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Chlorine in PDB 2pa0: Crystal Structure of TTHB049 From Thermus Thermophilus HB8

Enzymatic activity of Crystal Structure of TTHB049 From Thermus Thermophilus HB8

All present enzymatic activity of Crystal Structure of TTHB049 From Thermus Thermophilus HB8:
3.1.3.73;

Protein crystallography data

The structure of Crystal Structure of TTHB049 From Thermus Thermophilus HB8, PDB code: 2pa0 was solved by M.Sugahara, Y.Tanaka, Y.Matsuura, T.Nakamoto, N.Kunishima, Rikenstructural Genomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.63 / 2.30
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 83.835, 91.808, 112.143, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 22.5

Other elements in 2pa0:

The structure of Crystal Structure of TTHB049 From Thermus Thermophilus HB8 also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of TTHB049 From Thermus Thermophilus HB8 (pdb code 2pa0). 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 TTHB049 From Thermus Thermophilus HB8, PDB code: 2pa0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2pa0

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Chlorine binding site 1 out of 5 in the Crystal Structure of TTHB049 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 TTHB049 From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl3001

b:27.6
occ:1.00
 NH1 A:ARG67 3.3 26.4 1.0
O A:HOH3042 3.5 25.4 1.0
NH2 A:ARG67 4.0 24.5 1.0
CZ A:ARG67 4.1 24.4 1.0

Chlorine binding site 2 out of 5 in 2pa0

Go back to Chlorine Binding Sites List in 2pa0
Chlorine binding site 2 out of 5 in the Crystal Structure of TTHB049 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 TTHB049 From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl3002

b:23.9
occ:1.00
 O A:HOH3020 3.1 16.1 1.0
N A:GLU2 3.3 13.9 1.0
O A:HOH3059 3.4 31.0 1.0
CB A:GLU2 3.8 13.4 1.0
CG A:PRO127 3.9 17.4 1.0
CA A:MET1 3.9 14.0 1.0
C A:MET1 4.1 14.2 1.0
CA A:GLU2 4.1 14.8 1.0
CG A:MET1 4.2 17.7 1.0
O A:HOH3090 4.6 40.1 1.0
CB A:MET1 4.7 15.8 1.0
CD A:PRO127 4.8 16.2 1.0
OE1 A:GLU2 4.9 20.2 1.0

Chlorine binding site 3 out of 5 in 2pa0

Go back to Chlorine Binding Sites List in 2pa0
Chlorine binding site 3 out of 5 in the Crystal Structure of TTHB049 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 TTHB049 From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl3003

b:22.0
occ:1.00
 O2 A:GOL1003 2.8 44.7 1.0
OG A:SER111 3.2 21.6 1.0
N A:PHE102 3.3 16.1 1.0
N A:SER111 3.4 16.6 1.0
O3 B:GOL1004 3.4 29.4 1.0
CA A:GLY101 3.4 14.9 1.0
N A:GLY101 3.6 16.9 1.0
N A:LEU110 3.6 16.0 1.0
CB A:LEU110 3.7 19.8 1.0
C3 B:GOL1004 3.7 27.9 1.0
NE2 A:HIS103 3.7 24.8 1.0
CE1 A:HIS103 3.8 24.2 1.0
O A:PHE102 3.8 17.5 1.0
C A:GLY101 3.8 14.9 1.0
O3 A:GOL1003 3.8 44.2 1.0
CB A:SER111 3.9 17.0 1.0
C2 A:GOL1003 4.0 43.7 1.0
CA A:LEU110 4.0 16.6 1.0
C A:LEU110 4.1 17.4 1.0
CB A:SER109 4.2 15.6 1.0
CA A:SER111 4.2 17.0 1.0
C A:PHE102 4.3 17.0 1.0
CA A:PHE102 4.3 16.5 1.0
C3 A:GOL1003 4.4 43.9 1.0
C A:SER109 4.4 16.1 1.0
CD2 A:HIS103 4.5 22.3 1.0
ND1 A:HIS103 4.5 23.1 1.0
OG A:SER109 4.6 19.0 1.0
C A:GLN100 4.6 17.2 1.0
CA A:SER109 4.7 16.0 1.0
CG A:HIS103 4.9 23.4 1.0
CB A:PHE102 4.9 17.0 1.0
C2 B:GOL1004 4.9 28.8 1.0
CG A:LEU110 4.9 22.6 1.0
O A:GLY101 5.0 13.8 1.0

Chlorine binding site 4 out of 5 in 2pa0

Go back to Chlorine Binding Sites List in 2pa0
Chlorine binding site 4 out of 5 in the Crystal Structure of TTHB049 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 TTHB049 From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl3005

b:25.4
occ:1.00
 N B:MET1 3.0 11.9 1.0
NH1 A:ARG162 3.4 24.2 1.0
CG A:ARG162 3.6 20.2 1.0
CA B:MET1 3.8 13.1 1.0
O A:HOH3089 3.9 49.4 1.0
CB B:MET1 4.0 12.1 1.0
CD A:ARG162 4.0 21.9 1.0
CG A:PRO161 4.0 12.8 1.0
CD A:PRO161 4.1 13.0 1.0
O B:HOH3083 4.1 38.8 1.0
O B:TRP160 4.3 16.3 1.0
CZ A:ARG162 4.5 24.6 1.0
NE A:ARG162 4.7 23.7 1.0
OD1 B:ASP159 4.8 16.9 1.0
NH2 B:ARG162 4.9 26.6 1.0
O A:PRO161 5.0 13.2 1.0

Chlorine binding site 5 out of 5 in 2pa0

Go back to Chlorine Binding Sites List in 2pa0
Chlorine binding site 5 out of 5 in the Crystal Structure of TTHB049 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 TTHB049 From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl3004

b:24.9
occ:1.00
 N B:MET27 3.0 17.0 1.0
CD B:ARG57 3.5 30.7 1.0
CA B:PRO26 3.6 17.8 1.0
CG B:LEU53 3.7 17.7 1.0
C B:PRO26 3.8 17.6 1.0
CB B:PRO26 3.9 18.2 1.0
CB B:ARG57 3.9 21.8 1.0
CB B:MET27 3.9 16.6 1.0
CD2 B:LEU53 4.0 16.4 1.0
NE B:ARG57 4.0 33.7 1.0
CE B:MET27 4.0 13.7 1.0
CA B:MET27 4.0 18.1 1.0
CG B:MET27 4.1 17.4 1.0
CG B:ARG57 4.1 27.7 1.0
CA B:ARG54 4.2 14.4 1.0
O B:LEU53 4.2 14.8 1.0
CD1 B:LEU53 4.3 16.9 1.0
N B:ARG54 4.4 14.3 1.0
C B:LEU53 4.4 14.7 1.0
O B:MET27 4.8 17.6 1.0
CB B:ARG54 4.9 16.9 1.0
CB B:LEU53 4.9 15.6 1.0
C B:MET27 4.9 18.1 1.0
SD B:MET27 5.0 16.8 1.0
N B:PRO26 5.0 17.7 1.0
O B:PRO26 5.0 17.4 1.0

Reference:

M.Sugahara, Y.Tanaka, Y.Matsuura, T.Nakamoto, N.Kunishima. Crystal Structure of TTHB049 From Thermus Thermophilus HB8 To Be Published.
Page generated: Sat Jul 20 10:03:33 2024

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