Atomistry » Calcium » PDB 6guy-6hhy » 6hfy
Atomistry »
  Calcium »
    PDB 6guy-6hhy »
      6hfy »

Calcium in PDB 6hfy: Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56).

Enzymatic activity of Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56).

All present enzymatic activity of Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56).:
3.2.1.18;

Protein crystallography data

The structure of Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56)., PDB code: 6hfy was solved by M.T.Salinger, J.R.Hobbs, J.W.Murray, W.G.Laver, P.Kuhn, E.F.Garman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.05 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 105.995, 75.763, 105.976, 90.00, 90.50, 90.00
R / Rfree (%) 15.6 / 18.5

Calcium Binding Sites:

The binding sites of Calcium atom in the Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56). (pdb code 6hfy). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56)., PDB code: 6hfy:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 6hfy

Go back to Calcium Binding Sites List in 6hfy
Calcium binding site 1 out of 5 in the Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca514

b:22.4
occ:1.00
 O A:ASP294 2.3 14.6 1.0
OD2 A:ASP325 2.4 15.8 1.0
O A:HOH650 2.4 20.5 1.0
O A:GLY298 2.4 17.2 1.0
O A:PRO348 2.4 17.1 1.0
O A:HOH848 2.7 22.9 1.0
CG A:ASP325 3.4 15.1 1.0
C A:ASP294 3.5 15.2 1.0
C A:PRO348 3.5 17.4 1.0
C A:GLY298 3.5 18.1 1.0
O A:HOH677 3.8 13.6 1.0
CA A:GLY349 4.0 15.2 1.0
CB A:ASP325 4.1 14.8 1.0
CA A:ASN295 4.2 15.8 1.0
O A:HOH738 4.2 27.1 1.0
N A:GLY349 4.2 16.1 1.0
N A:ASN295 4.3 15.0 1.0
OD1 A:ASP325 4.3 13.7 1.0
N A:ALA299 4.3 17.2 1.0
N A:GLY298 4.4 19.7 1.0
CA A:ALA299 4.4 16.5 1.0
CA A:ASP294 4.5 15.0 1.0
CA A:GLY298 4.5 19.1 1.0
CA A:PRO348 4.6 18.9 1.0
C A:ASN295 4.6 16.9 1.0
N A:ASP294 4.6 14.3 1.0
CB A:ASP294 4.7 16.0 1.0
C A:LYS297 4.8 21.6 1.0
OD1 A:ASP294 4.9 17.6 1.0
O A:SER327 4.9 19.0 1.0
O A:ASN295 5.0 17.4 1.0

Calcium binding site 2 out of 5 in 6hfy

Go back to Calcium Binding Sites List in 6hfy
Calcium binding site 2 out of 5 in the Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca514

b:23.0
occ:1.00
 O B:ASP294 2.3 14.2 1.0
O B:HOH728 2.4 14.9 1.0
OD2 B:ASP325 2.4 15.4 1.0
O B:GLY298 2.4 13.9 1.0
O B:PRO348 2.5 13.7 1.0
O B:HOH823 2.7 19.0 1.0
CG B:ASP325 3.4 14.0 1.0
C B:ASP294 3.4 13.7 1.0
C B:GLY298 3.5 14.5 1.0
C B:PRO348 3.6 13.9 1.0
O B:HOH613 3.7 13.4 1.0
CA B:GLY349 4.0 12.7 1.0
CB B:ASP325 4.0 13.7 1.0
O B:HOH665 4.1 23.1 1.0
N B:ALA299 4.2 14.7 1.0
OD1 B:ASP325 4.2 12.9 1.0
N B:GLY349 4.2 13.4 1.0
CA B:ALA299 4.3 14.3 1.0
CA B:ASN295 4.3 13.6 1.0
N B:ASN295 4.3 13.4 1.0
CA B:ASP294 4.4 13.2 1.0
N B:GLY298 4.5 14.8 1.0
N B:ASP294 4.5 12.9 1.0
CA B:GLY298 4.5 14.8 1.0
CB B:ASP294 4.6 13.6 1.0
CA B:PRO348 4.7 14.7 1.0
C B:ASN295 4.7 14.4 1.0
C B:LYS297 4.7 15.4 1.0
O B:LYS297 4.8 15.2 1.0
O B:HOH897 4.8 30.0 1.0
OD1 B:ASP294 5.0 13.6 1.0

Calcium binding site 3 out of 5 in 6hfy

Go back to Calcium Binding Sites List in 6hfy
Calcium binding site 3 out of 5 in the Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca515

b:32.2
occ:1.00
 CE1 B:HIS113 2.5 16.1 1.0
CE1 D:HIS113 2.6 15.9 1.0
CE1 C:HIS113 2.7 15.7 1.0
CE1 A:HIS113 2.7 16.7 1.0
NE2 B:HIS113 2.9 15.1 1.0
NE2 D:HIS113 2.9 15.1 1.0
NE2 A:HIS113 3.0 15.2 1.0
NE2 C:HIS113 3.1 15.0 1.0
ND1 B:HIS113 3.4 15.4 1.0
ND1 D:HIS113 3.4 15.5 1.0
ND1 C:HIS113 3.5 15.1 1.0
ND1 A:HIS113 3.6 16.1 1.0
CD2 B:HIS113 4.0 14.7 1.0
CD2 D:HIS113 4.0 14.4 1.0
CD2 A:HIS113 4.1 14.5 1.0
CD2 C:HIS113 4.1 14.1 1.0
CG B:HIS113 4.2 14.0 1.0
CG D:HIS113 4.2 14.2 1.0
CG A:HIS113 4.3 14.5 1.0
CG C:HIS113 4.3 13.9 1.0
O2 A:GOL513 5.0 35.5 1.0

Calcium binding site 4 out of 5 in 6hfy

Go back to Calcium Binding Sites List in 6hfy
Calcium binding site 4 out of 5 in the Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56). within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca512

b:21.8
occ:1.00
 O C:ASP294 2.2 13.6 1.0
OD2 C:ASP325 2.3 13.4 1.0
O C:GLY298 2.4 13.6 1.0
O C:HOH711 2.5 21.5 1.0
O C:PRO348 2.5 14.6 1.0
O C:HOH799 2.5 23.7 1.0
CG C:ASP325 3.4 12.9 1.0
C C:ASP294 3.4 13.7 1.0
C C:GLY298 3.5 14.9 1.0
C C:PRO348 3.6 14.8 1.0
O C:HOH739 3.8 12.0 1.0
CA C:GLY349 4.0 13.7 1.0
CB C:ASP325 4.1 12.7 1.0
CA C:ASN295 4.2 14.2 1.0
N C:ASN295 4.2 13.8 1.0
O C:HOH679 4.3 28.2 1.0
N C:GLY349 4.3 14.2 1.0
OD1 C:ASP325 4.3 12.9 1.0
N C:ALA299 4.3 14.3 1.0
CA C:ASP294 4.4 13.1 1.0
CA C:ALA299 4.4 14.5 1.0
N C:GLY298 4.5 16.4 1.0
N C:ASP294 4.5 12.7 1.0
CA C:GLY298 4.6 15.8 1.0
C C:ASN295 4.6 15.5 1.0
CB C:ASP294 4.7 13.8 1.0
CA C:PRO348 4.7 16.8 1.0
C C:LYS297 4.8 17.8 1.0
OD1 C:ASP294 4.9 14.1 1.0
O C:LYS297 4.9 20.0 1.0
O C:ASN295 5.0 17.3 1.0

Calcium binding site 5 out of 5 in 6hfy

Go back to Calcium Binding Sites List in 6hfy
Calcium binding site 5 out of 5 in the Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Influenza A Virus N6 Neuraminidase Complex with Dana (Duck/England/56). within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca511

b:23.7
occ:1.00
 O D:ASP294 2.3 14.4 1.0
O D:GLY298 2.3 16.3 1.0
O D:HOH695 2.3 19.1 1.0
OD2 D:ASP325 2.4 15.4 1.0
O D:PRO348 2.4 15.9 1.0
O D:HOH740 2.7 23.0 1.0
CG D:ASP325 3.4 15.0 1.0
C D:GLY298 3.5 17.1 1.0
C D:ASP294 3.5 14.4 1.0
C D:PRO348 3.5 16.4 1.0
O D:HOH669 3.8 11.3 1.0
CA D:GLY349 4.0 14.4 1.0
O D:HOH793 4.0 30.3 1.0
CB D:ASP325 4.0 14.8 1.0
N D:GLY349 4.2 15.0 1.0
OD1 D:ASP325 4.3 14.4 1.0
N D:ALA299 4.3 17.1 1.0
CA D:ASN295 4.3 14.8 1.0
CA D:ALA299 4.3 16.8 1.0
N D:ASN295 4.4 14.5 1.0
CA D:ASP294 4.4 14.0 1.0
N D:GLY298 4.5 17.1 1.0
CA D:GLY298 4.5 17.2 1.0
CB D:ASP294 4.6 14.5 1.0
N D:ASP294 4.6 13.3 1.0
CA D:PRO348 4.6 17.6 1.0
C D:LYS297 4.7 18.0 1.0
C D:ASN295 4.7 15.9 1.0
O D:LYS297 4.8 18.6 1.0
OD1 D:ASP294 4.9 14.7 1.0
O D:SER327 5.0 17.3 1.0

Reference:

M.T.Salinger, J.R.Hobbs, J.W.Murray, W.G.Laver, P.Kuhn, E.F.Garman. High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (in Preparation) To Be Published.
Page generated: Tue Jul 16 08:21:42 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