Calcium in PDB 4k3y: Crystal Structure of A Subtype N11 Neuraminidase-Like Protein of A/Flat-Faced Bat/Peru/033/2010 (H18N11)
Protein crystallography data
The structure of Crystal Structure of A Subtype N11 Neuraminidase-Like Protein of A/Flat-Faced Bat/Peru/033/2010 (H18N11), PDB code: 4k3y
was solved by
X.Zhu,
I.A.Wilson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.87 /
2.68
|
Space group
|
P 61
|
Cell size a, b, c (Å), α, β, γ (°)
|
181.290,
181.290,
136.597,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
17.8 /
22
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of A Subtype N11 Neuraminidase-Like Protein of A/Flat-Faced Bat/Peru/033/2010 (H18N11)
(pdb code 4k3y). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
Crystal Structure of A Subtype N11 Neuraminidase-Like Protein of A/Flat-Faced Bat/Peru/033/2010 (H18N11), PDB code: 4k3y:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 4k3y
Go back to
Calcium Binding Sites List in 4k3y
Calcium binding site 1 out
of 4 in the Crystal Structure of A Subtype N11 Neuraminidase-Like Protein of A/Flat-Faced Bat/Peru/033/2010 (H18N11)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of A Subtype N11 Neuraminidase-Like Protein of A/Flat-Faced Bat/Peru/033/2010 (H18N11) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca604
b:68.2
occ:1.00
|
O
|
A:ASP297
|
2.8
|
71.7
|
1.0
|
O
|
A:ASN293
|
2.8
|
61.0
|
1.0
|
O
|
A:GLY347
|
2.8
|
58.8
|
1.0
|
O
|
A:GLY345
|
3.0
|
80.0
|
1.0
|
OD2
|
A:ASP324
|
3.0
|
74.7
|
1.0
|
C
|
A:GLY345
|
3.4
|
65.3
|
1.0
|
CG
|
A:ASP324
|
3.6
|
62.0
|
1.0
|
C
|
A:ASP297
|
3.6
|
60.2
|
1.0
|
C
|
A:GLY347
|
3.7
|
61.5
|
1.0
|
CA
|
A:GLY345
|
3.8
|
59.9
|
1.0
|
O
|
A:GLU346
|
4.0
|
63.7
|
1.0
|
CB
|
A:ASP324
|
4.0
|
56.4
|
1.0
|
C
|
A:GLU346
|
4.1
|
58.1
|
1.0
|
C
|
A:ASN293
|
4.1
|
59.3
|
1.0
|
N
|
A:GLU346
|
4.1
|
62.2
|
1.0
|
CA
|
A:ALA298
|
4.2
|
65.9
|
1.0
|
N
|
A:ALA298
|
4.2
|
65.3
|
1.0
|
CA
|
A:GLY348
|
4.2
|
47.1
|
1.0
|
O
|
A:GLU344
|
4.2
|
87.5
|
1.0
|
O
|
A:PRO326
|
4.3
|
67.1
|
1.0
|
N
|
A:GLY348
|
4.3
|
50.6
|
1.0
|
O
|
A:HOH724
|
4.4
|
65.0
|
1.0
|
OD1
|
A:ASP324
|
4.4
|
65.1
|
1.0
|
N
|
A:GLY347
|
4.4
|
56.0
|
1.0
|
N
|
A:ASP297
|
4.5
|
49.4
|
1.0
|
CA
|
A:GLU346
|
4.5
|
59.9
|
1.0
|
CA
|
A:GLY347
|
4.6
|
60.3
|
1.0
|
CA
|
A:ASP297
|
4.6
|
61.2
|
1.0
|
CA
|
A:LEU294
|
4.7
|
50.0
|
1.0
|
N
|
A:LEU294
|
4.9
|
51.2
|
1.0
|
N
|
A:GLY345
|
4.9
|
74.3
|
1.0
|
C
|
A:LEU294
|
5.0
|
52.9
|
1.0
|
C
|
A:GLU344
|
5.0
|
78.7
|
1.0
|
|
Calcium binding site 2 out
of 4 in 4k3y
Go back to
Calcium Binding Sites List in 4k3y
Calcium binding site 2 out
of 4 in the Crystal Structure of A Subtype N11 Neuraminidase-Like Protein of A/Flat-Faced Bat/Peru/033/2010 (H18N11)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of A Subtype N11 Neuraminidase-Like Protein of A/Flat-Faced Bat/Peru/033/2010 (H18N11) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca605
b:68.3
occ:1.00
|
O
|
B:ASN293
|
2.8
|
56.0
|
1.0
|
O
|
B:GLY347
|
2.9
|
81.8
|
1.0
|
O
|
B:ASP297
|
3.0
|
60.3
|
1.0
|
O
|
B:GLY345
|
3.0
|
82.7
|
1.0
|
OD2
|
B:ASP324
|
3.0
|
69.8
|
1.0
|
C
|
B:GLY345
|
3.4
|
66.5
|
1.0
|
CG
|
B:ASP324
|
3.6
|
65.8
|
1.0
|
C
|
B:GLY347
|
3.6
|
67.2
|
1.0
|
CA
|
B:GLY345
|
3.7
|
54.1
|
1.0
|
C
|
B:ASP297
|
3.7
|
56.7
|
1.0
|
O
|
B:GLU344
|
3.9
|
66.9
|
1.0
|
CA
|
B:GLY348
|
3.9
|
57.0
|
1.0
|
C
|
B:ASN293
|
4.0
|
65.5
|
1.0
|
CB
|
B:ASP324
|
4.0
|
60.7
|
1.0
|
CA
|
B:ALA298
|
4.1
|
64.3
|
1.0
|
O
|
B:PRO326
|
4.1
|
61.9
|
1.0
|
N
|
B:GLY348
|
4.1
|
69.7
|
1.0
|
O
|
B:GLU346
|
4.2
|
65.4
|
1.0
|
N
|
B:ALA298
|
4.2
|
62.7
|
1.0
|
C
|
B:GLU346
|
4.2
|
61.0
|
1.0
|
N
|
B:GLU346
|
4.2
|
69.8
|
1.0
|
OD1
|
B:ASP324
|
4.3
|
59.8
|
1.0
|
N
|
B:GLY347
|
4.4
|
56.7
|
1.0
|
O
|
B:HOH705
|
4.5
|
56.9
|
1.0
|
CA
|
B:GLY347
|
4.6
|
61.0
|
1.0
|
N
|
B:ASP297
|
4.6
|
63.8
|
1.0
|
CA
|
B:LEU294
|
4.6
|
62.7
|
1.0
|
CA
|
B:GLU346
|
4.6
|
73.8
|
1.0
|
N
|
B:GLY345
|
4.7
|
56.3
|
1.0
|
C
|
B:GLU344
|
4.7
|
64.3
|
1.0
|
CA
|
B:ASP297
|
4.7
|
65.8
|
1.0
|
N
|
B:LEU294
|
4.8
|
58.4
|
1.0
|
CD
|
B:PRO326
|
4.9
|
50.8
|
1.0
|
CB
|
B:ALA298
|
4.9
|
65.3
|
1.0
|
C
|
B:LEU294
|
4.9
|
63.4
|
1.0
|
|
Calcium binding site 3 out
of 4 in 4k3y
Go back to
Calcium Binding Sites List in 4k3y
Calcium binding site 3 out
of 4 in the Crystal Structure of A Subtype N11 Neuraminidase-Like Protein of A/Flat-Faced Bat/Peru/033/2010 (H18N11)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of A Subtype N11 Neuraminidase-Like Protein of A/Flat-Faced Bat/Peru/033/2010 (H18N11) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca608
b:73.0
occ:1.00
|
O
|
C:GLY347
|
2.8
|
66.2
|
1.0
|
O
|
C:ASN293
|
2.8
|
52.2
|
1.0
|
O
|
C:ASP297
|
2.9
|
71.7
|
1.0
|
O
|
C:GLY345
|
3.0
|
78.0
|
1.0
|
OD2
|
C:ASP324
|
3.1
|
80.8
|
1.0
|
C
|
C:GLY345
|
3.4
|
60.9
|
1.0
|
CG
|
C:ASP324
|
3.5
|
70.5
|
1.0
|
C
|
C:GLY347
|
3.6
|
61.3
|
1.0
|
CA
|
C:GLY345
|
3.7
|
64.1
|
1.0
|
C
|
C:ASP297
|
3.8
|
62.4
|
1.0
|
CB
|
C:ASP324
|
3.9
|
58.2
|
1.0
|
CA
|
C:ALA298
|
4.0
|
49.1
|
1.0
|
C
|
C:ASN293
|
4.1
|
61.8
|
1.0
|
CA
|
C:GLY348
|
4.1
|
52.0
|
1.0
|
O
|
C:GLU344
|
4.1
|
82.5
|
1.0
|
O
|
C:GLU346
|
4.1
|
70.7
|
1.0
|
O
|
C:PRO326
|
4.1
|
54.3
|
1.0
|
C
|
C:GLU346
|
4.2
|
64.1
|
1.0
|
OD1
|
C:ASP324
|
4.2
|
71.4
|
1.0
|
N
|
C:GLY348
|
4.2
|
58.8
|
1.0
|
N
|
C:ALA298
|
4.2
|
64.7
|
1.0
|
N
|
C:GLU346
|
4.3
|
49.5
|
1.0
|
N
|
C:GLY347
|
4.4
|
57.2
|
1.0
|
CA
|
C:GLY347
|
4.6
|
51.9
|
1.0
|
CA
|
C:LEU294
|
4.7
|
53.6
|
1.0
|
CA
|
C:GLU346
|
4.7
|
54.9
|
1.0
|
N
|
C:GLY345
|
4.8
|
61.9
|
1.0
|
CB
|
C:ALA298
|
4.8
|
50.2
|
1.0
|
N
|
C:LEU294
|
4.8
|
56.4
|
1.0
|
N
|
C:ASP297
|
4.9
|
51.5
|
1.0
|
C
|
C:GLU344
|
4.9
|
61.0
|
1.0
|
CA
|
C:ASP297
|
4.9
|
63.1
|
1.0
|
C
|
C:ALA298
|
4.9
|
58.4
|
1.0
|
CD
|
C:PRO326
|
5.0
|
65.2
|
1.0
|
|
Calcium binding site 4 out
of 4 in 4k3y
Go back to
Calcium Binding Sites List in 4k3y
Calcium binding site 4 out
of 4 in the Crystal Structure of A Subtype N11 Neuraminidase-Like Protein of A/Flat-Faced Bat/Peru/033/2010 (H18N11)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of A Subtype N11 Neuraminidase-Like Protein of A/Flat-Faced Bat/Peru/033/2010 (H18N11) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca604
b:0.1
occ:1.00
|
O
|
D:ASN293
|
1.9
|
0.3
|
1.0
|
O
|
D:ASP297
|
2.4
|
0.5
|
1.0
|
OD2
|
D:ASP324
|
2.5
|
91.8
|
1.0
|
O
|
D:GLY347
|
2.8
|
0.8
|
1.0
|
O
|
D:GLY345
|
2.9
|
0.2
|
1.0
|
C
|
D:ASN293
|
3.2
|
0.4
|
1.0
|
CG
|
D:ASP324
|
3.4
|
0.0
|
1.0
|
C
|
D:ASP297
|
3.5
|
0.0
|
1.0
|
C
|
D:GLY345
|
3.7
|
0.5
|
1.0
|
C
|
D:GLY347
|
3.8
|
0.9
|
1.0
|
N
|
D:LEU294
|
4.1
|
89.9
|
1.0
|
CA
|
D:GLY348
|
4.1
|
0.1
|
1.0
|
CA
|
D:LEU294
|
4.1
|
92.1
|
1.0
|
OD1
|
D:ASP324
|
4.2
|
98.5
|
1.0
|
CA
|
D:ALA298
|
4.2
|
0.8
|
1.0
|
CA
|
D:ASN293
|
4.2
|
0.9
|
1.0
|
CB
|
D:ASP324
|
4.2
|
98.6
|
1.0
|
N
|
D:ALA298
|
4.3
|
98.4
|
1.0
|
CA
|
D:GLY345
|
4.3
|
0.2
|
1.0
|
CB
|
D:ASN293
|
4.4
|
0.1
|
1.0
|
N
|
D:GLY348
|
4.4
|
0.6
|
1.0
|
N
|
D:ASN293
|
4.5
|
0.1
|
1.0
|
C
|
D:GLU346
|
4.5
|
0.7
|
1.0
|
N
|
D:ASP297
|
4.5
|
0.9
|
1.0
|
C
|
D:LEU294
|
4.6
|
95.4
|
1.0
|
CA
|
D:ASP297
|
4.6
|
0.3
|
1.0
|
O
|
D:GLU346
|
4.6
|
0.6
|
1.0
|
N
|
D:GLU346
|
4.7
|
0.2
|
1.0
|
N
|
D:GLY347
|
4.7
|
0.3
|
1.0
|
O
|
D:GLU344
|
4.8
|
0.9
|
1.0
|
N
|
D:TRP295
|
4.8
|
99.9
|
1.0
|
CA
|
D:GLY347
|
4.9
|
0.7
|
1.0
|
CA
|
D:GLU346
|
4.9
|
0.8
|
1.0
|
|
Reference:
S.Tong,
X.Zhu,
Y.Li,
M.Shi,
J.Zhang,
M.Bourgeois,
H.Yang,
X.Chen,
S.Recuenco,
J.Gomez,
L.M.Chen,
A.Johnson,
Y.Tao,
C.Dreyfus,
W.Yu,
R.Mcbride,
P.J.Carney,
A.T.Gilbert,
J.Chang,
Z.Guo,
C.T.Davis,
J.C.Paulson,
J.Stevens,
C.E.Rupprecht,
E.C.Holmes,
I.A.Wilson,
R.O.Donis.
New World Bats Harbor Diverse Influenza A Viruses. Plos Pathog. V. 9 03657 2013.
ISSN: ISSN 1553-7366
PubMed: 24130481
DOI: 10.1371/JOURNAL.PPAT.1003657
Page generated: Sun Jul 14 08:50:18 2024
|