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Chlorine in PDB 1r08: Structural Analysis of Antiviral Agents That Interact with the Capsid of Human Rhinoviruses

Protein crystallography data

The structure of Structural Analysis of Antiviral Agents That Interact with the Capsid of Human Rhinoviruses, PDB code: 1r08 was solved by J.Badger, T.J.Smith, M.G.Rossmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 3.00
Space group P 21 3 2
Cell size a, b, c (Å), α, β, γ (°) 445.100, 445.100, 445.100, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structural Analysis of Antiviral Agents That Interact with the Capsid of Human Rhinoviruses (pdb code 1r08). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural Analysis of Antiviral Agents That Interact with the Capsid of Human Rhinoviruses, PDB code: 1r08:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1r08

Go back to Chlorine Binding Sites List in 1r08
Chlorine binding site 1 out of 2 in the Structural Analysis of Antiviral Agents That Interact with the Capsid of Human Rhinoviruses


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Analysis of Antiviral Agents That Interact with the Capsid of Human Rhinoviruses within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Cl900

b:1.0
occ:1.00
CL1 1:W42900 0.0 1.0 1.0
C6B 1:W42900 1.7 1.0 1.0
C1B 1:W42900 2.7 1.0 1.0
C5B 1:W42900 2.7 1.0 1.0
O1B 1:W42900 2.9 1.0 1.0
C5C 1:W42900 3.3 1.0 1.0
CG2 1:VAL188 3.5 1.0 1.0
CD1 3:LEU25 3.5 1.0 1.0
CD2 3:LEU25 3.5 1.0 1.0
CG 3:LEU25 3.7 1.0 1.0
CB 1:VAL188 3.7 1.0 1.0
CD1 1:TYR152 3.9 1.0 1.0
CE1 1:TYR152 4.0 1.0 1.0
C2B 1:W42900 4.0 1.0 1.0
C4B 1:W42900 4.0 1.0 1.0
CG1 1:VAL188 4.2 1.0 1.0
CG 1:TYR152 4.3 1.0 1.0
CZ 1:TYR152 4.3 1.0 1.0
CG1 1:VAL191 4.4 1.0 1.0
C3B 1:W42900 4.5 1.0 1.0
CD2 1:TYR152 4.6 1.0 1.0
CE2 1:TYR152 4.6 1.0 1.0
C4C 1:W42900 4.8 1.0 1.0
OH 1:TYR152 4.9 1.0 1.0
CB 1:TYR152 5.0 1.0 1.0

Chlorine binding site 2 out of 2 in 1r08

Go back to Chlorine Binding Sites List in 1r08
Chlorine binding site 2 out of 2 in the Structural Analysis of Antiviral Agents That Interact with the Capsid of Human Rhinoviruses


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Analysis of Antiviral Agents That Interact with the Capsid of Human Rhinoviruses within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Cl900

b:1.0
occ:1.00
CL2 1:W42900 0.0 1.0 1.0
C2B 1:W42900 1.7 1.0 1.0
C3B 1:W42900 2.7 1.0 1.0
C1B 1:W42900 2.7 1.0 1.0
CE 1:MET224 2.9 1.0 1.0
O1B 1:W42900 2.9 1.0 1.0
CD1 1:ILE104 3.1 1.0 1.0
C4C 1:W42900 3.6 1.0 1.0
C5C 1:W42900 3.7 1.0 1.0
CZ 1:TYR128 3.9 1.0 1.0
OH 1:TYR128 3.9 1.0 1.0
C4B 1:W42900 4.0 1.0 1.0
C6B 1:W42900 4.0 1.0 1.0
CE1 1:TYR128 4.1 1.0 1.0
CG1 1:ILE104 4.1 1.0 1.0
C3C 1:W42900 4.2 1.0 1.0
CE2 1:TYR128 4.3 1.0 1.0
C5B 1:W42900 4.5 1.0 1.0
CG2 1:ILE104 4.5 1.0 1.0
SD 1:MET224 4.6 1.0 1.0
CD1 1:TYR128 4.6 1.0 1.0
CZ3 1:TRP102 4.7 1.0 1.0
CD2 1:TYR152 4.8 1.0 1.0
CD2 1:TYR128 4.9 1.0 1.0
CE2 1:TYR152 5.0 1.0 1.0
CB 1:MET224 5.0 1.0 1.0

Reference:

J.Badger, I.Minor, M.A.Oliveira, T.J.Smith, M.G.Rossmann. Structural Analysis of Antiviral Agents That Interact with the Capsid of Human Rhinoviruses. Proteins V. 6 1 1989.
ISSN: ISSN 0887-3585
PubMed: 2558377
DOI: 10.1002/PROT.340060102
Page generated: Sat Jul 20 01:47:49 2024

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