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Potassium in PDB 9mer: Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex

Protein crystallography data

The structure of Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex, PDB code: 9mer was solved by N.Seraj, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.98 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.533, 79.533, 256.452, 90, 90, 90
R / Rfree (%) 20.6 / 21.5

Potassium Binding Sites:

The binding sites of Potassium atom in the Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex (pdb code 9mer). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 7 binding sites of Potassium where determined in the Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex, PDB code: 9mer:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7;

Potassium binding site 1 out of 7 in 9mer

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Potassium binding site 1 out of 7 in the Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K317

b:59.2
occ:1.00
 N B:PHE99 3.1 14.4 1.0
O H:HOH468 3.2 37.0 1.0
K B:K320 3.5 74.6 1.0
CD2 B:HIS98 3.6 29.2 1.0
O B:PHE99 3.7 18.6 1.0
CB B:PHE99 3.8 18.9 1.0
CA B:PHE99 3.9 21.7 1.0
O B:HOH487 3.9 39.2 1.0
C B:HIS98 4.1 14.3 1.0
CA B:HIS98 4.1 18.4 1.0
NE2 B:HIS98 4.1 25.8 1.0
C B:PHE99 4.2 18.8 1.0
CG B:HIS98 4.2 23.3 1.0
O H:HOH531 4.4 42.3 1.0
CA H:GLY100 4.6 31.3 1.0
O B:HOH462 4.6 24.4 1.0
O B:GLY97 4.7 18.7 1.0
CB B:HIS98 4.7 15.7 1.0
CE1 B:HIS98 4.9 28.7 1.0
ND1 B:HIS98 5.0 32.1 1.0

Potassium binding site 2 out of 7 in 9mer

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Potassium binding site 2 out of 7 in the Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K318

b:73.5
occ:1.00
 CG B:ARG216 3.1 33.3 1.0
CD B:ARG216 3.2 51.0 1.0
C2 B:EDO303 3.4 31.3 1.0
NE B:ARG216 3.4 62.5 1.0
O B:THR214 3.8 23.6 1.0
O2 B:EDO303 3.8 54.8 1.0
C1 B:EDO303 4.1 30.6 1.0
CB B:THR214 4.2 35.0 1.0
CZ B:ARG216 4.4 55.9 1.0
OD1 H:ASP32 4.6 58.6 1.0
CB B:ARG216 4.7 27.2 1.0
C B:THR214 4.7 20.9 1.0
CG2 B:THR214 4.8 35.9 1.0
CA B:THR214 4.9 27.4 1.0
OG1 B:THR214 4.9 32.4 1.0
O1 B:EDO303 5.0 36.8 1.0

Potassium binding site 3 out of 7 in 9mer

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Potassium binding site 3 out of 7 in the Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K319

b:71.5
occ:1.00
 OE1 B:GLN226 3.5 22.7 1.0
CG2 B:VAL136 3.8 41.3 1.0
O B:HOH424 4.2 36.5 1.0
CD B:GLN226 4.3 25.9 1.0
O B:HOH417 4.4 21.7 1.0
O B:HOH502 4.4 39.0 1.0
O B:HOH409 4.5 16.4 1.0
NE2 B:GLN226 4.5 40.2 1.0
OE2 B:GLU190 4.5 27.6 1.0
OE1 B:GLU190 4.6 29.9 1.0
CE2 B:PHE95 4.7 18.6 1.0
CD B:GLU190 4.8 28.7 1.0
CH2 B:TRP153 4.8 16.3 1.0

Potassium binding site 4 out of 7 in 9mer

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Potassium binding site 4 out of 7 in the Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K320

b:74.6
occ:1.00
 O B:HOH487 2.8 39.2 1.0
K B:K317 3.5 59.2 1.0
O H:HOH468 3.7 37.0 1.0
CB B:PHE99 3.8 18.9 1.0
CD2 B:TYR102 4.2 24.9 1.0
CE2 B:TYR102 4.2 27.8 1.0
O1 B:PEG312 4.2 44.5 1.0
CG2 B:THR93 4.3 26.3 1.0
CB B:ALA62 4.4 18.3 1.0
CG B:TYR102 4.4 23.5 1.0
CZ B:TYR102 4.4 24.8 1.0
CG B:PHE99 4.5 22.0 1.0
C2 B:PEG312 4.6 39.1 1.0
CD2 B:PHE99 4.6 22.8 1.0
CD1 B:TYR102 4.6 19.8 1.0
CE1 B:TYR102 4.7 23.5 1.0
OG1 B:THR93 4.7 26.4 1.0
N B:PHE99 4.9 14.4 1.0
CA B:PHE99 5.0 21.7 1.0

Potassium binding site 5 out of 7 in 9mer

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Potassium binding site 5 out of 7 in the Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K321

b:67.8
occ:1.00
 O L:LEU54 3.7 19.4 1.0
CD B:LYS222 3.8 22.4 1.0
O L:HOH466 4.0 33.9 1.0
CA B:GLY225 4.1 15.3 1.0
O B:HOH460 4.4 22.4 1.0
CB L:LEU54 4.5 22.4 1.0
C L:LEU54 4.6 26.2 1.0
NZ B:LYS222 4.6 40.4 1.0
CG B:LYS222 4.7 28.8 1.0
C L:GLN55 4.8 24.6 1.0
O L:GLN55 4.8 21.8 1.0
CE B:LYS222 4.8 26.5 1.0
N B:GLY225 4.9 18.4 1.0
CB B:LYS222 4.9 21.6 1.0
N L:SER56 4.9 20.2 1.0

Potassium binding site 6 out of 7 in 9mer

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Potassium binding site 6 out of 7 in the Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K307

b:67.7
occ:1.00
 O L:HOH435 3.7 23.3 1.0
O L:THR197 3.8 17.7 1.0
O L:HOH570 3.9 46.0 1.0
CG2 L:THR197 4.1 27.2 1.0
C L:THR197 4.2 19.0 1.0
CA L:HIS198 4.3 24.3 1.0
N L:LYS145 4.3 16.7 1.0
CA L:ALA144 4.4 17.8 1.0
O L:GLU143 4.4 17.7 1.0
N L:HIS198 4.5 21.8 1.0
C L:ALA144 4.6 18.1 1.0
CB L:THR197 4.7 26.0 1.0
N L:ALA144 4.7 16.4 1.0
C L:GLU143 4.7 18.8 1.0
CB L:LYS145 4.7 21.3 1.0
N L:GLN199 4.8 24.1 1.0
C L:HIS198 4.8 20.1 1.0

Potassium binding site 7 out of 7 in 9mer

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Potassium binding site 7 out of 7 in the Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Structure of H1H5:FLUA20 Chimeric Influenza Ha Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K308

b:59.8
occ:1.00
 N L:SER121 2.8 35.1 1.0
OE1 L:GLN124 2.8 19.2 1.0
CB L:SER121 3.1 25.1 1.0
OG L:SER121 3.1 40.1 1.0
CA L:SER121 3.5 39.3 1.0
CB L:GLN124 3.6 28.8 1.0
CD L:GLN124 3.6 25.6 1.0
CB H:PHE122 3.6 27.7 1.0
C L:PRO120 3.7 33.0 1.0
CA L:PRO120 3.8 28.4 1.0
CG H:PHE122 4.1 28.6 1.0
CG L:GLN124 4.2 30.7 1.0
CD2 H:LEU141 4.2 22.3 1.0
CD2 H:PHE122 4.3 31.6 1.0
O L:SER131 4.4 19.8 1.0
C L:SER121 4.5 29.1 1.0
CB L:PRO120 4.5 26.8 1.0
O L:SER121 4.5 33.7 1.0
NE2 L:GLN124 4.6 18.0 1.0
O H:PRO123 4.6 35.7 1.0
O L:PRO119 4.7 25.3 1.0
O L:PRO120 4.9 20.6 1.0
CD1 H:PHE122 4.9 39.7 1.0
CA L:GLN124 4.9 30.4 1.0

Reference:

K.M.Castro, R.Ayardulabi, S.Wehrle, H.Cui, S.Georgeon, J.Schmidt, S.Xiao, N.Seraj, W.Harshbarger, C.P.Mallett, V.Vassilev, X.Saelens, B.E.Correia. Structure-Based Design of Chimeric Influenza Hemagglutinins to Elicit Cross-Group Immunity. Biorxiv 2025.
ISSN: ISSN 2692-8205
PubMed: 40027756
DOI: 10.1101/2024.12.17.628867
Page generated: Sat Aug 9 19:18:51 2025

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