0
CD2 B:HIS32 4.0 42.2 1.0
O B:HOH1563 4.1 39.5 1.0
CB B:THR24 4.3 29.8 1.0
C B:THR24 4.3 28.7 1.0
CE1 B:HIS32 4.3 42.6 1.0
CB B:MET25 4.4 33.5 1.0
CG B:MET25 4.5 35.8 1.0
O B:HOH1679 4.5 65.5 1.0
CA B:MET25 4.5 33.5 1.0
OH B:TYR66 4.7 43.3 1.0
O B:PRO23 5.0 32.3 1.0

Reference:

B.Bagautdinov, T.H.Tahirov. Crystal Structure of Pantothenate Synthetase From Thermus Thermophilus HB8 To Be Published.
Page generated: Thu Jul 10 19:50:59 2025

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