Chlorine in PDB 9dn4: Crystal Structure of A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N

Protein crystallography data

The structure of Crystal Structure of A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N, PDB code: 9dn4 was solved by S.Lovell, A.Cooper, K.P.Battaile, S.Hegde, J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.41 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.726, 68.025, 118.615, 90, 100.16, 90
R / Rfree (%) 17.6 / 22.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N (pdb code 9dn4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N, PDB code: 9dn4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 9dn4

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Chlorine binding site 1 out of 7 in the Crystal Structure of A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N


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 A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:51.1
occ:1.00
N A:GLY146 3.1 21.3 1.0
NZ A:LYS145 3.5 38.1 1.0
CD A:LYS145 3.8 50.9 1.0
CA A:LYS145 3.9 22.9 1.0
CA A:GLY146 3.9 25.4 1.0
C A:LYS145 4.0 21.4 1.0
CE A:LYS145 4.2 47.1 1.0
CG A:LYS145 4.6 29.9 1.0
O A:GLY146 4.6 27.0 1.0
O A:HOH414 4.7 36.1 1.0
O A:THR144 4.7 24.7 1.0
C A:GLY146 4.7 20.9 1.0
CB A:SER231 4.8 25.9 1.0
CB A:LYS145 4.8 25.6 1.0
N A:LYS145 4.9 22.7 1.0

Chlorine binding site 2 out of 7 in 9dn4

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Chlorine binding site 2 out of 7 in the Crystal Structure of A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N


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 A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:59.3
occ:1.00
CE B:LYS64 3.2 52.4 1.0
O2 B:GOL301 3.3 46.5 1.0
NZ B:LYS58 3.6 45.1 1.0
O B:HOH458 3.7 32.4 1.0
NZ B:LYS61 4.1 59.2 1.0
CD B:LYS64 4.1 38.8 1.0
CE B:LYS58 4.3 40.6 1.0
NZ B:LYS64 4.3 46.7 1.0
C2 B:GOL301 4.3 41.4 1.0
OE1 B:GLN56 4.5 23.7 1.0
CE B:LYS61 4.5 61.1 1.0
CG B:LYS58 4.7 34.2 1.0
O B:HOH411 4.7 33.0 1.0
C1 B:GOL301 4.7 48.6 1.0
CD B:LYS58 4.9 32.0 1.0

Chlorine binding site 3 out of 7 in 9dn4

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Chlorine binding site 3 out of 7 in the Crystal Structure of A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N


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 A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:56.3
occ:1.00
OG1 C:THR88 3.5 31.4 1.0
NH1 C:ARG43 3.6 49.4 1.0
NH2 C:ARG43 3.9 53.5 1.0
N C:THR88 3.9 26.9 1.0
CZ C:ARG43 4.2 53.6 1.0
CA C:GLY87 4.3 34.2 1.0
CB C:THR88 4.6 26.9 1.0
C C:GLY87 4.6 30.2 1.0
O C:SER86 4.7 33.5 1.0
CA C:THR88 4.8 32.9 1.0
OD2 C:ASP89 4.9 49.5 1.0

Chlorine binding site 4 out of 7 in 9dn4

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Chlorine binding site 4 out of 7 in the Crystal Structure of A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N


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 A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:58.0
occ:1.00
N C:SER79 3.5 26.5 1.0
OG C:SER79 3.5 43.2 1.0
CA C:PRO78 3.9 26.9 1.0
O C:HOH488 4.1 34.1 1.0
CB C:SER79 4.2 38.1 1.0
C C:PRO78 4.2 27.1 1.0
CB C:PRO78 4.3 27.9 1.0
CA C:SER79 4.5 31.6 1.0

Chlorine binding site 5 out of 7 in 9dn4

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Chlorine binding site 5 out of 7 in the Crystal Structure of A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N


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 A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl304

b:61.4
occ:1.00
NH2 C:ARG230 3.7 45.9 1.0
NH1 C:ARG230 3.8 50.5 1.0
NZ C:LYS209 3.9 63.1 1.0
CZ C:ARG230 4.2 47.2 1.0
CE C:LYS209 4.5 56.0 1.0

Chlorine binding site 6 out of 7 in 9dn4

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Chlorine binding site 6 out of 7 in the Crystal Structure of A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N


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 A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:60.5
occ:1.00
N D:GLY146 3.3 29.7 1.0
CA D:GLY146 4.0 28.8 1.0
CA D:LYS145 4.1 30.8 1.0
C D:LYS145 4.2 27.2 1.0
CG D:LYS145 4.7 34.2 1.0
O D:GLY146 4.8 29.1 1.0
CB D:SER231 4.8 29.3 1.0
O D:THR144 4.9 28.8 1.0
C D:GLY146 4.9 31.7 1.0
CB D:LYS145 4.9 28.9 1.0

Chlorine binding site 7 out of 7 in 9dn4

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Chlorine binding site 7 out of 7 in the Crystal Structure of A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N


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 A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3- 6S97N within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl101

b:63.2
occ:1.00
N1 E:G4 3.5 68.8 1.0
O6 E:G4 3.6 67.5 1.0
NH1 B:ARG85 4.0 36.6 1.0
C6 E:G4 4.0 67.5 1.0
C2 E:G4 4.5 76.2 1.0
N2 E:G4 4.6 89.2 1.0
CZ B:ARG85 4.9 30.8 1.0

Reference:

S.Lovell, J.Wang. Crystal Structure of A Sars-Cov-2 20-Mer Rna in Complex with Fab BL3-6S97N To Be Published.
Page generated: Thu Oct 31 18:10:23 2024

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