Atomistry » Chlorine » PDB 6vlm-6vx6 » 6vmz
Atomistry »
  Chlorine »
    PDB 6vlm-6vx6 »
      6vmz »

Chlorine in PDB 6vmz: Crystal Structure of A H5N1 Influenza Virus Hemagglutinin with CBS1117

Protein crystallography data

The structure of Crystal Structure of A H5N1 Influenza Virus Hemagglutinin with CBS1117, PDB code: 6vmz was solved by A.Antanasijevic, M.A.Durst, A.Lavie, M.Caffrey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.47 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.710, 126.083, 249.639, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 25.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A H5N1 Influenza Virus Hemagglutinin with CBS1117 (pdb code 6vmz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of A H5N1 Influenza Virus Hemagglutinin with CBS1117, PDB code: 6vmz:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6vmz

Go back to Chlorine Binding Sites List in 6vmz
Chlorine binding site 1 out of 6 in the Crystal Structure of A H5N1 Influenza Virus Hemagglutinin with CBS1117


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 H5N1 Influenza Virus Hemagglutinin with CBS1117 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:0.5
occ:1.00
 CL1 A:R3P404 0.0 0.5 1.0
C14 A:R3P404 1.8 91.0 1.0
C13 A:R3P404 2.7 82.1 1.0
C9 A:R3P404 2.8 87.1 1.0
C8 A:R3P404 3.1 82.2 1.0
OG1 B:THR49 3.3 56.3 1.0
N1 A:R3P404 3.4 85.7 1.0
O A:R3P404 3.8 67.8 1.0
CG2 B:ILE45 3.8 63.0 1.0
O B:ILE45 3.9 57.2 1.0
C4 A:R3P404 3.9 87.4 1.0
C12 A:R3P404 4.0 83.6 1.0
C10 A:R3P404 4.1 86.0 1.0
CA B:ILE45 4.1 62.3 1.0
CH2 B:TRP21 4.2 60.6 1.0
CB B:ILE45 4.3 65.3 1.0
CG1 B:VAL48 4.3 54.6 1.0
CG1 B:ILE45 4.3 63.2 1.0
C5 A:R3P404 4.3 88.5 1.0
CB B:VAL48 4.4 53.5 1.0
N B:THR49 4.4 52.5 1.0
C B:ILE45 4.5 54.9 1.0
C11 A:R3P404 4.6 83.5 1.0
CB B:THR49 4.6 57.6 1.0
CA B:THR49 4.8 57.3 1.0
CZ3 B:TRP21 4.9 60.8 1.0
CZ2 B:TRP21 4.9 59.0 1.0

Chlorine binding site 2 out of 6 in 6vmz

Go back to Chlorine Binding Sites List in 6vmz
Chlorine binding site 2 out of 6 in the Crystal Structure of A H5N1 Influenza Virus Hemagglutinin with CBS1117


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 H5N1 Influenza Virus Hemagglutinin with CBS1117 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:94.3
occ:1.00
 CL A:R3P404 0.0 94.3 1.0
C10 A:R3P404 1.8 86.0 1.0
C9 A:R3P404 2.8 87.1 1.0
C11 A:R3P404 2.8 83.5 1.0
C8 A:R3P404 3.0 82.2 1.0
O A:R3P404 3.3 67.8 1.0
N1 A:R3P404 3.7 85.7 1.0
OG1 A:THR325 3.7 51.5 1.0
O A:ALA39 4.0 56.7 1.0
C14 A:R3P404 4.1 91.0 1.0
C12 A:R3P404 4.1 83.6 1.0
CG2 A:THR325 4.3 52.2 1.0
CB A:THR325 4.3 47.9 1.0
CB A:HIS38 4.6 68.4 1.0
C13 A:R3P404 4.6 82.1 1.0
C A:ALA39 4.6 56.2 1.0
OE1 A:GLN40 4.8 83.7 1.0
N A:ALA39 4.8 58.5 1.0
C5 A:R3P404 4.9 88.5 1.0
C6 A:R3P404 4.9 89.9 1.0

Chlorine binding site 3 out of 6 in 6vmz

Go back to Chlorine Binding Sites List in 6vmz
Chlorine binding site 3 out of 6 in the Crystal Structure of A H5N1 Influenza Virus Hemagglutinin with CBS1117


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 H5N1 Influenza Virus Hemagglutinin with CBS1117 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl404

b:97.7
occ:1.00
 CL1 C:R3P404 0.0 97.7 1.0
C14 C:R3P404 1.8 87.3 1.0
C13 C:R3P404 2.8 91.0 1.0
C9 C:R3P404 2.8 91.2 1.0
O C:R3P404 2.9 81.0 1.0
C8 C:R3P404 3.1 88.2 1.0
O C:ALA39 3.7 54.3 1.0
OG1 C:THR325 3.8 49.3 1.0
O C:HOH592 3.9 44.3 1.0
C10 C:R3P404 4.0 86.5 1.0
C12 C:R3P404 4.1 82.8 1.0
N1 C:R3P404 4.1 93.8 1.0
CG2 C:THR325 4.4 54.2 1.0
CB C:THR325 4.4 48.3 1.0
C C:ALA39 4.4 60.0 1.0
CB C:HIS38 4.4 58.4 1.0
OE1 C:GLN40 4.6 81.5 1.0
C11 C:R3P404 4.6 82.1 1.0
N C:ALA39 4.6 61.7 1.0
C6 C:R3P404 4.7 91.8 1.0
C5 C:R3P404 4.7 93.3 1.0

Chlorine binding site 4 out of 6 in 6vmz

Go back to Chlorine Binding Sites List in 6vmz
Chlorine binding site 4 out of 6 in the Crystal Structure of A H5N1 Influenza Virus Hemagglutinin with CBS1117


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 H5N1 Influenza Virus Hemagglutinin with CBS1117 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl404

b:0.4
occ:1.00
 CL C:R3P404 0.0 0.4 1.0
C10 C:R3P404 1.8 86.5 1.0
C11 C:R3P404 2.7 82.1 1.0
C9 C:R3P404 2.7 91.2 1.0
N1 C:R3P404 3.0 93.8 1.0
C8 C:R3P404 3.1 88.2 1.0
OG1 D:THR49 3.3 61.2 1.0
CG1 D:VAL48 3.8 60.7 1.0
O D:ILE45 3.9 64.3 1.0
C12 C:R3P404 4.0 82.8 1.0
C14 C:R3P404 4.0 87.3 1.0
CB D:VAL48 4.1 60.8 1.0
CH2 D:TRP21 4.1 46.9 1.0
O C:R3P404 4.1 81.0 1.0
N D:THR49 4.2 54.2 1.0
CG2 D:ILE45 4.3 65.7 1.0
C5 C:R3P404 4.3 93.3 1.0
CA D:ILE45 4.3 63.9 1.0
C13 C:R3P404 4.5 91.0 1.0
CB D:THR49 4.6 58.1 1.0
C4 C:R3P404 4.6 93.1 1.0
C D:ILE45 4.6 61.4 1.0
CA D:THR49 4.6 57.2 1.0
CB D:ILE45 4.7 64.7 1.0
CB C:THR325 4.7 48.3 1.0
C D:VAL48 4.7 56.4 1.0
CG1 D:ILE45 4.7 69.0 1.0
CZ2 D:TRP21 4.8 51.9 1.0
CG2 C:THR325 4.9 54.2 1.0
CZ3 D:TRP21 4.9 49.4 1.0
CA D:VAL48 4.9 60.7 1.0

Chlorine binding site 5 out of 6 in 6vmz

Go back to Chlorine Binding Sites List in 6vmz
Chlorine binding site 5 out of 6 in the Crystal Structure of A H5N1 Influenza Virus Hemagglutinin with CBS1117


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 H5N1 Influenza Virus Hemagglutinin with CBS1117 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl403

b:0.4
occ:1.00
 CL1 E:R3P403 0.0 0.4 1.0
C14 E:R3P403 1.8 0.1 1.0
C9 E:R3P403 2.8 0.0 1.0
C13 E:R3P403 2.8 99.8 1.0
OG1 F:THR49 2.9 72.0 1.0
C8 E:R3P403 3.1 99.2 1.0
N1 E:R3P403 3.2 0.5 1.0
O F:ILE45 3.6 75.7 1.0
CG1 F:VAL48 3.9 61.7 1.0
N F:THR49 3.9 65.8 1.0
CG2 F:ILE45 3.9 81.3 1.0
O E:R3P403 4.0 86.7 1.0
CB F:VAL48 4.0 61.0 1.0
C10 E:R3P403 4.0 97.6 1.0
C12 E:R3P403 4.1 0.9 1.0
CA F:ILE45 4.1 77.3 1.0
CB F:THR49 4.2 71.2 1.0
C F:ILE45 4.3 77.3 1.0
CA F:THR49 4.3 66.6 1.0
CB F:ILE45 4.4 79.6 1.0
C5 E:R3P403 4.4 0.1 1.0
C F:VAL48 4.5 63.1 1.0
CH2 F:TRP21 4.5 66.1 1.0
C11 E:R3P403 4.5 0.9 1.0
C4 E:R3P403 4.6 0.2 1.0
CG1 F:ILE45 4.6 81.5 1.0
CA F:VAL48 4.8 63.0 1.0

Chlorine binding site 6 out of 6 in 6vmz

Go back to Chlorine Binding Sites List in 6vmz
Chlorine binding site 6 out of 6 in the Crystal Structure of A H5N1 Influenza Virus Hemagglutinin with CBS1117


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 H5N1 Influenza Virus Hemagglutinin with CBS1117 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl403

b:0.5
occ:1.00
 CL E:R3P403 0.0 0.5 1.0
C10 E:R3P403 1.8 97.6 1.0
C9 E:R3P403 2.7 0.0 1.0
C11 E:R3P403 2.8 0.9 1.0
O E:R3P403 2.9 86.7 1.0
C8 E:R3P403 3.0 99.2 1.0
O E:HOH526 3.8 55.9 1.0
N1 E:R3P403 3.8 0.5 1.0
OG1 E:THR325 3.9 57.2 1.0
C14 E:R3P403 4.0 0.1 1.0
C12 E:R3P403 4.1 0.9 1.0
CG2 E:THR325 4.4 59.9 1.0
CB E:THR325 4.4 55.8 1.0
C6 E:R3P403 4.4 0.9 1.0
O E:ALA39 4.4 53.2 1.0
C13 E:R3P403 4.6 99.8 1.0
OE1 E:GLN40 4.6 90.9 1.0
CB E:HIS38 4.6 73.2 1.0
C5 E:R3P403 4.7 0.1 1.0
C E:ALA39 4.9 56.5 1.0

Reference:

A.Antanasijevic, M.A.Durst, H.Cheng, I.N.Gaisina, J.T.Perez, B.Manicassamy, L.Rong, A.Lavie, M.Caffrey. Structure of Avian Influenza Hemagglutinin in Complex with A Small Molecule Entry Inhibitor. Life Sci Alliance V. 3 2020.
ISSN: ESSN 2575-1077
PubMed: 32611549
DOI: 10.26508/LSA.202000724
Page generated: Sat Jul 12 20:59:15 2025

Last articles

Mg in 4AS3
Mg in 4AS2
Mg in 4AS1
Mg in 4ARZ
Mg in 4ARQ
Mg in 4ARK
Mg in 4ARI
Mg in 4AQX
Mg in 4ARC
Mg in 4AQV
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy