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Calcium in PDB 2cml: Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K.

Enzymatic activity of Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K.

All present enzymatic activity of Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K.:
3.2.1.18;

Protein crystallography data

The structure of Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K., PDB code: 2cml was solved by E.Rudino-Pinera, P.Tunnah, P.Lukacik, S.J.Crennell, R.G.Webster, W.G.Laver, E.F.Garman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.70 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 106.241, 73.685, 106.684, 90.00, 90.29, 90.00
R / Rfree (%) 18 / 23.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K. (pdb code 2cml). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K., PDB code: 2cml:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 2cml

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Calcium binding site 1 out of 4 in the Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1479

b:20.2
occ:1.00
 O A:ASP300 2.4 11.3 1.0
O A:PRO354 2.4 12.3 1.0
O A:GLY304 2.4 13.3 1.0
OD2 A:ASP331 2.5 18.2 1.0
O A:HOH2075 2.9 16.8 1.0
CG A:ASP331 3.5 12.1 1.0
C A:GLY304 3.5 13.9 1.0
C A:PRO354 3.6 13.2 1.0
C A:ASP300 3.6 10.9 1.0
CA A:GLY355 4.1 11.1 1.0
CA A:ASN301 4.2 9.7 1.0
CB A:ASP331 4.2 11.4 1.0
N A:ALA305 4.3 13.3 1.0
OD1 A:ASP331 4.3 12.3 1.0
N A:ASN301 4.3 10.2 1.0
N A:GLY355 4.3 11.8 1.0
N A:GLY304 4.3 13.4 1.0
CA A:GLY304 4.4 14.3 1.0
CA A:ALA305 4.4 11.9 1.0
C A:ASN301 4.6 11.2 1.0
CA A:PRO354 4.6 13.7 1.0
CA A:ASP300 4.7 10.2 1.0
N A:ASP300 4.8 11.2 1.0
C A:LYS303 4.8 15.2 1.0
CB A:ASP300 4.8 10.3 1.0
OD2 A:ASP300 4.9 13.1 1.0

Calcium binding site 2 out of 4 in 2cml

Go back to Calcium Binding Sites List in 2cml
Calcium binding site 2 out of 4 in the Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca2479

b:25.0
occ:1.00
 OD2 B:ASP1331 2.3 15.4 1.0
O B:PRO1354 2.4 12.2 1.0
O B:ASP1300 2.4 9.3 1.0
O B:GLY1304 2.5 12.9 1.0
O B:HOH2071 2.7 15.8 1.0
CG B:ASP1331 3.4 12.7 1.0
C B:GLY1304 3.6 12.5 1.0
C B:PRO1354 3.6 13.0 1.0
C B:ASP1300 3.6 9.2 1.0
O B:HOH2064 3.9 9.3 1.0
CA B:GLY1355 4.0 11.3 1.0
CB B:ASP1331 4.1 11.3 1.0
OD1 B:ASP1331 4.3 12.9 1.0
N B:GLY1355 4.3 11.8 1.0
CA B:ASN1301 4.3 8.8 1.0
N B:ALA1305 4.3 12.3 1.0
CA B:ALA1305 4.3 11.3 1.0
N B:ASN1301 4.4 9.6 1.0
N B:GLY1304 4.5 12.3 1.0
CA B:GLY1304 4.6 12.8 1.0
CA B:ASP1300 4.6 9.3 1.0
N B:ASP1300 4.6 9.2 1.0
C B:ASN1301 4.7 8.8 1.0
CA B:PRO1354 4.7 13.7 1.0
CB B:ASP1300 4.7 7.7 1.0
O B:LYS1303 4.8 7.7 1.0
C B:LYS1303 4.8 10.4 1.0
O B:SER1333 4.9 16.7 1.0

Calcium binding site 3 out of 4 in 2cml

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Calcium binding site 3 out of 4 in the Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca3479

b:21.5
occ:1.00
 O C:PRO2354 2.3 10.5 1.0
O C:ASP2300 2.5 10.6 1.0
O C:GLY2304 2.5 11.8 1.0
OD2 C:ASP2331 2.6 10.1 1.0
O C:HOH4065 2.8 18.1 1.0
C C:PRO2354 3.5 11.5 1.0
CG C:ASP2331 3.5 11.6 1.0
C C:ASP2300 3.6 9.1 1.0
C C:GLY2304 3.6 12.9 1.0
O C:HOH4058 4.0 8.0 1.0
CA C:GLY2355 4.0 9.1 1.0
N C:GLY2355 4.1 9.6 1.0
CA C:ASN2301 4.2 9.8 1.0
CB C:ASP2331 4.3 12.4 1.0
OD1 C:ASP2331 4.3 8.8 1.0
N C:ASN2301 4.4 9.2 1.0
N C:ALA2305 4.4 12.1 1.0
CA C:ALA2305 4.4 10.8 1.0
N C:GLY2304 4.5 15.6 1.0
C C:ASN2301 4.5 11.5 1.0
CA C:PRO2354 4.5 12.3 1.0
CA C:GLY2304 4.6 13.9 1.0
CA C:ASP2300 4.6 9.6 1.0
CB C:ASP2300 4.8 10.1 1.0
N C:ASP2300 4.8 9.8 1.0
OD2 C:ASP2300 4.8 17.0 1.0
O C:ASN2301 4.9 11.1 1.0
C C:LYS2303 4.9 16.9 1.0
O C:SER2333 4.9 15.2 1.0
N C:TRP2302 4.9 13.4 1.0

Calcium binding site 4 out of 4 in 2cml

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Calcium binding site 4 out of 4 in the Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Neuraminidase From English Duck Subtype N6 Complexed with 30 Mm Zanamivir, Crystal Soaked For 3 Hours at 291 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca4479

b:19.3
occ:1.00
 O D:PRO3354 2.3 9.8 1.0
O D:ASP3300 2.4 12.4 1.0
O D:GLY3304 2.5 11.3 1.0
OD2 D:ASP3331 2.6 14.2 1.0
O D:HOH2061 2.7 13.5 1.0
C D:PRO3354 3.5 10.4 1.0
CG D:ASP3331 3.5 9.3 1.0
C D:ASP3300 3.6 10.9 1.0
C D:GLY3304 3.6 11.1 1.0
CA D:GLY3355 4.0 8.8 1.0
N D:GLY3355 4.2 10.1 1.0
CA D:ASN3301 4.2 10.7 1.0
CB D:ASP3331 4.3 9.6 1.0
OD1 D:ASP3331 4.3 8.5 1.0
N D:ALA3305 4.3 10.7 1.0
N D:ASN3301 4.4 10.9 1.0
CA D:ALA3305 4.5 9.8 1.0
CA D:PRO3354 4.6 11.3 1.0
C D:ASN3301 4.6 10.5 1.0
O D:LYS3303 4.6 11.9 1.0
N D:GLY3304 4.6 11.4 1.0
CA D:ASP3300 4.6 9.8 1.0
C D:LYS3303 4.7 11.4 1.0
CA D:GLY3304 4.7 10.2 1.0
N D:ASP3300 4.7 9.2 1.0
CB D:ASP3300 4.7 9.5 1.0
O D:SER3333 4.9 12.8 1.0
O D:ASN3301 4.9 10.3 1.0
N D:TRP3302 5.0 12.0 1.0

Reference:

E.Rudino-Pinera, P.Tunnah, S.J.Crennell, R.G.Webster, W.G.Laver, E.F.Garman. The Crystal Structure of Type A Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate NEU5AC Binding Sites To Be Published.
Page generated: Fri Jul 12 09:32:37 2024

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