Chlorine in PDB 7syy: Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3

Protein crystallography data

The structure of Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3, PDB code: 7syy was solved by K.Xu, Y.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.44 / 2.74
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 137.253, 137.253, 149.967, 90, 90, 90
R / Rfree (%) 21.1 / 23.3

Other elements in 7syy:

The structure of Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3 also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3 (pdb code 7syy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3, PDB code: 7syy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 7syy

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Chlorine binding site 1 out of 10 in the Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl706

b:65.3
occ:1.00
 OG1 A:THR361 3.3 75.3 1.0
N A:ASP360 3.3 73.4 1.0
N2 D:NAG1 3.7 79.0 1.0
CA A:ASP360 4.0 75.6 1.0
O A:GLN358 4.0 72.2 1.0
C1 D:NAG1 4.0 90.0 1.0
CB A:ASP360 4.0 71.5 1.0
N A:THR361 4.0 68.4 1.0
C A:ASP360 4.1 73.0 1.0
C3 D:NAG1 4.1 96.2 1.0
C2 D:NAG1 4.1 87.6 1.0
CB A:THR361 4.3 71.4 1.0
C A:GLY359 4.3 74.1 1.0
CA A:GLY359 4.4 73.1 1.0
OG A:SER419 4.4 94.3 1.0
OD1 A:ASN417 4.5 86.2 1.0
C7 D:NAG1 4.7 81.9 1.0
ND2 A:ASN417 4.7 88.9 1.0
O A:ASP360 4.8 71.7 1.0
CA A:THR361 4.8 71.2 1.0
C8 D:NAG1 4.8 69.1 1.0
CG A:ASP360 4.9 82.5 1.0
CG A:ASN417 4.9 85.6 1.0
C A:GLN358 5.0 74.1 1.0
C5 D:NAG1 5.0 101.5 1.0

Chlorine binding site 2 out of 10 in 7syy

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Chlorine binding site 2 out of 10 in the Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl707

b:71.6
occ:1.00
 NH1 A:ARG396 3.0 79.8 1.0
NH1 A:ARG372 3.2 63.6 1.0
CG A:ARG396 3.4 76.1 1.0
CD A:ARG396 3.5 72.4 1.0
CD A:ARG372 3.7 66.6 1.0
CZ A:ARG396 4.0 81.7 1.0
CB A:ARG372 4.2 64.5 1.0
NE A:ARG396 4.2 76.5 1.0
CZ A:ARG372 4.3 69.3 1.0
CG A:ARG372 4.3 66.7 1.0
CD2 A:LEU397 4.3 64.1 1.0
NE A:ARG372 4.5 72.2 1.0
O A:ARG396 4.6 67.7 1.0
CB A:ARG396 4.7 70.0 1.0
C A:ARG396 4.9 68.0 1.0
O A:ARG372 4.9 80.3 1.0

Chlorine binding site 3 out of 10 in 7syy

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Chlorine binding site 3 out of 10 in the Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl708

b:89.6
occ:1.00
 N A:GLY183 3.0 99.5 1.0
CG2 A:VAL182 3.2 85.0 1.0
O A:LEU448 3.4 66.4 1.0
C A:LEU448 3.5 70.2 1.0
CA A:GLY183 3.6 98.3 1.0
N A:GLY449 3.9 66.9 1.0
C A:VAL182 4.0 92.0 1.0
CA A:LEU448 4.0 72.3 1.0
CA A:GLY449 4.1 69.7 1.0
CA A:VAL182 4.1 82.9 1.0
O A:GLY183 4.1 108.2 1.0
CB A:VAL182 4.3 79.8 1.0
C A:GLY183 4.4 104.8 1.0
CB A:LEU448 4.7 69.5 1.0
CD1 A:LEU448 4.9 72.7 1.0

Chlorine binding site 4 out of 10 in 7syy

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Chlorine binding site 4 out of 10 in the Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl709

b:67.4
occ:1.00
 NH2 A:ARG201 2.7 102.7 1.0
NE A:ARG201 2.8 88.9 1.0
CZ A:ARG201 3.2 95.7 1.0
CH2 A:TRP573 3.8 68.9 1.0
CE A:LYS596 4.0 78.8 1.0
CD A:ARG201 4.1 77.4 1.0
NZ A:LYS596 4.2 77.8 1.0
CZ2 A:TRP573 4.2 69.0 1.0
NH1 A:ARG201 4.5 84.2 1.0
O A:LYS199 4.5 71.6 1.0
CG A:ARG201 4.6 69.9 1.0
CB A:LYS596 4.6 67.5 1.0
CB A:LYS199 4.7 68.9 1.0
CD A:LYS596 4.8 71.7 1.0
CZ3 A:TRP573 4.9 64.4 1.0
CG2 A:VAL262 5.0 80.5 1.0

Chlorine binding site 5 out of 10 in 7syy

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Chlorine binding site 5 out of 10 in the Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl710

b:62.8
occ:1.00
 N A:HIS299 3.2 75.3 1.0
CD1 A:TRP310 3.7 72.3 1.0
N A:THR311 3.7 71.6 1.0
CG1 A:VAL300 3.7 81.8 1.0
N A:VAL300 4.0 76.7 1.0
CA A:HIS299 4.0 78.5 1.0
CB A:HIS299 4.0 81.0 1.0
CA A:SER298 4.1 70.4 1.0
CG2 A:VAL300 4.1 75.3 1.0
C A:SER298 4.1 75.8 1.0
C A:HIS299 4.2 75.2 1.0
CA A:TRP310 4.2 78.3 1.0
OG A:SER298 4.2 75.7 1.0
O A:THR311 4.4 77.2 1.0
NE1 A:TRP310 4.4 70.2 1.0
CB A:VAL300 4.4 78.8 1.0
CB A:THR311 4.5 76.5 1.0
ND1 A:HIS299 4.5 94.0 1.0
C A:TRP310 4.5 78.3 1.0
CA A:THR311 4.6 69.4 1.0
CG A:TRP310 4.6 72.6 1.0
CB A:SER298 4.7 74.4 1.0
CG A:HIS299 4.7 83.9 1.0
O A:SER309 4.8 83.0 1.0
CA A:VAL300 4.9 74.8 1.0
OG1 A:THR311 4.9 83.0 1.0
O A:VAL297 4.9 71.8 1.0
CB A:TRP310 4.9 72.4 1.0
C A:THR311 4.9 77.7 1.0

Chlorine binding site 6 out of 10 in 7syy

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Chlorine binding site 6 out of 10 in the Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl304

b:88.9
occ:1.00
 CE1 H:TYR32 3.4 83.6 1.0
N H:THR28 3.4 79.8 1.0
OG1 H:THR28 3.6 86.8 1.0
ND2 H:ASN31 3.7 78.7 1.0
CB H:THR28 3.7 82.9 1.0
OH H:TYR32 3.8 92.3 1.0
CZ H:TYR32 4.1 83.5 1.0
CB H:TYR27 4.1 83.0 1.0
CA H:THR28 4.1 78.7 1.0
CB H:ASN31 4.3 76.5 1.0
CA H:TYR27 4.4 85.8 1.0
CD1 H:TYR32 4.4 84.9 1.0
C H:TYR27 4.4 83.1 1.0
CG H:ASN31 4.4 80.3 1.0
O H:THR28 4.5 80.8 1.0
C H:THR28 4.8 83.1 1.0
CD2 H:TYR27 4.8 84.1 1.0
CG H:TYR27 5.0 87.9 1.0

Chlorine binding site 7 out of 10 in 7syy

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Chlorine binding site 7 out of 10 in the Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl305

b:72.9
occ:1.00
 N H:ASP61 3.2 73.1 1.0
CD L:PRO95 3.6 58.7 1.0
CB H:ASP61 3.8 82.0 1.0
CA H:ALA60 3.9 68.5 1.0
C H:ALA60 4.0 68.4 1.0
CA H:ASP61 4.1 73.4 1.0
N L:PRO95 4.1 57.7 1.0
CG L:PRO95 4.1 63.9 1.0
CB L:PRO95 4.1 59.2 1.0
CG1 L:VAL94 4.4 60.0 1.0
CB H:ALA60 4.5 65.2 1.0
O H:TYR59 4.5 72.4 1.0
C L:VAL94 4.6 58.0 1.0
CA L:PRO95 4.6 59.8 1.0
O L:VAL94 4.6 61.3 1.0

Chlorine binding site 8 out of 10 in 7syy

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Chlorine binding site 8 out of 10 in the Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl306

b:49.2
occ:1.00
 N H:LYS100B 3.6 74.6 1.0
N H:ALA100C 3.8 71.4 1.0
CE L:LYS50 3.8 73.1 1.0
CG H:LYS100B 3.9 70.2 1.0
CG L:LYS50 3.9 63.1 1.0
CA H:LEU100A 4.0 78.9 1.0
CD1 L:TYR32 4.1 65.7 1.0
CE1 L:TYR32 4.1 66.8 1.0
C H:LEU100A 4.2 76.9 1.0
CB H:ALA100C 4.2 73.2 1.0
CD2 L:TYR49 4.2 74.2 1.0
CG H:LEU100A 4.2 84.7 1.0
CD L:LYS50 4.3 66.1 1.0
CD1 H:LEU100A 4.4 80.9 1.0
CA H:LYS100B 4.4 70.9 1.0
CB H:LEU100A 4.4 79.2 1.0
C H:LYS100B 4.5 71.4 1.0
CA H:ALA100C 4.6 72.1 1.0
CB L:TYR49 4.6 66.5 1.0
CB H:LYS100B 4.7 66.1 1.0
NZ L:LYS50 4.8 85.3 1.0
OE2 L:GLU34 4.8 81.4 1.0
O H:GLY100 4.8 86.2 1.0
CG L:TYR49 4.9 75.8 1.0

Chlorine binding site 9 out of 10 in 7syy

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Chlorine binding site 9 out of 10 in the Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl307

b:74.2
occ:1.00
 N H:LYS115 3.3 64.1 1.0
CD2 H:LEU174 3.7 58.0 1.0
CA H:ALA114 3.9 70.0 1.0
O H:LYS115 4.0 70.4 1.0
C H:ALA114 4.1 71.8 1.0
CB H:ALA114 4.1 58.4 1.0
CG2 H:THR117 4.2 65.9 1.0
CA H:LYS115 4.2 66.2 1.0
CB H:LYS115 4.3 64.1 1.0
CG H:LEU174 4.5 63.1 1.0
C H:LYS115 4.5 66.9 1.0
CG H:LYS115 4.7 75.5 1.0
CB H:ASP173 4.7 64.6 1.0
CD1 H:LEU174 4.7 63.4 1.0
CD H:LYS115 4.7 81.9 1.0
OD2 H:ASP173 4.9 103.6 1.0

Chlorine binding site 10 out of 10 in 7syy

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Chlorine binding site 10 out of 10 in the Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Hendra Virus G Protein Head Domain in Complex with Cross-Neutralizing Murine Antibody HAH1.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl301

b:32.2
occ:1.00
 NE2 L:HIS189 2.3 79.1 1.0
CE1 L:HIS189 3.0 71.8 1.0
CD2 L:HIS189 3.4 75.1 1.0
NH2 L:ARG155 3.5 75.2 1.0
ND1 L:HIS189 4.2 65.0 1.0
NH1 L:ARG155 4.3 69.4 1.0
CZ L:ARG155 4.3 64.4 1.0
CB L:GLU185 4.4 69.8 1.0
CG L:HIS189 4.4 69.2 1.0
CB L:ARG188 4.6 72.5 1.0
O L:GLU185 4.8 83.8 1.0
CG L:ARG188 4.9 72.3 1.0
CA L:GLU185 4.9 78.3 1.0

Reference:

Z.Wang, H.V.Dang, M.Amaya, Y.Xu, R.Yin, L.Yan, A.C.Hickey, E.J.Annand, B.A.Horsburgh, P.A.Reid, I.Smith, J.S.Eden, K.Xu, C.C.Broder, D.Veesler. Potent Monoclonal Antibody-Mediated Neutralization of A Divergent Hendra Virus Variant. Proc.Natl.Acad.Sci.Usa V. 119 69119 2022.
ISSN: ESSN 1091-6490
PubMed: 35617431
DOI: 10.1073/PNAS.2122769119
Page generated: Tue Jul 30 04:20:00 2024

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