Atomistry » Calcium » PDB 2hih-2i52 » 2hty
Atomistry »
  Calcium »
    PDB 2hih-2i52 »
      2hty »

Calcium in PDB 2hty: N1 Neuraminidase

Protein crystallography data

The structure of N1 Neuraminidase, PDB code: 2hty was solved by R.J.Russell, L.F.Haire, D.J.Stevens, P.J.Collins, Y.P.Lin, G.M.Blackburn, A.J.Hay, S.J.Gamblin, J.J.Skehel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.50
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 200.210, 200.770, 211.680, 90.00, 90.00, 90.00
R / Rfree (%) 23.2 / 26.2

Calcium Binding Sites:

The binding sites of Calcium atom in the N1 Neuraminidase (pdb code 2hty). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the N1 Neuraminidase, PDB code: 2hty:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 2hty

Go back to Calcium Binding Sites List in 2hty
Calcium binding site 1 out of 8 in the N1 Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of N1 Neuraminidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca991

b:21.6
occ:1.00
O A:TYR347 2.3 24.1 1.0
OD1 A:ASP324 2.3 22.6 1.0
O A:GLY297 2.5 17.4 1.0
O A:ASP293 2.5 12.8 1.0
C A:TYR347 3.1 23.8 1.0
O A:GLY345 3.2 38.2 1.0
C A:GLY345 3.3 38.4 1.0
N A:TYR347 3.3 29.8 1.0
CG A:ASP324 3.4 22.4 1.0
CA A:GLY345 3.6 38.8 1.0
C A:GLY297 3.6 16.5 1.0
C A:ASP293 3.7 14.4 1.0
N A:GLY348 3.8 21.6 1.0
CA A:GLY348 3.8 19.7 1.0
N A:ALA346 3.9 37.3 1.0
CA A:TYR347 3.9 26.1 1.0
OD2 A:ASP324 4.1 23.4 1.0
CB A:ASP324 4.2 20.1 1.0
C A:ALA346 4.2 33.1 1.0
CA A:ASN294 4.2 15.0 1.0
CA A:ALA346 4.2 34.0 1.0
N A:GLY297 4.2 14.3 1.0
O A:HOH1205 4.3 20.2 1.0
N A:ASN294 4.4 14.6 1.0
CA A:GLY297 4.5 14.2 1.0
N A:SER298 4.5 18.4 1.0
CA A:SER298 4.7 19.2 1.0
C A:ASN294 4.7 15.7 1.0
O A:PRO326 4.8 12.1 1.0
CA A:ASP293 4.9 15.0 1.0
OD2 A:ASP293 4.9 19.8 1.0
O A:HOH1152 4.9 17.0 1.0
O A:ASN294 5.0 15.8 1.0
CB A:TYR347 5.0 27.6 1.0

Calcium binding site 2 out of 8 in 2hty

Go back to Calcium Binding Sites List in 2hty
Calcium binding site 2 out of 8 in the N1 Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of N1 Neuraminidase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca992

b:21.8
occ:1.00
O B:TYR347 2.1 26.5 1.0
O B:ASP293 2.3 16.6 1.0
OD1 B:ASP324 2.4 22.6 1.0
O B:GLY297 2.4 23.0 1.0
C B:TYR347 3.2 26.3 1.0
O B:GLY345 3.2 37.8 1.0
CG B:ASP324 3.4 22.5 1.0
C B:GLY345 3.5 38.3 1.0
C B:ASP293 3.6 16.8 1.0
C B:GLY297 3.6 21.2 1.0
N B:TYR347 3.7 32.0 1.0
CA B:GLY345 3.7 38.8 1.0
CA B:GLY348 3.8 21.8 1.0
N B:GLY348 4.0 23.6 1.0
CA B:TYR347 4.1 28.5 1.0
OD2 B:ASP324 4.2 22.9 1.0
CB B:ASP324 4.2 21.9 1.0
CA B:ASN294 4.3 18.4 1.0
N B:GLY297 4.3 19.1 1.0
N B:ALA346 4.3 38.5 1.0
N B:ASN294 4.4 16.9 1.0
CA B:GLY297 4.5 20.8 1.0
N B:SER298 4.5 22.1 1.0
OD2 B:ASP293 4.6 22.3 1.0
CA B:ASP293 4.6 17.3 1.0
CA B:SER298 4.6 22.4 1.0
CB B:ASP293 4.7 18.4 1.0
C B:ALA346 4.7 34.9 1.0
C B:ASN294 4.7 19.4 1.0
O B:PRO326 4.7 16.8 1.0
N B:ASP293 4.8 17.9 1.0
CA B:ALA346 4.8 36.4 1.0
CG B:ASP293 5.0 21.9 1.0

Calcium binding site 3 out of 8 in 2hty

Go back to Calcium Binding Sites List in 2hty
Calcium binding site 3 out of 8 in the N1 Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of N1 Neuraminidase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca993

b:22.1
occ:1.00
O C:TYR347 2.1 23.8 1.0
OD1 C:ASP324 2.3 18.9 1.0
O C:GLY297 2.4 14.0 1.0
O C:ASP293 2.4 10.2 1.0
O C:GLY345 2.8 29.9 1.0
C C:TYR347 3.0 22.8 1.0
N C:TYR347 3.4 28.1 1.0
CG C:ASP324 3.4 17.5 1.0
C C:GLY345 3.5 31.2 1.0
C C:GLY297 3.6 12.8 1.0
C C:ASP293 3.7 11.3 1.0
N C:GLY348 3.8 20.1 1.0
CA C:GLY348 3.8 18.2 1.0
CA C:TYR347 3.9 24.9 1.0
CA C:GLY345 4.0 31.3 1.0
OD2 C:ASP324 4.2 15.0 1.0
N C:GLY297 4.2 12.1 1.0
CA C:ASN294 4.3 10.3 1.0
N C:ALA346 4.3 32.7 1.0
O C:HOH1214 4.3 18.6 1.0
CB C:ASP324 4.3 17.2 1.0
C C:ALA346 4.4 31.1 1.0
N C:ASN294 4.4 10.2 1.0
CA C:GLY297 4.4 12.7 1.0
N C:SER298 4.5 14.0 1.0
CA C:SER298 4.6 14.3 1.0
CA C:ALA346 4.6 31.7 1.0
C C:ASN294 4.6 10.6 1.0
CA C:ASP293 4.8 11.5 1.0
OD2 C:ASP293 4.8 19.1 1.0
CB C:ASP293 4.9 13.7 1.0
O C:PRO326 4.9 14.1 1.0
O C:ASN294 5.0 9.9 1.0
N C:ASP293 5.0 12.7 1.0

Calcium binding site 4 out of 8 in 2hty

Go back to Calcium Binding Sites List in 2hty
Calcium binding site 4 out of 8 in the N1 Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of N1 Neuraminidase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca994

b:23.6
occ:1.00
OD1 D:ASP324 2.3 18.2 1.0
O D:TYR347 2.3 24.5 1.0
O D:ASP293 2.4 15.3 1.0
O D:GLY297 2.5 15.8 1.0
O D:GLY345 2.7 29.3 1.0
C D:TYR347 3.2 22.8 1.0
C D:GLY345 3.2 31.2 1.0
CG D:ASP324 3.4 17.8 1.0
N D:TYR347 3.5 27.0 1.0
C D:GLY297 3.6 15.1 1.0
CA D:GLY345 3.6 32.5 1.0
C D:ASP293 3.6 16.2 1.0
N D:GLY348 4.0 19.8 1.0
CA D:GLY348 4.0 18.4 1.0
CA D:TYR347 4.0 24.6 1.0
O D:HOH1174 4.1 9.4 1.0
CB D:ASP324 4.1 15.5 1.0
N D:ALA346 4.2 31.4 1.0
N D:GLY297 4.2 14.4 1.0
OD2 D:ASP324 4.3 20.0 1.0
CA D:ASN294 4.4 16.2 1.0
N D:ASN294 4.4 16.8 1.0
N D:SER298 4.4 16.8 1.0
CA D:GLY297 4.5 13.7 1.0
C D:ALA346 4.5 29.2 1.0
CA D:SER298 4.5 16.7 1.0
CA D:ALA346 4.7 30.2 1.0
CA D:ASP293 4.7 16.2 1.0
O D:PRO326 4.7 15.2 1.0
C D:ASN294 4.8 15.4 1.0
OD2 D:ASP293 4.8 16.8 1.0
CB D:ASP293 4.8 16.2 1.0
N D:ASP293 4.9 15.8 1.0
N D:GLY345 5.0 32.4 1.0

Calcium binding site 5 out of 8 in 2hty

Go back to Calcium Binding Sites List in 2hty
Calcium binding site 5 out of 8 in the N1 Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of N1 Neuraminidase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca995

b:28.3
occ:1.00
O E:TYR347 2.3 33.4 1.0
OD1 E:ASP324 2.4 24.3 1.0
O E:GLY297 2.4 28.2 1.0
O E:ASP293 2.5 23.8 1.0
O E:GLY345 2.8 39.8 1.0
C E:GLY345 3.2 41.1 1.0
C E:TYR347 3.3 33.3 1.0
CA E:GLY345 3.3 42.4 1.0
CG E:ASP324 3.5 22.8 1.0
C E:GLY297 3.5 27.6 1.0
C E:ASP293 3.7 24.7 1.0
N E:TYR347 3.7 37.3 1.0
CA E:GLY348 4.1 29.3 1.0
N E:GLY348 4.1 30.8 1.0
N E:ALA346 4.1 41.2 1.0
N E:GLY297 4.1 27.6 1.0
CA E:TYR347 4.2 35.7 1.0
CB E:ASP324 4.2 21.3 1.0
OD2 E:ASP324 4.3 24.2 1.0
N E:SER298 4.3 28.3 1.0
CA E:GLY297 4.4 26.6 1.0
CA E:ASN294 4.4 27.8 1.0
CA E:SER298 4.5 27.0 1.0
N E:ASN294 4.5 25.8 1.0
C E:ALA346 4.6 39.2 1.0
CA E:ASP293 4.7 24.8 1.0
CA E:ALA346 4.7 39.6 1.0
CB E:ASP293 4.8 25.4 1.0
O E:PRO326 4.8 21.4 1.0
N E:GLY345 4.8 42.9 1.0
C E:ASN294 4.8 28.8 1.0
N E:ASP293 4.8 25.6 1.0

Calcium binding site 6 out of 8 in 2hty

Go back to Calcium Binding Sites List in 2hty
Calcium binding site 6 out of 8 in the N1 Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of N1 Neuraminidase within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca996

b:46.0
occ:1.00
O F:TYR347 2.2 38.6 1.0
OD1 F:ASP324 2.4 35.9 1.0
O F:GLY297 2.5 36.4 1.0
O F:ASP293 2.5 31.8 1.0
O F:GLY345 2.9 48.0 1.0
C F:TYR347 3.2 38.4 1.0
C F:GLY345 3.3 48.4 1.0
CG F:ASP324 3.4 38.0 1.0
C F:GLY297 3.5 37.0 1.0
N F:TYR347 3.6 43.7 1.0
CA F:GLY345 3.6 49.1 1.0
C F:ASP293 3.7 31.2 1.0
N F:GLY348 4.0 36.1 1.0
CA F:GLY348 4.0 33.8 1.0
CA F:TYR347 4.0 40.0 1.0
N F:GLY297 4.1 36.7 1.0
N F:ALA346 4.2 48.4 1.0
CB F:ASP324 4.2 37.1 1.0
OD2 F:ASP324 4.3 38.7 1.0
N F:SER298 4.3 37.6 1.0
CA F:GLY297 4.3 37.0 1.0
CA F:SER298 4.4 38.2 1.0
C F:ALA346 4.4 47.0 1.0
CA F:ASN294 4.5 31.9 1.0
N F:ASN294 4.6 31.2 1.0
O F:PRO326 4.6 34.7 1.0
CA F:ALA346 4.7 47.5 1.0
CA F:ASP293 4.7 30.5 1.0
CB F:ASP293 4.8 31.0 1.0
C F:ASN294 4.8 32.5 1.0
N F:ASP293 4.9 30.0 1.0

Calcium binding site 7 out of 8 in 2hty

Go back to Calcium Binding Sites List in 2hty
Calcium binding site 7 out of 8 in the N1 Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of N1 Neuraminidase within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca997

b:29.2
occ:1.00
OD1 G:ASP324 2.2 16.7 1.0
O G:HOH1147 2.2 39.1 1.0
O G:TYR347 2.3 22.9 1.0
O G:GLY297 2.4 15.4 1.0
O G:ASP293 2.6 22.8 1.0
C G:TYR347 3.2 23.1 1.0
CG G:ASP324 3.2 16.9 1.0
C G:GLY297 3.4 15.2 1.0
C G:GLY345 3.5 33.9 1.0
N G:TYR347 3.6 28.9 1.0
O G:GLY345 3.6 36.0 1.0
CA G:GLY345 3.6 33.8 1.0
C G:ASP293 3.8 21.6 1.0
CA G:GLY348 3.9 20.4 1.0
N G:GLY348 3.9 21.7 1.0
OD2 G:ASP324 4.0 16.8 1.0
N G:ALA346 4.0 35.3 1.0
CB G:ASP324 4.1 17.7 1.0
CA G:TYR347 4.1 25.4 1.0
N G:GLY297 4.2 14.7 1.0
O G:HOH1186 4.3 14.1 1.0
CA G:GLY297 4.3 14.3 1.0
N G:SER298 4.3 14.6 1.0
CA G:SER298 4.5 15.8 1.0
CA G:ASN294 4.5 19.9 1.0
C G:ALA346 4.6 32.3 1.0
O G:PRO326 4.6 17.5 1.0
N G:ASN294 4.6 20.0 1.0
CA G:ALA346 4.7 34.0 1.0
CA G:ASP293 4.8 21.9 1.0
C G:ASN294 4.9 19.0 1.0
CB G:ASP293 4.9 21.6 1.0
N G:ASP293 4.9 21.5 1.0
N G:GLY345 5.0 33.4 1.0

Calcium binding site 8 out of 8 in 2hty

Go back to Calcium Binding Sites List in 2hty
Calcium binding site 8 out of 8 in the N1 Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of N1 Neuraminidase within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca998

b:40.2
occ:1.00
O H:TYR347 2.2 46.8 1.0
OD1 H:ASP324 2.3 39.3 1.0
O H:GLY297 2.5 40.5 1.0
O H:ASP293 2.6 39.0 1.0
O H:GLY345 2.8 52.5 1.0
C H:GLY345 3.1 53.4 1.0
C H:TYR347 3.2 45.9 1.0
CA H:GLY345 3.4 54.8 1.0
C H:GLY297 3.4 38.0 1.0
CG H:ASP324 3.5 38.2 1.0
N H:TYR347 3.6 50.0 1.0
C H:ASP293 3.9 39.2 1.0
CA H:GLY348 4.0 41.3 1.0
N H:ALA346 4.0 53.0 1.0
N H:GLY348 4.1 43.4 1.0
N H:GLY297 4.1 37.2 1.0
CA H:TYR347 4.2 47.7 1.0
CB H:ASP324 4.2 37.2 1.0
N H:SER298 4.2 36.8 1.0
OD2 H:ASP324 4.3 38.7 1.0
CA H:GLY297 4.3 37.2 1.0
CA H:SER298 4.4 35.3 1.0
O H:PRO326 4.4 39.4 1.0
CA H:ASN294 4.4 41.1 1.0
C H:ALA346 4.5 52.3 1.0
CA H:ALA346 4.6 52.8 1.0
N H:ASN294 4.6 39.8 1.0
C H:ASN294 4.8 40.8 1.0
N H:GLY345 4.8 56.3 1.0
CA H:ASP293 4.9 38.8 1.0

Reference:

R.J.Russell, L.F.Haire, D.J.Stevens, P.J.Collins, Y.P.Lin, G.M.Blackburn, A.J.Hay, S.J.Gamblin, J.J.Skehel. The Structure of H5N1 Avian Influenza Neuraminidase Suggests New Opportunities For Drug Design. Nature V. 443 45 2006.
ISSN: ISSN 0028-0836
PubMed: 16915235
DOI: 10.1038/NATURE05114
Page generated: Fri Jul 12 12:50:26 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy