Calcium in PDB 6lxj: Crystal Structure of Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9)
Enzymatic activity of Crystal Structure of Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9)
All present enzymatic activity of Crystal Structure of Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9):
3.2.1.18;
Protein crystallography data
The structure of Crystal Structure of Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9), PDB code: 6lxj
was solved by
H.Jiang,
W.Peng,
J.Qi,
Y.Chai,
H.Song,
Y.Shi,
G.F.Gao,
Y.Wu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.91 /
2.90
|
Space group
|
C 2 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
201.307,
207.514,
207.702,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
19.3 /
24.1
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9)
(pdb code 6lxj). 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 Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9), PDB code: 6lxj:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 6lxj
Go back to
Calcium Binding Sites List in 6lxj
Calcium binding site 1 out
of 4 in the Crystal Structure of Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9)
 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 Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca502
b:65.9
occ:1.00
|
O
|
A:GLY298
|
2.3
|
44.1
|
1.0
|
O
|
A:ASP294
|
2.6
|
33.3
|
1.0
|
O
|
A:ASN344A
|
2.6
|
43.5
|
1.0
|
OD2
|
A:ASP324
|
3.3
|
36.9
|
1.0
|
C
|
A:GLY298
|
3.5
|
38.2
|
1.0
|
CG
|
A:ASP324
|
3.6
|
34.1
|
1.0
|
C
|
A:ASN344A
|
3.8
|
39.2
|
1.0
|
C
|
A:ASP294
|
3.8
|
35.3
|
1.0
|
CA
|
A:GLY345
|
3.9
|
31.2
|
1.0
|
OD1
|
A:ASP324
|
4.1
|
30.8
|
1.0
|
CA
|
A:SER299
|
4.1
|
30.9
|
1.0
|
N
|
A:SER299
|
4.2
|
33.6
|
1.0
|
CB
|
A:ASP324
|
4.2
|
30.1
|
1.0
|
N
|
A:GLY345
|
4.3
|
35.0
|
1.0
|
OG
|
A:SER299
|
4.4
|
43.5
|
1.0
|
CA
|
A:ASN295
|
4.5
|
34.8
|
1.0
|
N
|
A:ASN295
|
4.6
|
32.2
|
1.0
|
O
|
A:PRO326
|
4.6
|
34.7
|
1.0
|
CA
|
A:GLY298
|
4.6
|
36.3
|
1.0
|
N
|
A:GLY298
|
4.6
|
43.6
|
1.0
|
O
|
A:ASN342
|
4.7
|
39.2
|
1.0
|
CB
|
A:SER299
|
4.8
|
38.5
|
1.0
|
CA
|
A:ASP294
|
4.8
|
39.2
|
1.0
|
C
|
A:ASN295
|
4.8
|
40.3
|
1.0
|
CB
|
A:ASP294
|
4.9
|
40.6
|
1.0
|
N
|
A:ASN344A
|
5.0
|
44.2
|
1.0
|
|
Calcium binding site 2 out
of 4 in 6lxj
Go back to
Calcium Binding Sites List in 6lxj
Calcium binding site 2 out
of 4 in the Crystal Structure of Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9)
 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 Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca502
b:79.5
occ:1.00
|
O
|
B:GLY298
|
2.6
|
52.6
|
1.0
|
O
|
B:ASN344A
|
2.7
|
62.2
|
1.0
|
O
|
B:ASP294
|
3.3
|
45.6
|
1.0
|
C
|
B:GLY298
|
3.6
|
49.2
|
1.0
|
OD2
|
B:ASP324
|
3.6
|
46.9
|
1.0
|
C
|
B:ASN344A
|
3.9
|
56.5
|
1.0
|
OG
|
B:SER299
|
4.0
|
51.9
|
1.0
|
CA
|
B:SER299
|
4.1
|
49.8
|
1.0
|
O
|
B:ASN342
|
4.1
|
53.9
|
1.0
|
CG
|
B:ASP324
|
4.1
|
45.1
|
1.0
|
N
|
B:SER299
|
4.1
|
49.8
|
1.0
|
O
|
B:PRO326
|
4.2
|
41.8
|
1.0
|
CA
|
B:GLY345
|
4.3
|
41.8
|
1.0
|
N
|
B:GLY345
|
4.5
|
50.4
|
1.0
|
C
|
B:ASP294
|
4.5
|
44.7
|
1.0
|
CB
|
B:SER299
|
4.6
|
50.7
|
1.0
|
OD1
|
B:ASP324
|
4.6
|
42.8
|
1.0
|
CB
|
B:ASP324
|
4.7
|
42.2
|
1.0
|
CA
|
B:GLY298
|
4.8
|
50.7
|
1.0
|
C
|
B:ASN342
|
4.8
|
56.4
|
1.0
|
N
|
B:GLY298
|
4.8
|
52.0
|
1.0
|
O
|
B:TRP296
|
4.8
|
62.5
|
1.0
|
C
|
B:ASN295
|
4.8
|
56.6
|
1.0
|
CA
|
B:ASN295
|
4.8
|
49.6
|
1.0
|
CB
|
B:ASN342
|
4.9
|
51.9
|
1.0
|
N
|
B:ASN344A
|
4.9
|
52.4
|
1.0
|
|
Calcium binding site 3 out
of 4 in 6lxj
Go back to
Calcium Binding Sites List in 6lxj
Calcium binding site 3 out
of 4 in the Crystal Structure of Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9)
 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 Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca502
b:72.0
occ:1.00
|
O
|
C:ASP294
|
2.3
|
39.6
|
1.0
|
O
|
C:GLY298
|
2.3
|
54.3
|
1.0
|
O
|
C:ASN344A
|
2.9
|
48.2
|
1.0
|
OD2
|
C:ASP324
|
3.0
|
42.6
|
1.0
|
C
|
C:GLY298
|
3.5
|
43.8
|
1.0
|
C
|
C:ASP294
|
3.5
|
42.0
|
1.0
|
CG
|
C:ASP324
|
3.5
|
38.4
|
1.0
|
C
|
C:ASN344A
|
3.9
|
43.8
|
1.0
|
OD1
|
C:ASP324
|
4.0
|
33.9
|
1.0
|
CA
|
C:GLY345
|
4.1
|
39.0
|
1.0
|
CB
|
C:ASP324
|
4.2
|
34.6
|
1.0
|
CA
|
C:SER299
|
4.2
|
38.4
|
1.0
|
N
|
C:SER299
|
4.2
|
42.4
|
1.0
|
CA
|
C:ASN295
|
4.3
|
43.3
|
1.0
|
N
|
C:ASN295
|
4.3
|
40.7
|
1.0
|
N
|
C:GLY345
|
4.5
|
43.0
|
1.0
|
N
|
C:GLY298
|
4.5
|
43.4
|
1.0
|
CA
|
C:ASP294
|
4.5
|
39.1
|
1.0
|
CA
|
C:GLY298
|
4.5
|
40.8
|
1.0
|
CB
|
C:ASP294
|
4.6
|
44.7
|
1.0
|
C
|
C:ASN295
|
4.7
|
48.4
|
1.0
|
OG
|
C:SER299
|
4.7
|
45.2
|
1.0
|
O
|
C:ASN342
|
4.7
|
57.4
|
1.0
|
N
|
C:ASP294
|
4.8
|
34.7
|
1.0
|
O
|
C:PRO326
|
4.8
|
35.3
|
1.0
|
N
|
C:TRP296
|
4.9
|
48.2
|
1.0
|
N
|
C:ASN344A
|
5.0
|
47.6
|
1.0
|
|
Calcium binding site 4 out
of 4 in 6lxj
Go back to
Calcium Binding Sites List in 6lxj
Calcium binding site 4 out
of 4 in the Crystal Structure of Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9)
 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 Human Z2B3 Fab in Complex with Influenza Virus Neuraminidase From A/Anhui/1/2013 (H7N9) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca502
b:90.7
occ:1.00
|
O
|
D:GLY298
|
2.4
|
47.3
|
1.0
|
O
|
D:ASN344A
|
2.8
|
56.0
|
1.0
|
O
|
D:ASP294
|
2.9
|
43.7
|
1.0
|
C
|
D:GLY298
|
3.4
|
41.0
|
1.0
|
OD2
|
D:ASP324
|
3.4
|
39.5
|
1.0
|
CG
|
D:ASP324
|
3.9
|
39.6
|
1.0
|
O
|
D:ASN342
|
4.0
|
54.6
|
1.0
|
C
|
D:ASN344A
|
4.0
|
47.0
|
1.0
|
CA
|
D:SER299
|
4.0
|
38.4
|
1.0
|
N
|
D:SER299
|
4.0
|
39.5
|
1.0
|
C
|
D:ASP294
|
4.1
|
44.6
|
1.0
|
OG
|
D:SER299
|
4.1
|
45.8
|
1.0
|
OD1
|
D:ASP324
|
4.3
|
36.4
|
1.0
|
N
|
D:GLY298
|
4.4
|
44.3
|
1.0
|
CA
|
D:GLY345
|
4.4
|
36.9
|
1.0
|
OD1
|
D:ASN295
|
4.4
|
52.9
|
1.0
|
CA
|
D:GLY298
|
4.4
|
40.3
|
1.0
|
O
|
D:PRO326
|
4.5
|
37.7
|
1.0
|
CB
|
D:ASP324
|
4.5
|
35.0
|
1.0
|
CA
|
D:ASN295
|
4.6
|
46.7
|
1.0
|
CB
|
D:SER299
|
4.6
|
39.7
|
1.0
|
N
|
D:GLY345
|
4.7
|
43.2
|
1.0
|
C
|
D:GLN297
|
4.8
|
47.4
|
1.0
|
N
|
D:ASN295
|
4.8
|
46.8
|
1.0
|
N
|
D:ASN344A
|
4.9
|
50.4
|
1.0
|
O
|
D:GLN297
|
5.0
|
46.3
|
1.0
|
C
|
D:ASN342
|
5.0
|
54.0
|
1.0
|
|
Reference:
H.Jiang,
W.Peng,
J.Qi,
Y.Chai,
H.Song,
Y.Bi,
P.Rijal,
H.Wang,
B.O.Oladejo,
J.Liu,
Y.Shi,
G.F.Gao,
A.R.Townsend,
Y.Wu.
Structure-Based Modification of An Anti-Neuraminidase Human Antibody Restores Protection Efficacy Against the Drifted Influenza Virus. Mbio V. 11 2020.
ISSN: ESSN 2150-7511
PubMed: 33024040
DOI: 10.1128/MBIO.02315-20
Page generated: Tue Jul 16 11:08:01 2024
|