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Chlorine in PDB 6s2v: Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel

Enzymatic activity of Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel

All present enzymatic activity of Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel:
2.7.6.5;

Protein crystallography data

The structure of Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel, PDB code: 6s2v was solved by A.Garcia-Pino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.77 / 2.96
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 105.737, 105.737, 241.455, 90.00, 90.00, 90.00
R / Rfree (%) 22.1 / 27.5

Other elements in 6s2v:

The structure of Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel also contains other interesting chemical elements:

Manganese (Mn) 3 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel (pdb code 6s2v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel, PDB code: 6s2v:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6s2v

Go back to Chlorine Binding Sites List in 6s2v
Chlorine binding site 1 out of 6 in the Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:95.8
occ:1.00
 O A:GLN238 2.9 70.2 1.0
O A:LEU241 3.0 73.2 1.0
NZ A:LYS283 3.0 78.5 1.0
C A:GLN238 4.0 69.8 1.0
C A:LEU241 4.1 73.1 1.0
NE2 A:GLN238 4.2 74.8 1.0
CE A:LYS283 4.3 75.5 1.0
CB A:GLN238 4.5 65.5 1.0
CA A:GLN238 4.5 64.3 1.0
O A:GLN242 4.6 73.4 1.0
CA A:GLN242 4.7 69.5 1.0
C A:GLN242 4.7 73.8 1.0
N A:GLN242 4.8 69.6 1.0

Chlorine binding site 2 out of 6 in 6s2v

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Chlorine binding site 2 out of 6 in the Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:0.3
occ:1.00
 ND2 B:ASN150 3.0 0.2 1.0
NE B:ARG147 3.3 0.9 1.0
CA B:ARG147 3.6 0.0 1.0
CB B:ARG147 3.9 0.4 1.0
N B:ARG147 3.9 0.1 1.0
OD2 B:ASP146 3.9 0.8 1.0
CD B:ARG147 4.0 0.7 1.0
CG B:ASP146 4.2 0.3 1.0
OH B:TYR173 4.2 0.8 1.0
CZ B:ARG147 4.2 0.9 1.0
CG B:ASN150 4.3 0.7 1.0
NH2 B:ARG147 4.3 0.2 1.0
C B:ASP146 4.3 0.3 1.0
O B:ASP146 4.4 0.8 1.0
OD1 B:ASP146 4.4 0.8 1.0
CG B:ARG147 4.5 0.1 1.0
O B:LYS143 4.7 0.1 1.0
CZ B:TYR173 4.8 0.8 1.0
CB B:ASN150 4.8 0.7 1.0
CB B:ASP146 4.8 0.8 1.0
C B:ARG147 5.0 0.1 1.0

Chlorine binding site 3 out of 6 in 6s2v

Go back to Chlorine Binding Sites List in 6s2v
Chlorine binding site 3 out of 6 in the Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:51.9
occ:1.00
 CB C:ALA4 3.5 85.4 1.0
N C:ALA4 4.0 86.8 1.0
C C:GLY3 4.3 94.7 1.0
CA C:ALA4 4.3 85.1 1.0
CD C:ARG39 4.6 77.9 1.0
O C:GLY3 4.8 95.8 1.0
CA C:GLY3 4.8 93.5 1.0

Chlorine binding site 4 out of 6 in 6s2v

Go back to Chlorine Binding Sites List in 6s2v
Chlorine binding site 4 out of 6 in the Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:67.4
occ:1.00
 N C:GLN184 3.4 72.4 1.0
C C:MET182 3.4 74.3 1.0
N C:GLY183 3.5 71.7 1.0
N C:LEU185 3.5 71.5 1.0
CA C:MET182 3.6 69.1 1.0
CB C:MET182 3.7 71.1 1.0
O C:MET182 3.9 74.1 1.0
CB C:GLN184 4.0 74.6 1.0
CA C:GLN184 4.0 72.7 1.0
C C:GLY183 4.1 75.8 1.0
CB C:LEU185 4.1 70.2 1.0
CG C:GLN184 4.2 0.4 1.0
CA C:GLY183 4.2 71.9 1.0
C C:GLN184 4.2 76.6 1.0
CA C:LEU185 4.4 70.6 1.0
CD1 C:LEU63 4.7 71.8 1.0
CG C:MET182 4.8 74.7 1.0
O C:HOH516 4.8 65.3 1.0
N C:MET182 5.0 69.5 1.0

Chlorine binding site 5 out of 6 in 6s2v

Go back to Chlorine Binding Sites List in 6s2v
Chlorine binding site 5 out of 6 in the Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl404

b:64.4
occ:1.00
 NE2 C:HIS178 3.1 82.3 1.0
O C:HOH521 3.2 47.0 1.0
CG C:PRO326 3.3 73.5 1.0
CE1 C:HIS178 3.5 82.1 1.0
CD C:PRO326 3.5 69.2 1.0
CG C:ASN327 3.6 84.9 1.0
N C:ASN327 3.6 66.8 1.0
ND2 C:ASN327 3.7 73.1 1.0
CB C:ASN327 3.8 67.4 1.0
N C:PRO326 4.0 67.7 1.0
OD1 C:ASN327 4.0 78.4 1.0
CD2 C:HIS178 4.1 82.3 1.0
CB C:PRO326 4.2 68.7 1.0
CB C:LYS325 4.3 65.6 1.0
CA C:ASN327 4.4 66.5 1.0
CA C:PRO326 4.5 66.9 1.0
ND1 C:HIS178 4.5 82.4 1.0
C C:PRO326 4.5 70.8 1.0
CD C:LYS325 4.6 87.5 1.0
C C:LYS325 4.7 71.0 1.0
CG C:HIS178 4.9 79.7 1.0
CG C:LYS325 5.0 74.1 1.0

Chlorine binding site 6 out of 6 in 6s2v

Go back to Chlorine Binding Sites List in 6s2v
Chlorine binding site 6 out of 6 in the Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the N-Terminal Catalytic Region of T. Thermophilus Rel within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl405

b:57.7
occ:1.00
 OD2 C:ASP146 2.9 89.3 1.0
NH1 C:ARG147 3.0 72.1 1.0
ND2 C:ASN150 3.1 87.8 1.0
CG C:ASP146 3.6 82.9 1.0
O C:HOH514 3.8 53.6 1.0
CA C:ARG147 3.9 59.7 1.0
N C:ARG147 3.9 61.2 1.0
OD1 C:ASP146 4.1 84.7 1.0
CZ C:ARG147 4.2 87.7 1.0
CG C:ASN150 4.2 95.8 1.0
C C:ASP146 4.2 66.2 1.0
CD C:ARG147 4.3 66.7 1.0
CB C:ASP146 4.4 66.8 1.0
CB C:ARG147 4.4 57.2 1.0
O C:ASP146 4.5 65.2 1.0
CB C:ASN150 4.6 72.6 1.0
NE C:ARG147 4.6 68.2 1.0
O C:LYS143 4.8 58.5 1.0
CG C:ARG147 4.9 62.7 1.0
CA C:ASP146 5.0 64.5 1.0

Reference:

H.Tamman, K.Van Nerom, H.Takada, N.Vandenberk, D.Scholl, Y.Polikanov, J.Hofkens, A.Talavera, V.Hauryliuk, J.Hendrix, A.Garcia-Pino. A Nucleotide-Switch Mechanism Mediates Opposing Catalytic Activities of Rel Enzymes. Nat.Chem.Biol. V. 16 834 2020.
ISSN: ESSN 1552-4469
PubMed: 32393900
DOI: 10.1038/S41589-020-0520-2
Page generated: Mon Jul 29 14:46:45 2024

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