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

Go back to Chlorine Binding Sites List in 6s2v
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: Sat Dec 12 13:38:19 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy