Chlorine in PDB 7lvw: Structure of Rsv F in Complex with Vhh CL184

Protein crystallography data

The structure of Structure of Rsv F in Complex with Vhh CL184, PDB code: 7lvw was solved by C.-L.Hsieh, J.S.Mclellan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.25 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 104.49, 200.56, 134.66, 90, 105.87, 90
R / Rfree (%) 20.1 / 23

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Rsv F in Complex with Vhh CL184 (pdb code 7lvw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of Rsv F in Complex with Vhh CL184, PDB code: 7lvw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 7lvw

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Chlorine binding site 1 out of 5 in the Structure of Rsv F in Complex with Vhh CL184


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Rsv F in Complex with Vhh CL184 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:28.1
occ:1.00
 O A:HOH803 3.2 27.6 1.0
O A:HOH970 3.2 41.0 1.0
O D:HOH786 3.2 25.1 1.0
O A:HOH749 3.2 26.8 1.0
N D:TYR458 3.3 25.6 1.0
NE1 A:TRP52 3.4 26.5 1.0
CD1 A:TRP52 3.7 27.3 1.0
CD1 D:TYR458 3.8 26.7 1.0
CB D:TYR458 3.9 25.5 1.0
CE A:MET370 4.0 28.8 1.0
O A:SER146 4.0 27.6 1.0
CA D:TYR457 4.2 26.4 1.0
CA D:TYR458 4.2 25.0 1.0
C D:TYR457 4.2 26.2 1.0
CG D:TYR458 4.3 26.1 1.0
O D:LEU456 4.4 27.3 1.0
O A:ALA147 4.5 27.2 1.0
O D:TYR458 4.6 23.4 1.0
CE2 A:TRP52 4.6 26.4 1.0
C A:SER146 4.7 27.0 1.0
CA A:ALA147 4.8 27.1 1.0
NH2 A:ARG49 4.8 27.4 1.0
CE1 D:TYR458 4.8 28.1 1.0
C A:ALA147 4.9 27.2 1.0
C D:TYR458 4.9 25.6 1.0

Chlorine binding site 2 out of 5 in 7lvw

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Chlorine binding site 2 out of 5 in the Structure of Rsv F in Complex with Vhh CL184


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Rsv F in Complex with Vhh CL184 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:24.4
occ:1.00
 O A:HOH852 3.1 20.5 1.0
O B:HOH769 3.2 23.8 1.0
O B:HOH859 3.3 25.1 1.0
NE1 B:TRP52 3.3 23.0 1.0
N A:TYR458 3.4 22.0 1.0
CD1 B:TRP52 3.7 24.2 1.0
CD1 A:TYR458 3.9 23.9 1.0
CB A:TYR458 4.0 22.0 1.0
O B:SER146 4.0 23.9 1.0
CE B:MET370 4.1 25.0 1.0
CA A:TYR457 4.2 22.6 1.0
C A:TYR457 4.2 23.7 1.0
CA A:TYR458 4.2 22.2 1.0
O A:LEU456 4.4 23.6 1.0
CG A:TYR458 4.4 23.6 1.0
O B:ALA147 4.5 25.5 1.0
CE2 B:TRP52 4.6 24.6 1.0
O A:TYR458 4.6 20.8 1.0
CA B:ALA147 4.7 26.7 1.0
C B:SER146 4.7 25.8 1.0
NH2 B:ARG49 4.8 25.5 1.0
C B:ALA147 4.8 25.1 1.0
CB A:TYR457 4.9 22.0 1.0
CE1 A:TYR458 4.9 26.5 1.0
C A:TYR458 5.0 21.8 1.0

Chlorine binding site 3 out of 5 in 7lvw

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Chlorine binding site 3 out of 5 in the Structure of Rsv F in Complex with Vhh CL184


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Rsv F in Complex with Vhh CL184 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:31.6
occ:1.00
 O B:HOH839 3.1 23.4 1.0
O D:HOH783 3.3 27.6 1.0
N B:TYR458 3.3 26.0 1.0
NE1 D:TRP52 3.4 26.8 1.0
O B:HOH853 3.4 28.1 1.0
CD1 D:TRP52 3.8 27.6 1.0
CB B:TYR458 3.8 26.9 1.0
CD1 B:TYR458 3.9 28.1 1.0
O D:SER146 4.0 28.3 1.0
CE D:MET370 4.0 27.6 1.0
CA B:TYR458 4.1 26.9 1.0
CA B:TYR457 4.2 26.2 1.0
C B:TYR457 4.3 26.9 1.0
O B:LEU456 4.3 27.3 1.0
CG B:TYR458 4.4 27.2 1.0
O D:ALA147 4.5 27.8 1.0
O B:TYR458 4.6 22.8 1.0
C D:SER146 4.6 28.0 1.0
CE2 D:TRP52 4.7 27.6 1.0
CA D:ALA147 4.7 28.5 1.0
C D:ALA147 4.8 27.6 1.0
NH2 D:ARG49 4.9 26.8 1.0
C B:TYR458 4.9 26.0 1.0
CE1 B:TYR458 5.0 29.4 1.0

Chlorine binding site 4 out of 5 in 7lvw

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Chlorine binding site 4 out of 5 in the Structure of Rsv F in Complex with Vhh CL184


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Rsv F in Complex with Vhh CL184 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl601

b:28.9
occ:1.00
 O E:HOH811 3.1 29.2 1.0
O F:HOH834 3.2 33.3 1.0
O E:HOH828 3.2 32.4 1.0
NE1 F:TRP52 3.3 32.4 1.0
N E:TYR458 3.3 28.7 1.0
CD1 F:TRP52 3.7 33.1 1.0
CD1 E:TYR458 3.9 30.7 1.0
CE F:MET370 3.9 31.8 1.0
CB E:TYR458 4.0 29.4 1.0
O F:SER146 4.0 32.5 1.0
CA E:TYR457 4.1 29.8 1.0
C E:TYR457 4.2 30.6 1.0
CA E:TYR458 4.2 30.0 1.0
O E:LEU456 4.4 29.1 1.0
CG E:TYR458 4.4 30.8 1.0
CE2 F:TRP52 4.6 33.6 1.0
O E:TYR458 4.6 26.9 1.0
O F:ALA147 4.7 33.2 1.0
C F:SER146 4.7 33.1 1.0
CA F:ALA147 4.8 34.1 1.0
NH2 F:ARG49 4.8 31.6 1.0
CB E:TYR457 4.8 29.5 1.0
CE1 E:TYR458 4.9 32.6 1.0
C E:TYR458 5.0 28.8 1.0
C F:ALA147 5.0 33.0 1.0

Chlorine binding site 5 out of 5 in 7lvw

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Chlorine binding site 5 out of 5 in the Structure of Rsv F in Complex with Vhh CL184


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Rsv F in Complex with Vhh CL184 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl602

b:39.9
occ:1.00
 OG1 E:THR423 2.6 31.1 1.0
OG E:SER425 2.7 31.3 1.0
O E:HOH769 2.8 34.3 1.0
C E:THR423 3.2 30.1 1.0
C E:ALA424 3.2 32.3 1.0
N E:SER425 3.2 30.8 1.0
O E:THR423 3.2 28.0 1.0
N E:ALA424 3.3 28.4 1.0
CB E:SER425 3.3 31.5 1.0
CB E:THR423 3.3 30.0 1.0
CA E:ALA424 3.4 29.0 1.0
N E:SER451 3.8 29.4 1.0
O E:ALA424 3.8 31.4 1.0
CA E:SER425 3.8 31.9 1.0
CA E:THR423 3.9 29.9 1.0
CB E:SER451 4.0 30.7 1.0
OG E:SER451 4.1 32.9 1.0
O E:HOH926 4.1 37.2 1.0
O E:THR449 4.2 29.0 1.0
CA E:VAL450 4.3 29.2 1.0
C E:VAL450 4.3 29.4 1.0
CG1 E:ILE431 4.5 34.6 1.0
O E:HOH751 4.5 36.2 1.0
CA E:SER451 4.5 29.8 1.0
OG1 E:THR449 4.5 29.8 1.0
O E:HOH756 4.6 36.0 1.0
N E:THR423 4.7 28.4 1.0
C E:THR449 4.7 29.9 1.0
O E:HOH935 4.7 37.4 1.0
CG2 E:THR423 4.7 31.5 1.0
N E:VAL450 4.8 28.3 1.0
CB E:ALA424 4.9 30.1 1.0

Reference:

I.Rossey, C.L.Hsieh, K.Sedeyn, M.Ballegeer, B.Schepens, J.S.Mclellan, X.Saelens. A Vulnerable, Membrane-Proximal Site in Human Respiratory Syncytial Virus F Revealed By A Prefusion-Specific Single-Domain Antibody. J.Virol. 2021.
ISSN: ESSN 1098-5514
PubMed: 33692208
DOI: 10.1128/JVI.02279-20
Page generated: Tue Jul 30 00:13:29 2024

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