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Calcium in PDB 7fge: A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus

Protein crystallography data

The structure of A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus, PDB code: 7fge was solved by Y.Chai, Y.Wu, F.Gao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.03 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 105.215, 135.124, 135.449, 90, 103.85, 90
R / Rfree (%) 23 / 29.1

Calcium Binding Sites:

The binding sites of Calcium atom in the A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus (pdb code 7fge). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus, PDB code: 7fge:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 7fge

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Calcium binding site 1 out of 8 in the A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:48.7
occ:1.00
 O A:THR295 2.4 47.1 1.0
O A:GLY344 2.4 35.4 1.0
O A:ASP293 2.5 40.4 1.0
OD2 A:ASP324 2.5 35.2 1.0
O A:ASN297 2.6 41.1 1.0
C A:GLY344 3.4 37.7 1.0
C A:THR295 3.6 45.3 1.0
C A:ASP293 3.7 38.5 1.0
C A:ASN294 3.7 41.7 1.0
CG A:ASP324 3.8 37.5 1.0
C A:ASN297 3.8 39.3 1.0
CA A:ASN294 3.9 43.2 1.0
N A:THR295 3.9 42.8 1.0
O A:ASN294 4.0 39.1 1.0
CA A:GLY345 4.1 34.5 1.0
C A:ALA296 4.1 43.3 1.0
N A:GLY344 4.1 40.2 1.0
N A:ASN297 4.1 38.7 1.0
N A:GLY345 4.2 34.4 1.0
N A:ASN294 4.2 43.0 1.0
O A:ALA296 4.3 43.0 1.0
CA A:THR295 4.4 46.6 1.0
CA A:GLY344 4.4 36.9 1.0
N A:ALA296 4.5 43.0 1.0
OD1 A:ASP324 4.5 38.1 1.0
CA A:ASN297 4.5 34.9 1.0
CA A:ALA296 4.5 43.5 1.0
O A:LEU342 4.6 40.9 1.0
CB A:ASP324 4.8 39.6 1.0
N A:SER298 4.8 37.5 1.0
CA A:ASP293 4.9 34.6 1.0
O A:PRO326 5.0 45.1 1.0
CB A:ASN297 5.0 34.3 1.0
CA A:SER298 5.0 38.5 1.0

Calcium binding site 2 out of 8 in 7fge

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Calcium binding site 2 out of 8 in the A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca502

b:56.0
occ:1.00
 O B:GLY344 2.4 48.1 1.0
O B:ASP293 2.4 44.8 1.0
OD2 B:ASP324 2.5 42.7 1.0
O B:THR295 2.6 48.4 1.0
O B:ASN297 2.6 45.4 1.0
C B:GLY344 3.4 48.1 1.0
CG B:ASP324 3.5 41.0 1.0
C B:ASP293 3.6 46.4 1.0
C B:THR295 3.7 46.0 1.0
C B:ASN294 3.8 45.6 1.0
C B:ASN297 3.8 43.0 1.0
CA B:ASN294 3.8 47.9 1.0
CA B:GLY345 4.0 39.6 1.0
N B:THR295 4.0 47.4 1.0
OD1 B:ASP324 4.1 39.6 1.0
O B:ASN294 4.1 43.1 1.0
N B:GLY345 4.1 41.4 1.0
N B:ASN294 4.2 46.6 1.0
N B:GLY344 4.2 49.4 1.0
O B:LEU342 4.3 51.1 1.0
C B:ALA296 4.3 44.2 1.0
N B:ASN297 4.3 41.9 1.0
CA B:GLY344 4.4 48.5 1.0
O B:ALA296 4.5 42.6 1.0
CA B:THR295 4.5 47.6 1.0
CB B:ASP324 4.6 43.9 1.0
CA B:ASN297 4.6 40.7 1.0
O B:PRO326 4.6 48.8 1.0
N B:ALA296 4.7 45.2 1.0
CA B:ALA296 4.7 43.6 1.0
N B:SER298 4.8 40.5 1.0
CA B:ASP293 4.8 44.4 1.0
CA B:SER298 4.9 40.3 1.0

Calcium binding site 3 out of 8 in 7fge

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Calcium binding site 3 out of 8 in the A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca502

b:42.5
occ:1.00
 O C:ASP293 2.3 41.0 1.0
O C:GLY344 2.4 41.2 1.0
O C:ASN297 2.4 49.6 1.0
O C:THR295 2.5 41.8 1.0
OD2 C:ASP324 2.7 42.2 1.0
C C:GLY344 3.4 44.5 1.0
C C:ASP293 3.4 45.7 1.0
C C:THR295 3.6 41.6 1.0
C C:ASN297 3.6 44.2 1.0
CG C:ASP324 3.8 43.7 1.0
C C:ASN294 3.8 43.4 1.0
N C:THR295 3.9 44.4 1.0
CA C:ASN294 3.9 44.8 1.0
CA C:GLY345 4.1 39.7 1.0
N C:ASN294 4.1 45.2 1.0
N C:ASN297 4.2 38.8 1.0
N C:GLY345 4.2 41.5 1.0
C C:ALA296 4.2 38.7 1.0
N C:GLY344 4.2 43.0 1.0
O C:ASN294 4.4 40.6 1.0
CA C:THR295 4.4 43.8 1.0
CA C:ASN297 4.4 38.8 1.0
O C:ALA296 4.5 38.7 1.0
CA C:GLY344 4.5 43.2 1.0
O C:LEU342 4.5 46.0 1.0
OD1 C:ASP324 4.6 44.3 1.0
N C:ALA296 4.6 44.1 1.0
N C:SER298 4.6 43.7 1.0
CB C:ASP324 4.6 43.4 1.0
CA C:ALA296 4.7 41.1 1.0
CA C:ASP293 4.7 44.5 1.0
CA C:SER298 4.7 41.1 1.0
CB C:ASP293 4.9 45.0 1.0
OD1 C:ASP293 4.9 47.4 1.0
OG1 C:THR295 4.9 47.0 1.0
O C:PRO326 4.9 46.3 1.0
CB C:ASN297 5.0 39.3 1.0

Calcium binding site 4 out of 8 in 7fge

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Calcium binding site 4 out of 8 in the A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca502

b:51.9
occ:1.00
 O D:THR295 2.3 54.5 1.0
O D:GLY344 2.4 51.1 1.0
O D:ASP293 2.4 52.2 1.0
O D:ASN297 2.4 54.6 1.0
OD2 D:ASP324 2.8 46.7 1.0
C D:GLY344 3.4 53.0 1.0
C D:THR295 3.5 57.3 1.0
C D:ASP293 3.6 53.4 1.0
C D:ASN297 3.6 52.2 1.0
CG D:ASP324 3.6 50.0 1.0
C D:ASN294 3.7 58.6 1.0
N D:THR295 3.9 60.5 1.0
CA D:ASN294 3.9 53.8 1.0
N D:ASN297 4.0 52.8 1.0
C D:ALA296 4.0 52.3 1.0
O D:ASN294 4.1 57.6 1.0
N D:GLY344 4.1 53.9 1.0
OD1 D:ASP324 4.1 47.4 1.0
N D:ASN294 4.2 52.2 1.0
CA D:GLY345 4.2 46.0 1.0
N D:GLY345 4.2 47.0 1.0
O D:LEU342 4.2 53.4 1.0
O D:ALA296 4.2 54.3 1.0
CA D:ASN297 4.3 52.1 1.0
CA D:THR295 4.4 59.4 1.0
CA D:GLY344 4.4 54.1 1.0
N D:ALA296 4.4 57.7 1.0
CA D:ALA296 4.5 54.7 1.0
N D:SER298 4.6 53.1 1.0
CB D:ASP324 4.7 50.4 1.0
CA D:ASP293 4.8 52.4 1.0
CB D:ASN297 4.8 53.0 1.0
O D:PRO326 4.8 52.1 1.0
CA D:SER298 4.8 49.5 1.0
C D:ALA343 5.0 54.0 1.0
CB D:ASP293 5.0 50.3 1.0

Calcium binding site 5 out of 8 in 7fge

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Calcium binding site 5 out of 8 in the A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca502

b:45.4
occ:1.00
 OD2 E:ASP324 2.4 43.8 1.0
O E:GLY344 2.4 40.5 1.0
O E:ASN297 2.5 46.9 1.0
O E:THR295 2.5 40.8 1.0
O E:ASP293 2.9 40.5 1.0
C E:GLY344 3.3 42.0 1.0
CG E:ASP324 3.4 44.0 1.0
C E:ASN297 3.6 45.8 1.0
C E:THR295 3.7 42.5 1.0
O E:LEU342 3.9 48.0 1.0
CA E:GLY345 4.0 40.2 1.0
OD1 E:ASP324 4.0 40.3 1.0
N E:GLY344 4.0 41.3 1.0
N E:GLY345 4.0 40.3 1.0
C E:ASP293 4.0 41.4 1.0
C E:ALA296 4.0 51.1 1.0
O E:ALA296 4.1 49.4 1.0
C E:ASN294 4.1 42.4 1.0
N E:ASN297 4.2 45.1 1.0
CA E:GLY344 4.3 40.5 1.0
CA E:ASN294 4.3 43.6 1.0
N E:THR295 4.3 42.8 1.0
O E:ASN294 4.4 40.9 1.0
CA E:ASN297 4.5 41.7 1.0
CA E:ALA296 4.5 48.7 1.0
CB E:ASP324 4.5 46.3 1.0
O E:PRO326 4.5 45.9 1.0
N E:SER298 4.5 45.6 1.0
N E:ALA296 4.6 48.4 1.0
N E:ASN294 4.6 45.0 1.0
CA E:THR295 4.7 45.8 1.0
CA E:SER298 4.7 43.8 1.0
C E:ALA343 4.8 43.2 1.0

Calcium binding site 6 out of 8 in 7fge

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Calcium binding site 6 out of 8 in the A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca502

b:60.7
occ:1.00
 O F:ASP293 2.4 43.2 1.0
O F:GLY344 2.4 40.3 1.0
O F:ASN297 2.4 52.9 1.0
OD2 F:ASP324 2.7 44.7 1.0
O F:THR295 2.7 47.4 1.0
CG F:ASP324 3.3 43.3 1.0
C F:GLY344 3.4 44.8 1.0
C F:ASN297 3.6 47.2 1.0
C F:ASP293 3.6 44.8 1.0
OD1 F:ASP324 3.7 42.7 1.0
CA F:GLY345 3.9 41.2 1.0
C F:THR295 3.9 50.7 1.0
N F:GLY345 4.1 41.4 1.0
C F:ASN294 4.1 44.7 1.0
CA F:ASN294 4.2 48.0 1.0
C F:ALA296 4.2 56.6 1.0
O F:ALA296 4.2 57.0 1.0
N F:THR295 4.3 44.9 1.0
O F:LEU342 4.3 56.6 1.0
N F:ASN297 4.3 49.0 1.0
CB F:ASP324 4.3 46.7 1.0
N F:ASN294 4.3 47.3 1.0
N F:GLY344 4.4 45.2 1.0
N F:SER298 4.4 40.7 1.0
CA F:SER298 4.5 42.2 1.0
O F:ASN294 4.5 44.6 1.0
CA F:ASN297 4.5 44.3 1.0
O F:PRO326 4.5 49.9 1.0
CA F:GLY344 4.5 45.4 1.0
CA F:ASP293 4.7 44.0 1.0
CA F:THR295 4.7 51.8 1.0
CA F:ALA296 4.8 56.5 1.0
N F:ALA296 4.8 58.0 1.0
CB F:ASP293 4.8 47.2 1.0
OG F:SER298 4.9 51.5 1.0
N F:ASP293 5.0 45.4 1.0

Calcium binding site 7 out of 8 in 7fge

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Calcium binding site 7 out of 8 in the A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca502

b:50.9
occ:1.00
 O G:ASP293 2.5 45.0 1.0
O G:ASN297 2.5 55.8 1.0
O G:GLY344 2.5 43.8 1.0
O G:THR295 2.8 46.5 1.0
OD1 G:ASP324 3.1 50.7 1.0
C G:GLY344 3.4 48.7 1.0
CG G:ASP324 3.6 48.3 1.0
C G:ASN297 3.6 55.1 1.0
C G:ASP293 3.7 46.1 1.0
CA G:GLY345 3.9 47.7 1.0
C G:THR295 4.0 48.3 1.0
OD2 G:ASP324 4.0 46.7 1.0
N G:GLY345 4.1 47.0 1.0
C G:ASN294 4.3 51.1 1.0
CA G:ASN294 4.3 49.9 1.0
N G:GLY344 4.3 52.9 1.0
CB G:ASP324 4.4 47.5 1.0
N G:THR295 4.4 48.0 1.0
C G:ALA296 4.4 47.4 1.0
N G:ASN294 4.4 49.4 1.0
N G:ASN297 4.4 47.0 1.0
O G:LEU342 4.4 51.8 1.0
CA G:SER298 4.4 54.2 1.0
N G:SER298 4.4 57.4 1.0
CA G:GLY344 4.5 47.9 1.0
O G:ALA296 4.5 47.4 1.0
CA G:ASN297 4.6 47.5 1.0
O G:PRO326 4.7 48.2 1.0
O G:ASN294 4.7 50.3 1.0
CA G:ASP293 4.7 45.4 1.0
CA G:THR295 4.8 49.4 1.0
CA G:ALA296 4.9 48.9 1.0
CB G:ASP293 4.9 52.9 1.0
N G:ALA296 4.9 50.2 1.0
OG G:SER298 5.0 56.7 1.0

Calcium binding site 8 out of 8 in 7fge

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Calcium binding site 8 out of 8 in the A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca502

b:47.0
occ:1.00
 O H:HOH601 2.1 51.2 1.0
O H:GLY344 2.6 46.3 1.0
O H:ASN297 2.6 53.7 1.0
OD2 H:ASP324 2.7 47.6 1.0
O H:ASP293 3.2 47.0 1.0
O H:THR295 3.2 60.5 1.0
CG H:ASP324 3.3 47.5 1.0
C H:GLY344 3.4 45.3 1.0
C H:ASN297 3.6 47.9 1.0
OD1 H:ASP324 3.8 44.0 1.0
O H:PRO326 3.8 50.3 1.0
O H:ALA296 3.9 47.0 1.0
CA H:GLY345 3.9 41.4 1.0
O H:LEU342 4.0 49.4 1.0
N H:GLY345 4.0 40.1 1.0
CB H:ASP324 4.1 48.0 1.0
C H:ALA296 4.2 48.2 1.0
CA H:SER298 4.2 49.9 1.0
N H:SER298 4.2 49.9 1.0
N H:GLY344 4.3 49.0 1.0
C H:ASP293 4.4 48.4 1.0
C H:THR295 4.4 60.3 1.0
CA H:GLY344 4.4 47.8 1.0
OG H:SER298 4.4 51.6 1.0
N H:ASN297 4.5 48.7 1.0
CD H:PRO326 4.5 50.9 1.0
CA H:ASN297 4.7 47.0 1.0
CA H:ALA296 4.8 52.2 1.0
C H:ASN294 4.9 48.8 1.0
CB H:SER298 4.9 49.2 1.0
N H:PRO326 4.9 49.1 1.0
CA H:ASN294 4.9 48.4 1.0
O H:CYS325 5.0 45.9 1.0
C H:CYS325 5.0 44.9 1.0

Reference:

Y.Chai, Y.Wu, F.Gao. A Naturally-Occurring Neuraminidase-Inhibitors-Resistant Na From Asiatic Toad Influenza B-Like Virus To Be Published.
Page generated: Fri Jul 19 00:51:01 2024

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