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Chlorine in PDB 6nis: Crystal Structure of A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination

Protein crystallography data

The structure of Crystal Structure of A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination, PDB code: 6nis was solved by R.S.Sankhala, V.Dussupt, G.Donofrio, M.Choe, K.Modjarrad, N.L.Michael, S.J.Krebs, M.G.Joyce, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.98 / 2.11
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.850, 66.667, 134.416, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 20

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination (pdb code 6nis). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination, PDB code: 6nis:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6nis

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Chlorine binding site 1 out of 8 in the Crystal Structure of A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination


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 Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl301

b:34.9
occ:1.00
 N H:ALA84 3.3 27.7 1.0
O H:HOH546 3.5 50.4 1.0
CB H:ALA84 3.8 26.3 1.0
CB H:THR83 3.9 34.4 1.0
CA H:THR83 3.9 32.3 1.0
C H:THR83 4.1 30.6 1.0
CA H:ALA84 4.1 32.6 1.0
CG2 H:THR83 4.7 38.1 1.0
CB H:SER113 4.8 33.0 1.0
OG H:SER113 4.8 42.2 1.0
OG1 H:THR83 4.8 31.2 1.0

Chlorine binding site 2 out of 8 in 6nis

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Chlorine binding site 2 out of 8 in the Crystal Structure of A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination


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 Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl302

b:59.1
occ:1.00
 O H:HOH540 2.9 51.0 1.0
O L:HOH573 3.0 49.4 1.0
N L:GLY41 3.0 47.7 1.0
OE1 H:GLN39 3.1 44.4 1.0
NE2 H:GLN39 3.7 41.5 1.0
CA L:PRO40 3.7 50.5 1.0
CD H:GLN39 3.8 41.7 1.0
C L:PRO40 3.8 49.5 1.0
CA L:GLY41 3.9 43.5 1.0
CG2 H:VAL89 4.2 34.4 1.0
CD H:PRO41 4.3 56.9 1.0
O L:HOH569 4.3 38.3 1.0
CB L:PRO40 4.3 50.8 1.0
O L:HOH530 4.6 72.7 1.0
N H:PRO41 4.7 55.9 1.0
O L:LEU39 4.7 45.0 1.0
N L:PRO40 4.9 52.1 1.0
C L:GLY41 4.9 42.7 1.0

Chlorine binding site 3 out of 8 in 6nis

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Chlorine binding site 3 out of 8 in the Crystal Structure of A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination


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 Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl303

b:53.1
occ:1.00
 O H:HOH479 2.9 49.7 1.0
O L:HOH519 3.2 69.7 1.0
N H:TYR59 3.3 39.3 1.0
ND2 L:ASN95A 3.4 90.2 1.0
CE H:LYS64 3.7 62.6 1.0
NZ H:LYS64 3.8 71.5 1.0
CA H:THR58 3.8 39.5 1.0
CD H:LYS64 3.9 55.8 1.0
CD2 H:TYR59 4.0 47.5 1.0
C H:THR58 4.1 39.7 1.0
CB H:TYR59 4.2 43.8 1.0
O H:TYR59 4.2 35.7 1.0
CA H:TYR59 4.2 39.4 1.0
OG1 H:THR58 4.2 54.0 1.0
CG L:ASN95A 4.5 86.1 1.0
O H:THR57 4.5 42.5 1.0
CG H:TYR59 4.5 48.8 1.0
CB H:THR58 4.6 51.4 1.0
O H:HOH560 4.7 61.3 1.0
C H:TYR59 4.7 37.2 1.0
CB L:ASN95A 4.7 74.6 1.0
CG H:LYS64 4.7 57.9 1.0
N H:THR58 4.8 40.6 1.0
C H:THR57 5.0 42.7 1.0

Chlorine binding site 4 out of 8 in 6nis

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Chlorine binding site 4 out of 8 in the Crystal Structure of A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination


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 Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl304

b:0.0
occ:1.00
 O H:HOH552 2.6 63.0 1.0
O H:HOH515 3.0 57.3 1.0
CZ H:PHE122 4.4 30.9 1.0
CB L:ALA128 4.7 42.4 1.0
OG H:SER120 4.8 44.5 1.0
CE1 H:PHE122 4.9 31.1 1.0
CB H:SER120 4.9 30.6 1.0

Chlorine binding site 5 out of 8 in 6nis

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Chlorine binding site 5 out of 8 in the Crystal Structure of A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination


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 Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl303

b:44.7
occ:1.00
 O L:HOH451 3.0 35.4 1.0
O L:HOH500 3.3 40.3 1.0
CD2 L:HIS198 3.4 31.4 1.0
O L:HIS198 3.5 41.7 1.0
CA L:ALA113 3.7 34.9 1.0
CB L:ALA113 3.8 39.2 1.0
O L:HOH461 3.9 32.8 1.0
CD L:PRO114 4.0 24.3 1.0
CB L:SER201 4.2 31.9 1.0
CB L:GLU199 4.2 47.5 1.0
CG L:HIS198 4.3 38.5 1.0
C L:HIS198 4.3 42.6 1.0
NE2 L:HIS198 4.4 42.3 1.0
N L:ALA113 4.4 33.1 1.0
OG L:SER201 4.4 36.3 1.0
CB L:HIS198 4.5 35.2 1.0
O L:ALA112 4.5 30.8 1.0
C L:ALA112 4.7 35.4 1.0
C L:ALA113 4.9 31.7 1.0
CG L:GLU199 4.9 46.2 1.0
N L:PRO114 4.9 23.8 1.0

Chlorine binding site 6 out of 8 in 6nis

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Chlorine binding site 6 out of 8 in the Crystal Structure of A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination


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 Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl304

b:40.7
occ:1.00
 O H:HOH496 3.0 61.2 1.0
O L:HOH446 3.1 36.1 1.0
N L:VAL116 3.2 32.3 1.0
NZ L:LYS205 3.6 34.7 1.0
CA L:SER115 3.8 32.3 1.0
CE L:LYS205 3.8 43.9 1.0
O L:VAL116 3.9 32.0 1.0
C L:SER115 4.0 32.7 1.0
O L:PRO114 4.1 31.7 1.0
CG1 L:VAL203 4.2 30.3 1.0
CA L:VAL116 4.2 29.5 1.0
CB L:VAL116 4.3 33.2 1.0
C2 L:GOL302 4.4 40.6 1.0
C L:VAL116 4.5 34.5 1.0
CB L:SER115 4.5 30.1 1.0
CG2 L:VAL116 4.6 28.8 1.0
N L:SER115 4.8 28.4 1.0
C L:PRO114 4.8 34.6 1.0
O3 L:GOL302 4.9 33.5 1.0
O2 L:GOL302 4.9 39.5 1.0
C3 L:GOL302 4.9 31.4 1.0
CG2 L:VAL203 5.0 37.7 1.0

Chlorine binding site 7 out of 8 in 6nis

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Chlorine binding site 7 out of 8 in the Crystal Structure of A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination


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 Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl305

b:43.5
occ:1.00
 O H:HOH462 2.6 48.2 1.0
N L:LEU118 3.3 24.6 1.0
NZ L:LYS205 3.7 34.7 1.0
CA L:THR117 3.7 28.2 1.0
CB H:SER130 3.8 32.5 1.0
O L:VAL116 3.9 32.0 1.0
CE H:LYS129 4.0 64.3 1.0
C L:THR117 4.0 28.1 1.0
CG L:LYS205 4.0 24.0 1.0
O L:LEU118 4.1 33.5 1.0
CD L:LYS205 4.2 27.1 1.0
OG H:SER130 4.2 40.5 1.0
CB L:LYS205 4.2 25.9 1.0
CA L:LEU118 4.3 29.4 1.0
CB H:LYS129 4.3 36.5 1.0
CG2 L:THR117 4.4 27.8 1.0
CB L:LEU118 4.4 23.5 1.0
NZ H:LYS129 4.4 55.4 1.0
O H:HOH432 4.5 44.4 1.0
CE L:LYS205 4.5 43.9 1.0
CB L:THR117 4.5 30.5 1.0
N L:THR117 4.6 28.2 1.0
C L:VAL116 4.6 34.5 1.0
O L:HOH495 4.6 35.7 1.0
N H:SER130 4.6 28.6 1.0
C L:LEU118 4.6 35.6 1.0
CA H:SER130 4.8 34.9 1.0
OG1 L:THR117 4.9 33.2 1.0
CD H:LYS129 5.0 59.2 1.0

Chlorine binding site 8 out of 8 in 6nis

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Chlorine binding site 8 out of 8 in the Crystal Structure of A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination


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 A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl306

b:63.8
occ:1.00
 CA L:ALA71 3.5 31.4 1.0
C L:ALA71 3.6 42.4 1.0
N L:SER72 3.7 35.0 1.0
N L:ALA71 3.7 31.0 1.0
N L:SER67 3.8 34.0 1.0
CB L:SER67 3.8 46.9 1.0
CB L:SER72 3.8 40.7 1.0
C L:SER70 3.9 38.7 1.0
O L:SER70 3.9 33.2 1.0
O L:ALA71 4.1 41.8 1.0
C L:LYS66 4.1 34.6 1.0
O L:SER65 4.1 33.7 1.0
CA L:LYS66 4.2 38.1 1.0
CB L:SER70 4.4 39.0 1.0
CA L:SER67 4.4 42.8 1.0
CA L:SER72 4.4 39.6 1.0
N L:LYS66 4.4 36.3 1.0
OG L:SER65 4.4 48.0 1.0
C L:SER65 4.4 38.9 1.0
O L:SER67 4.6 48.9 1.0
CA L:SER70 4.8 31.4 1.0
O L:LYS66 4.9 34.5 1.0
CB L:ALA71 5.0 30.1 1.0
OG L:SER72 5.0 64.5 1.0

Reference:

R.S.Sankhala, V.Dussupt, G.Donofrio, M.Choe, K.Modjarrad, N.L.Michael, S.J.Krebs, M.G.Joyce. Crystal Structure of A Human Anti-Zikv-Denv Neutralizing Antibody MZ24 Isolated Following Zpiv Vaccination To Be Published.
Page generated: Mon Jul 29 12:01:24 2024

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