Chlorine in PDB 7bep: Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs

Protein crystallography data

The structure of Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs, PDB code: 7bep was solved by D.Zhou, Y.Zhao, J.Ren, D.Stuart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 62.93 / 2.61
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 108.76, 113.221, 302.773, 90, 90, 90
R / Rfree (%) 20.3 / 24.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs (pdb code 7bep). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs, PDB code: 7bep:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 7bep

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Chlorine binding site 1 out of 10 in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs


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 the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:86.1
occ:1.00
N A:TRP47 3.2 77.6 1.0
N B:PHE98 3.3 67.0 1.0
CA B:THR97 3.8 72.5 1.0
CA A:GLU46 3.8 66.3 1.0
CB A:TRP47 3.8 60.2 1.0
CG2 B:THR97 3.9 109.9 1.0
C A:GLU46 4.0 75.7 1.0
C B:THR97 4.0 79.7 1.0
O A:LEU45 4.1 80.6 1.0
CA A:TRP47 4.1 65.3 1.0
CD2 B:PHE98 4.1 74.3 1.0
CB B:PHE98 4.2 68.6 1.0
CA B:PHE98 4.2 70.5 1.0
CB B:THR97 4.3 74.6 1.0
CG A:GLU46 4.4 70.1 1.0
O B:PHE98 4.4 65.7 1.0
OG1 B:THR97 4.5 83.8 1.0
O A:TRP47 4.6 70.9 1.0
CB A:GLU46 4.6 65.9 1.0
CL B:CL303 4.6 116.2 1.0
CG B:PHE98 4.7 64.0 1.0
N A:GLU46 4.7 67.8 1.0
C B:PHE98 4.8 73.2 1.0
C A:LEU45 4.8 77.3 1.0
O B:GLY96 4.8 72.7 1.0
C A:TRP47 4.9 70.3 1.0
N B:THR97 4.9 81.1 1.0

Chlorine binding site 2 out of 10 in 7bep

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Chlorine binding site 2 out of 10 in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs


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 the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:92.9
occ:1.00
N A:HIS56 3.1 84.4 1.0
N A:SER54 3.1 100.4 1.0
ND1 A:HIS56 3.2 104.5 1.0
N A:GLY55 3.3 94.7 1.0
C A:SER54 3.3 100.2 1.0
CB A:SER54 3.4 96.5 1.0
CA A:SER54 3.4 98.6 1.0
CD A:ARG52 3.4 72.6 1.0
CB A:HIS56 3.4 81.7 1.0
NH2 A:ARG52 3.5 83.7 1.0
CG A:ARG52 3.6 63.9 1.0
CG A:HIS56 3.7 102.5 1.0
CB A:ARG52 3.8 73.1 1.0
CA A:HIS56 3.9 79.3 1.0
O A:SER54 3.9 80.6 1.0
OG A:SER53 4.0 129.1 1.0
C A:GLY55 4.1 87.6 1.0
CA A:GLY55 4.2 85.7 1.0
OG A:SER54 4.3 118.8 1.0
NE A:ARG52 4.3 75.9 1.0
CE1 A:HIS56 4.3 92.0 1.0
CZ A:ARG52 4.3 76.8 1.0
C A:SER53 4.4 105.8 1.0
N A:SER53 4.4 107.4 1.0
C A:ARG52 4.6 89.3 1.0
C A:HIS56 4.8 83.4 1.0
CA A:SER53 4.8 108.6 1.0
N A:THR57 4.8 80.3 1.0
CA A:ARG52 4.8 78.3 1.0
CB A:SER53 5.0 115.4 1.0
CD2 A:HIS56 5.0 92.4 1.0

Chlorine binding site 3 out of 10 in 7bep

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Chlorine binding site 3 out of 10 in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs


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 the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:77.8
occ:1.00
NZ B:LYS90 2.7 75.4 1.0
ND2 B:ASN93 3.0 72.0 1.0
N B:ILE2 3.5 79.1 1.0
CG1 B:ILE2 3.9 70.1 1.0
CG B:ASN93 3.9 64.2 1.0
CB B:ILE2 3.9 65.9 1.0
OD1 B:ASN93 4.0 77.0 1.0
CE B:LYS90 4.0 66.5 1.0
CA B:ASP1 4.2 87.8 1.0
CD1 B:LEU95 4.2 72.7 1.0
CD1 B:ILE2 4.2 72.8 1.0
CA B:ILE2 4.3 75.8 1.0
C B:ASP1 4.3 83.5 1.0
ND2 B:ASN92 4.5 69.6 1.0
CB B:ASP1 4.6 94.5 1.0
OD1 B:ASN92 4.7 63.7 1.0
CG B:LEU95 4.9 71.3 1.0
CB B:LEU95 4.9 68.7 1.0
CD B:LYS90 4.9 78.0 1.0

Chlorine binding site 4 out of 10 in 7bep

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Chlorine binding site 4 out of 10 in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs


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 the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:116.2
occ:1.00
NE2 B:GLN3 2.7 108.4 1.0
CD B:GLN3 3.8 98.4 1.0
CG2 B:THR97 3.8 109.9 1.0
OE1 B:GLN3 4.2 91.4 1.0
OG1 B:THR97 4.6 83.8 1.0
CL A:CL301 4.6 86.1 1.0
CB B:THR97 4.9 74.6 1.0
CG B:GLN3 4.9 92.9 1.0

Chlorine binding site 5 out of 10 in 7bep

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Chlorine binding site 5 out of 10 in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl705

b:109.9
occ:1.00
ND1 H:HIS178 3.0 105.3 1.0
CE1 H:HIS178 3.2 101.0 1.0
OD1 L:ASP167 3.5 112.5 1.0
O L:GLU165 4.2 101.4 1.0
CG H:HIS178 4.3 75.8 1.0
CB L:THR164 4.3 90.0 1.0
OG1 L:THR164 4.4 71.2 1.0
CG L:ASP167 4.4 106.7 1.0
CA L:ASP167 4.5 99.7 1.0
CB L:ASP167 4.5 99.3 1.0
O H:VAL177 4.5 95.9 1.0
NE2 H:HIS178 4.5 96.7 1.0
CG2 L:THR164 4.7 82.1 1.0
N L:ASP167 4.9 101.7 1.0
CA H:HIS178 5.0 84.8 1.0

Chlorine binding site 6 out of 10 in 7bep

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Chlorine binding site 6 out of 10 in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl702

b:120.4
occ:1.00
NH1 C:ARG355 3.2 84.9 1.0
CD2 C:PHE464 3.9 94.4 1.0
NH2 C:ARG355 4.1 84.7 1.0
CZ C:ARG355 4.1 87.2 1.0
CD2 C:TYR396 4.3 109.7 1.0
CE2 C:TYR396 4.3 114.3 1.0
CG C:PHE464 4.4 85.4 1.0
CE2 C:PHE464 4.4 86.7 1.0
CB C:PHE464 4.6 87.1 1.0

Chlorine binding site 7 out of 10 in 7bep

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Chlorine binding site 7 out of 10 in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:83.4
occ:1.00
N D:SER54 3.0 80.7 1.0
ND1 D:HIS56 3.0 95.2 1.0
CG D:ARG52 3.1 74.2 1.0
N D:HIS56 3.3 65.4 1.0
CB D:SER54 3.4 81.8 1.0
CA D:SER54 3.4 76.9 1.0
N D:GLY55 3.4 79.6 1.0
C D:SER54 3.4 70.9 1.0
CB D:HIS56 3.5 74.2 1.0
CG D:HIS56 3.7 91.9 1.0
CB D:ARG52 3.8 75.8 1.0
NH2 D:ARG52 3.9 99.2 1.0
CA D:HIS56 4.0 76.0 1.0
O D:SER54 4.0 94.5 1.0
CE1 D:HIS56 4.1 89.5 1.0
C D:SER53 4.2 80.1 1.0
N D:SER53 4.2 79.1 1.0
OG D:SER54 4.2 83.5 1.0
C D:GLY55 4.2 70.8 1.0
CA D:GLY55 4.3 76.6 1.0
CZ D:ARG52 4.4 87.3 1.0
CD D:ARG52 4.4 81.2 1.0
CA D:SER53 4.5 73.8 1.0
C D:ARG52 4.5 66.2 1.0
NE D:ARG52 4.6 84.0 1.0
CB D:SER53 4.6 88.9 1.0
CA D:ARG52 4.8 68.7 1.0
CD2 D:HIS56 4.9 87.5 1.0
OG D:SER53 5.0 115.6 1.0
C D:HIS56 5.0 73.7 1.0
N D:THR57 5.0 72.5 1.0

Chlorine binding site 8 out of 10 in 7bep

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Chlorine binding site 8 out of 10 in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:84.8
occ:1.00
O D:HOH401 3.1 67.4 1.0
N D:TRP47 3.2 82.2 1.0
N F:PHE98 3.3 73.9 1.0
CA F:THR97 3.6 73.1 1.0
CB D:TRP47 3.8 71.4 1.0
CG2 F:THR97 3.8 104.1 1.0
CA D:GLU46 3.9 70.6 1.0
C F:THR97 4.0 80.2 1.0
C D:GLU46 4.0 86.5 1.0
CA D:TRP47 4.1 71.2 1.0
CB F:THR97 4.1 80.9 1.0
O D:LEU45 4.2 79.6 1.0
CA F:PHE98 4.3 66.8 1.0
CD2 F:PHE98 4.3 67.8 1.0
CB F:PHE98 4.3 72.5 1.0
O F:PHE98 4.3 75.2 1.0
OG1 F:THR97 4.4 95.9 1.0
CG D:GLU46 4.5 66.8 1.0
O D:TRP47 4.6 76.0 1.0
O F:GLY96 4.7 74.2 1.0
CB D:GLU46 4.7 68.9 1.0
N F:THR97 4.8 85.2 1.0
C F:PHE98 4.8 80.5 1.0
CG F:PHE98 4.8 65.4 1.0
N D:GLU46 4.8 70.4 1.0
C D:TRP47 4.9 80.2 1.0
C D:LEU45 4.9 78.2 1.0

Chlorine binding site 9 out of 10 in 7bep

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Chlorine binding site 9 out of 10 in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl301

b:77.3
occ:1.00
NZ F:LYS90 2.7 71.7 1.0
N F:ILE2 3.1 78.3 1.0
ND2 F:ASN93 3.5 73.9 1.0
CB F:ILE2 3.6 70.9 1.0
CG1 F:ILE2 3.7 73.2 1.0
CE F:LYS90 3.8 69.9 1.0
CA F:ASP1 3.9 89.7 1.0
CA F:ILE2 4.0 74.0 1.0
C F:ASP1 4.0 82.3 1.0
CD1 F:LEU95 4.0 70.1 1.0
CD1 F:ILE2 4.1 76.2 1.0
OD1 F:ASN93 4.2 84.5 1.0
CB F:ASP1 4.2 94.5 1.0
CG F:ASN93 4.2 75.7 1.0
O F:ILE2 4.6 88.4 1.0
CG F:LEU95 4.8 70.9 1.0
ND2 F:ASN92 4.8 80.1 1.0
CD F:LYS90 4.8 73.8 1.0
CB F:LEU95 4.8 66.0 1.0
C F:ILE2 4.8 88.0 1.0
OD1 F:ASN92 4.9 76.4 1.0
CG F:ASP1 4.9 101.5 1.0
CG2 F:ILE2 5.0 84.1 1.0

Chlorine binding site 10 out of 10 in 7bep

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Chlorine binding site 10 out of 10 in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in A Ternary Complex with Covox-384 and S309 Fabs within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl302

b:97.5
occ:1.00
N I:PHE98 3.7 80.9 1.0
N G:TRP47 3.7 85.2 1.0
CA I:THR97 3.9 77.3 1.0
CA G:GLU46 4.1 66.9 1.0
O G:LEU45 4.2 78.8 1.0
C I:THR97 4.3 81.4 1.0
CD1 I:PHE98 4.3 65.5 1.0
O I:LEU96 4.4 84.9 1.0
C G:GLU46 4.4 82.9 1.0
CB I:PHE98 4.4 79.5 1.0
CB G:TRP47 4.4 85.5 1.0
CB I:THR97 4.5 78.0 1.0
CG G:GLU46 4.6 81.7 1.0
CA I:PHE98 4.6 77.8 1.0
CG2 I:THR97 4.7 73.2 1.0
CA G:TRP47 4.7 69.2 1.0
CB G:GLU46 4.9 75.2 1.0
CG I:PHE98 4.9 76.8 1.0
C G:LEU45 5.0 70.3 1.0
N G:GLU46 5.0 65.1 1.0
O I:PHE98 5.0 80.8 1.0

Reference:

W.Dejnirattisai, D.Zhou, H.M.Ginn, H.M.Duyvesteyn, P.Supasa, J.B.Case, Y.Zhao, T.S.Walter, A.J.Mentzer, C.Liu, B.Wang, G.C.Paesen, J.Slon-Campos, C.Lopez-Camacho, N.M.Kafai, A.L.Bailey, R.E.Chen, B.Ying, C.Thompson, J.Bolton, A.Fyfe, S.Gupta, T.K.Tan, J.Gilbert-Jaramillo, W.James, M.Knight, M.W.Carroll, D.Skelly, C.Dold, Y.Peng, R.Levin, T.Dong, A.J.Pollard, J.C.Knight, P.Klenerman, N.Temperton, D.R.Hall, M.A.Williams, N.G.Paterson, F.K.Bertram, C.A.Seibert, D.K.Clare, A.Howe, J.Raedecke, Y.Song, A.R.Townsend, K.Y.A.Huang, E.E.Fry, J.Mongkolsapaya, M.S.Diamond, J.Ren, D.I.Stuart, G.R.Screaton. The Antigenic Anatomy of Sars-Cov-2 Receptor Binding Domain Cell(Cambridge,Mass.) 2021.
ISSN: ISSN 0092-8674
DOI: 10.1016/J.CELL.2021.02.032
Page generated: Sat Apr 3 14:26:48 2021

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