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Chlorine in PDB 6t5a: Crystal Structure of Herpes Simplex Virus 1 PUL7:PUL51 Complex

Protein crystallography data

The structure of Crystal Structure of Herpes Simplex Virus 1 PUL7:PUL51 Complex, PDB code: 6t5a was solved by B.G.Butt, S.C.Graham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.57 / 1.83
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 79.510, 106.300, 106.010, 90.00, 92.05, 90.00
R / Rfree (%) 19.4 / 22

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Herpes Simplex Virus 1 PUL7:PUL51 Complex (pdb code 6t5a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Herpes Simplex Virus 1 PUL7:PUL51 Complex, PDB code: 6t5a:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6t5a

Go back to Chlorine Binding Sites List in 6t5a
Chlorine binding site 1 out of 4 in the Crystal Structure of Herpes Simplex Virus 1 PUL7:PUL51 Complex


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 Herpes Simplex Virus 1 PUL7:PUL51 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl401

b:49.4
occ:1.00
 NH2 E:ARG134 3.2 55.9 1.0
O C:HOH316 3.3 56.0 1.0
N E:VAL181 3.4 33.6 1.0
NH1 E:ARG134 3.4 63.3 1.0
C E:GLU179 3.4 45.3 1.0
N E:ARG182 3.4 36.0 1.0
CA E:GLU179 3.5 45.6 1.0
CB E:VAL181 3.7 35.6 1.0
CB E:GLU179 3.7 46.9 1.0
CZ E:ARG134 3.8 76.2 1.0
N E:ARG180 3.8 40.2 1.0
O E:GLU179 3.8 43.3 1.0
CA E:VAL181 3.9 33.1 1.0
CG E:ARG182 4.0 52.0 1.0
C E:VAL181 4.1 38.1 1.0
O E:HOH610 4.3 56.2 1.0
CB E:ARG182 4.3 35.1 1.0
C E:ARG180 4.4 38.7 1.0
CG2 E:VAL181 4.4 35.4 1.0
CA E:ARG182 4.5 35.7 1.0
CG E:GLU179 4.5 56.1 1.0
CA E:ARG180 4.6 39.0 1.0
O C:HOH340 4.7 52.8 1.0
CG1 E:VAL181 4.8 34.4 1.0
N E:GLU179 5.0 48.3 1.0

Chlorine binding site 2 out of 4 in 6t5a

Go back to Chlorine Binding Sites List in 6t5a
Chlorine binding site 2 out of 4 in the Crystal Structure of Herpes Simplex Virus 1 PUL7:PUL51 Complex


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 Herpes Simplex Virus 1 PUL7:PUL51 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl401

b:47.9
occ:1.00
 NH2 F:ARG134 3.1 58.4 1.0
O A:HOH323 3.4 59.3 1.0
NH1 F:ARG134 3.4 70.6 1.0
N F:ARG182 3.4 37.5 1.0
N F:VAL181 3.4 34.4 1.0
C F:GLU179 3.5 46.3 1.0
CA F:GLU179 3.6 49.3 1.0
CB F:VAL181 3.7 36.0 1.0
CZ F:ARG134 3.7 79.4 1.0
CB F:GLU179 3.8 51.0 1.0
O F:GLU179 3.8 43.9 1.0
CA F:VAL181 3.9 34.5 1.0
N F:ARG180 3.9 39.8 1.0
CG F:ARG182 4.0 53.1 1.0
C F:VAL181 4.1 38.8 1.0
CB F:ARG182 4.2 38.9 1.0
CG2 F:VAL181 4.4 35.5 1.0
C F:ARG180 4.4 38.3 1.0
CA F:ARG182 4.4 37.8 1.0
O F:HOH535 4.5 61.1 1.0
CG F:GLU179 4.5 60.6 1.0
CA F:ARG180 4.7 38.2 1.0
CG1 F:VAL181 4.8 34.7 1.0
NE F:ARG134 5.0 66.8 1.0

Chlorine binding site 3 out of 4 in 6t5a

Go back to Chlorine Binding Sites List in 6t5a
Chlorine binding site 3 out of 4 in the Crystal Structure of Herpes Simplex Virus 1 PUL7:PUL51 Complex


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 Herpes Simplex Virus 1 PUL7:PUL51 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl401

b:47.2
occ:1.00
 NH2 G:ARG134 3.1 53.1 1.0
O D:HOH331 3.2 56.4 1.0
NH1 G:ARG134 3.4 62.0 1.0
N G:ARG182 3.4 30.3 1.0
C G:GLU179 3.5 41.0 1.0
N G:VAL181 3.5 30.2 1.0
CA G:GLU179 3.5 41.8 1.0
CB G:GLU179 3.6 42.8 1.0
CZ G:ARG134 3.7 73.4 1.0
CB G:VAL181 3.7 31.3 1.0
N G:ARG180 3.8 34.3 1.0
O G:GLU179 3.8 39.8 1.0
CG G:ARG182 3.9 45.3 1.0
CA G:VAL181 3.9 28.5 1.0
C G:VAL181 4.2 32.7 1.0
CB G:ARG182 4.2 33.3 1.0
CG G:GLU179 4.3 51.0 1.0
CA G:ARG182 4.4 31.5 1.0
C G:ARG180 4.5 33.5 1.0
CG2 G:VAL181 4.5 30.7 1.0
O G:HOH547 4.5 62.8 1.0
CA G:ARG180 4.7 32.6 1.0
O D:HOH343 4.8 60.1 1.0
CG1 G:VAL181 4.8 30.2 1.0
N G:GLU179 5.0 44.3 1.0

Chlorine binding site 4 out of 4 in 6t5a

Go back to Chlorine Binding Sites List in 6t5a
Chlorine binding site 4 out of 4 in the Crystal Structure of Herpes Simplex Virus 1 PUL7:PUL51 Complex


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 Herpes Simplex Virus 1 PUL7:PUL51 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl401

b:45.3
occ:1.00
 NH2 H:ARG134 3.2 49.9 1.0
O B:HOH315 3.3 63.1 1.0
N H:ARG182 3.4 31.3 1.0
C H:GLU179 3.4 41.7 1.0
N H:VAL181 3.4 32.1 1.0
CA H:GLU179 3.5 42.9 1.0
NH1 H:ARG134 3.5 63.5 1.0
CB H:GLU179 3.6 44.1 1.0
CB H:VAL181 3.7 33.7 1.0
N H:ARG180 3.7 35.9 1.0
CZ H:ARG134 3.8 72.5 1.0
O H:GLU179 3.8 39.7 1.0
CA H:VAL181 3.9 31.2 1.0
CG H:ARG182 3.9 47.5 1.0
C H:VAL181 4.1 34.7 1.0
CB H:ARG182 4.2 33.0 1.0
O H:HOH522 4.2 59.4 1.0
CG H:GLU179 4.4 54.9 1.0
C H:ARG180 4.4 35.3 1.0
CA H:ARG182 4.4 31.4 1.0
CG2 H:VAL181 4.4 33.1 1.0
CA H:ARG180 4.6 34.4 1.0
CG1 H:VAL181 4.9 32.5 1.0
N H:GLU179 4.9 45.3 1.0

Reference:

B.G.Butt, D.J.Owen, C.M.Jeffries, L.Ivanova, C.H.Hill, J.W.Houghton, M.F.Ahmed, R.Antrobus, D.I.Svergun, J.J.Welch, C.M.Crump, S.C.Graham. Insights Into Herpesvirus Assembly From the Structure of the PUL7:PUL51 Complex. Elife V. 9 2020.
ISSN: ESSN 2050-084X
PubMed: 32391791
DOI: 10.7554/ELIFE.53789
Page generated: Sat Jul 12 20:01:42 2025

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