Chlorine in PDB 5t2t: Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001

Enzymatic activity of Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001

All present enzymatic activity of Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001:
2.7.7.48;

Protein crystallography data

The structure of Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001, PDB code: 5t2t was solved by M.Saez-Ayala, E.L.Yekwa, B.Canard, K.Alvarez, F.Ferron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.06 / 1.97
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 108.116, 108.116, 54.087, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 22.1

Other elements in 5t2t:

The structure of Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001 also contains other interesting chemical elements:

Manganese (Mn) 2 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001 (pdb code 5t2t). 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 Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001, PDB code: 5t2t:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5t2t

Go back to Chlorine Binding Sites List in 5t2t
Chlorine binding site 1 out of 3 in the Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001


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 Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:33.4
occ:1.00
CL2 A:0N8203 0.0 33.4 1.0
C19 A:0N8203 1.8 30.5 1.0
C18 A:0N8203 2.7 28.8 1.0
C20 A:0N8203 2.7 27.5 1.0
H1 A:0N8203 2.8 34.6 1.0
H3 A:0N8203 2.8 33.0 1.0
NE A:ARG47 3.4 29.3 1.0
O A:LYS43 3.4 27.4 1.0
CD A:ARG47 3.5 29.1 1.0
CZ A:ARG47 3.7 43.6 1.0
CB A:LYS43 3.7 29.3 1.0
CA A:LYS43 3.8 27.8 1.0
CB A:SER46 3.8 23.9 0.5
OE2 A:GLU50 3.8 25.4 1.0
CB A:SER46 3.8 23.8 0.5
NH1 A:ARG47 3.9 31.5 1.0
OG A:SER46 3.9 24.6 0.5
CG A:LYS43 3.9 30.7 1.0
CG A:ARG47 3.9 22.6 1.0
C21 A:0N8203 4.0 27.9 1.0
O A:HOH360 4.0 26.4 1.0
C17 A:0N8203 4.0 34.9 1.0
C A:LYS43 4.0 26.1 1.0
N A:ARG47 4.4 21.6 1.0
NH2 A:ARG47 4.4 31.0 1.0
CD A:GLU50 4.5 28.6 1.0
C16 A:0N8203 4.5 33.7 1.0
CE A:LYS43 4.5 42.2 1.0
OE1 A:GLU50 4.6 27.6 1.0
OG A:SER46 4.7 23.7 0.5
C A:SER46 4.7 26.8 1.0
CD A:LYS43 4.8 33.1 1.0
H4 A:0N8203 4.8 33.4 1.0
H2 A:0N8203 4.8 41.9 1.0
CA A:SER46 4.8 23.8 0.5
CA A:SER46 4.8 23.8 0.5
CA A:ARG47 4.9 21.2 1.0
CB A:ARG47 5.0 26.0 1.0

Chlorine binding site 2 out of 3 in 5t2t

Go back to Chlorine Binding Sites List in 5t2t
Chlorine binding site 2 out of 3 in the Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001


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 Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:81.9
occ:1.00
NA B:NA204 2.6 76.3 1.0
CE B:LYS91 3.4 64.0 1.0
CD B:LYS91 3.6 53.6 1.0
O B:HOH383 3.8 57.4 1.0
NZ B:LYS91 3.8 75.6 1.0
O B:GLY58 3.8 38.8 1.0
O B:HOH318 3.9 39.6 1.0
C B:GLY58 4.4 31.1 1.0
O B:CYS59 4.5 33.9 1.0
C B:CYS59 4.5 35.4 1.0
OG1 B:THR60 4.5 30.1 1.0
O B:HOH327 4.7 36.0 1.0
N B:THR60 4.8 34.6 1.0
N B:CYS59 4.8 28.4 1.0
CA B:CYS59 4.9 29.9 1.0
O B:HOH394 5.0 47.4 1.0

Chlorine binding site 3 out of 3 in 5t2t

Go back to Chlorine Binding Sites List in 5t2t
Chlorine binding site 3 out of 3 in the Crystal Structure of Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001


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 Lymphocytic Choriomeningitis Mammarenavirus Endonuclease Bound to Compound L742001 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:83.8
occ:1.00
NA B:NA205 2.5 81.7 1.0
OE2 B:GLU153 3.7 66.3 1.0
O B:HOH302 3.9 52.2 1.0
CD1 B:PHE157 4.0 26.8 1.0
CG B:PHE157 4.1 25.3 1.0
CE1 B:PHE157 4.3 33.8 1.0
O B:HOH398 4.4 56.1 1.0
CB B:PHE157 4.5 22.7 1.0
CD2 B:PHE157 4.5 27.4 1.0
O B:HOH393 4.5 47.1 1.0
CD B:GLU153 4.6 57.4 1.0
OE1 B:GLU153 4.7 60.3 1.0
CZ B:PHE157 4.7 40.0 1.0
CE2 B:PHE157 4.8 36.9 1.0

Reference:

M.Saez-Ayala, E.L.Yekwa, M.Carcelli, B.Canard, K.Alvarez, F.Ferron. Crystal Structures Oflymphocytic Choriomeningitis Virusendonuclease Domain Complexed with Diketo-Acid Ligands. Iucrj V. 5 223 2018.
ISSN: ESSN 2052-2525
PubMed: 29765612
DOI: 10.1107/S2052252518001021
Page generated: Sat Dec 12 12:27:32 2020

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