Calcium in PDB 4mc7: 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: 4mc7
was solved by
H.Yang,
P.J.Carney,
J.C.Chang,
Z.Guo,
J.Stevens,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
44.84 /
2.99
|
Space group
|
I 2 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
123.374,
164.358,
214.912,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
21.4 /
26
|
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 4mc7). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 5 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: 4mc7:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
Calcium binding site 1 out
of 5 in 4mc7
Go back to
Calcium Binding Sites List in 4mc7
Calcium binding site 1 out
of 5 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:Ca502
b:64.1
occ:1.00
|
O
|
A:GLY331
|
2.3
|
75.4
|
1.0
|
O
|
A:GLY329
|
2.3
|
96.4
|
1.0
|
O
|
A:ASP285
|
2.4
|
46.5
|
1.0
|
O
|
A:ASN281
|
2.6
|
52.9
|
1.0
|
OD2
|
A:ASP311
|
2.8
|
73.8
|
1.0
|
C
|
A:GLY329
|
3.2
|
68.8
|
1.0
|
CG
|
A:ASP311
|
3.4
|
87.0
|
1.0
|
C
|
A:GLY331
|
3.5
|
86.6
|
1.0
|
C
|
A:ASP285
|
3.6
|
53.8
|
1.0
|
C
|
A:ASN281
|
3.8
|
59.6
|
1.0
|
CA
|
A:GLY329
|
3.9
|
71.0
|
1.0
|
OD1
|
A:ASP311
|
3.9
|
64.0
|
1.0
|
CB
|
A:ASP311
|
4.1
|
85.7
|
1.0
|
N
|
A:GLU330
|
4.1
|
68.4
|
1.0
|
CA
|
A:GLY332
|
4.1
|
63.0
|
1.0
|
C
|
A:GLU330
|
4.2
|
84.5
|
1.0
|
CA
|
A:ALA286
|
4.3
|
67.9
|
1.0
|
N
|
A:GLY332
|
4.3
|
73.0
|
1.0
|
N
|
A:GLY331
|
4.3
|
71.8
|
1.0
|
N
|
A:ALA286
|
4.3
|
52.3
|
1.0
|
O
|
A:GLU328
|
4.3
|
0.5
|
1.0
|
CA
|
A:GLU330
|
4.4
|
81.9
|
1.0
|
CA
|
A:LEU282
|
4.4
|
58.1
|
1.0
|
O
|
A:GLU330
|
4.5
|
78.9
|
1.0
|
O
|
A:PRO313
|
4.5
|
74.3
|
1.0
|
CA
|
A:GLY331
|
4.6
|
72.7
|
1.0
|
N
|
A:LEU282
|
4.6
|
52.7
|
1.0
|
CA
|
A:ASP285
|
4.7
|
64.0
|
1.0
|
N
|
A:ASP285
|
4.7
|
58.0
|
1.0
|
C
|
A:LEU282
|
4.8
|
69.4
|
1.0
|
CA
|
A:ASN281
|
4.9
|
48.0
|
1.0
|
|
Calcium binding site 2 out
of 5 in 4mc7
Go back to
Calcium Binding Sites List in 4mc7
Calcium binding site 2 out
of 5 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
|
A:Ca503
b:65.7
occ:1.00
|
OD2
|
D:ASP160
|
2.1
|
0.2
|
1.0
|
OD2
|
A:ASP160
|
2.1
|
0.7
|
1.0
|
OD2
|
B:ASP160
|
2.1
|
0.1
|
1.0
|
OD2
|
C:ASP160
|
2.2
|
0.3
|
1.0
|
CG
|
D:ASP160
|
3.2
|
0.1
|
1.0
|
CG
|
B:ASP160
|
3.2
|
0.2
|
1.0
|
CG
|
C:ASP160
|
3.3
|
0.1
|
1.0
|
CG
|
A:ASP160
|
3.3
|
93.9
|
1.0
|
CB
|
C:ASP160
|
3.8
|
97.1
|
1.0
|
CB
|
B:ASP160
|
3.8
|
0.4
|
1.0
|
CB
|
D:ASP160
|
3.9
|
91.0
|
1.0
|
CB
|
A:ASP160
|
4.0
|
88.8
|
1.0
|
OD1
|
D:ASP160
|
4.2
|
0.8
|
1.0
|
OD1
|
A:ASP160
|
4.2
|
0.3
|
1.0
|
OD1
|
B:ASP160
|
4.3
|
0.7
|
1.0
|
OD1
|
C:ASP160
|
4.3
|
0.1
|
1.0
|
|
Calcium binding site 3 out
of 5 in 4mc7
Go back to
Calcium Binding Sites List in 4mc7
Calcium binding site 3 out
of 5 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
|
B:Ca502
b:43.0
occ:1.00
|
O
|
B:GLY331
|
2.3
|
68.4
|
1.0
|
O
|
B:GLY329
|
2.4
|
78.8
|
1.0
|
O
|
B:ASN281
|
2.6
|
62.2
|
1.0
|
O
|
B:ASP285
|
2.6
|
52.1
|
1.0
|
OD2
|
B:ASP311
|
2.8
|
62.6
|
1.0
|
CG
|
B:ASP311
|
3.3
|
61.4
|
1.0
|
C
|
B:GLY329
|
3.4
|
48.5
|
1.0
|
C
|
B:GLY331
|
3.4
|
63.2
|
1.0
|
C
|
B:ASP285
|
3.7
|
44.5
|
1.0
|
OD1
|
B:ASP311
|
3.8
|
50.0
|
1.0
|
C
|
B:ASN281
|
3.8
|
58.7
|
1.0
|
CA
|
B:GLY332
|
4.0
|
53.6
|
1.0
|
CB
|
B:ASP311
|
4.1
|
64.0
|
1.0
|
C
|
B:GLU330
|
4.1
|
50.9
|
1.0
|
CA
|
B:GLY329
|
4.1
|
48.4
|
1.0
|
N
|
B:GLY332
|
4.2
|
55.5
|
1.0
|
N
|
B:GLU330
|
4.2
|
45.2
|
1.0
|
N
|
B:GLY331
|
4.3
|
48.5
|
1.0
|
CA
|
B:LEU282
|
4.4
|
51.9
|
1.0
|
O
|
B:GLU330
|
4.4
|
48.2
|
1.0
|
CA
|
B:GLU330
|
4.4
|
52.2
|
1.0
|
CA
|
B:ALA286
|
4.4
|
51.9
|
1.0
|
O
|
B:GLU328
|
4.4
|
61.3
|
1.0
|
N
|
B:ALA286
|
4.5
|
44.0
|
1.0
|
CA
|
B:GLY331
|
4.5
|
66.3
|
1.0
|
O
|
B:PRO313
|
4.5
|
61.0
|
1.0
|
N
|
B:LEU282
|
4.6
|
42.7
|
1.0
|
C
|
B:LEU282
|
4.7
|
52.3
|
1.0
|
N
|
B:ASP285
|
4.8
|
61.8
|
1.0
|
CA
|
B:ASP285
|
4.8
|
52.6
|
1.0
|
CA
|
B:ASN281
|
4.9
|
56.1
|
1.0
|
|
Calcium binding site 4 out
of 5 in 4mc7
Go back to
Calcium Binding Sites List in 4mc7
Calcium binding site 4 out
of 5 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
|
C:Ca502
b:63.0
occ:1.00
|
O
|
C:GLY329
|
2.3
|
0.3
|
1.0
|
O
|
C:ASN281
|
2.4
|
70.7
|
1.0
|
O
|
C:GLY331
|
2.4
|
0.2
|
1.0
|
O
|
C:ASP285
|
2.4
|
78.0
|
1.0
|
OD2
|
C:ASP311
|
2.7
|
73.1
|
1.0
|
C
|
C:GLY329
|
3.3
|
0.3
|
1.0
|
CG
|
C:ASP311
|
3.4
|
75.0
|
1.0
|
C
|
C:ASP285
|
3.6
|
90.4
|
1.0
|
C
|
C:ASN281
|
3.6
|
76.9
|
1.0
|
C
|
C:GLY331
|
3.6
|
0.4
|
1.0
|
OD1
|
C:ASP311
|
4.0
|
67.5
|
1.0
|
CA
|
C:GLY329
|
4.0
|
0.0
|
1.0
|
N
|
C:GLU330
|
4.2
|
87.2
|
1.0
|
CB
|
C:ASP311
|
4.2
|
78.2
|
1.0
|
CA
|
C:LEU282
|
4.2
|
75.3
|
1.0
|
C
|
C:GLU330
|
4.2
|
91.5
|
1.0
|
CA
|
C:GLY332
|
4.2
|
87.4
|
1.0
|
N
|
C:ALA286
|
4.3
|
82.7
|
1.0
|
CA
|
C:ALA286
|
4.3
|
87.3
|
1.0
|
N
|
C:GLY331
|
4.3
|
92.1
|
1.0
|
N
|
C:LEU282
|
4.4
|
66.0
|
1.0
|
CA
|
C:GLU330
|
4.4
|
90.4
|
1.0
|
N
|
C:GLY332
|
4.4
|
95.1
|
1.0
|
O
|
C:GLU328
|
4.5
|
0.6
|
1.0
|
O
|
C:GLU330
|
4.5
|
99.7
|
1.0
|
C
|
C:LEU282
|
4.6
|
80.7
|
1.0
|
N
|
C:ASP285
|
4.6
|
96.7
|
1.0
|
CA
|
C:ASP285
|
4.6
|
91.8
|
1.0
|
CA
|
C:GLY331
|
4.6
|
0.3
|
1.0
|
CA
|
C:ASN281
|
4.7
|
77.9
|
1.0
|
O
|
C:PRO313
|
4.7
|
93.4
|
1.0
|
N
|
C:TRP283
|
4.8
|
77.1
|
1.0
|
CB
|
C:ASN281
|
4.9
|
83.5
|
1.0
|
N
|
C:ASN281
|
4.9
|
91.1
|
1.0
|
|
Calcium binding site 5 out
of 5 in 4mc7
Go back to
Calcium Binding Sites List in 4mc7
Calcium binding site 5 out
of 5 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 5 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:Ca502
b:68.2
occ:1.00
|
O
|
D:GLY331
|
2.4
|
99.8
|
1.0
|
O
|
D:GLY329
|
2.4
|
99.3
|
1.0
|
O
|
D:ASP285
|
2.5
|
78.9
|
1.0
|
O
|
D:ASN281
|
2.7
|
69.5
|
1.0
|
OD2
|
D:ASP311
|
2.8
|
92.7
|
1.0
|
C
|
D:GLY329
|
3.3
|
85.9
|
1.0
|
CG
|
D:ASP311
|
3.3
|
84.9
|
1.0
|
C
|
D:GLY331
|
3.6
|
0.1
|
1.0
|
C
|
D:ASP285
|
3.6
|
86.2
|
1.0
|
C
|
D:ASN281
|
3.9
|
74.8
|
1.0
|
OD1
|
D:ASP311
|
4.0
|
67.2
|
1.0
|
CB
|
D:ASP311
|
4.0
|
76.6
|
1.0
|
CA
|
D:GLY329
|
4.0
|
85.7
|
1.0
|
CA
|
D:GLY332
|
4.2
|
93.7
|
1.0
|
CA
|
D:ALA286
|
4.2
|
91.3
|
1.0
|
N
|
D:GLU330
|
4.2
|
77.2
|
1.0
|
C
|
D:GLU330
|
4.2
|
95.9
|
1.0
|
N
|
D:ALA286
|
4.3
|
83.1
|
1.0
|
N
|
D:GLY332
|
4.3
|
96.4
|
1.0
|
O
|
D:GLU328
|
4.3
|
0.8
|
1.0
|
N
|
D:GLY331
|
4.4
|
0.8
|
1.0
|
O
|
D:PRO313
|
4.4
|
86.3
|
1.0
|
CA
|
D:GLU330
|
4.5
|
78.9
|
1.0
|
CA
|
D:LEU282
|
4.5
|
74.1
|
1.0
|
O
|
D:GLU330
|
4.5
|
0.1
|
1.0
|
CA
|
D:GLY331
|
4.6
|
0.6
|
1.0
|
N
|
D:LEU282
|
4.6
|
72.9
|
1.0
|
CA
|
D:ASP285
|
4.7
|
89.2
|
1.0
|
N
|
D:ASP285
|
4.8
|
87.6
|
1.0
|
C
|
D:LEU282
|
4.8
|
80.3
|
1.0
|
CA
|
D:ASN281
|
4.9
|
78.3
|
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 10:19:40 2024
|