Sodium in PDB 8pxt: Targeting Extended Blood Antigens By Akkermansia Muciniphila Enzymes Unveils A Missing Link For Generating Universal Donor Blood
Protein crystallography data
The structure of Targeting Extended Blood Antigens By Akkermansia Muciniphila Enzymes Unveils A Missing Link For Generating Universal Donor Blood, PDB code: 8pxt
was solved by
M.Jensen,
M.Abou Hachem,
J.P.Morth,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
62.32 /
2.25
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
92.23,
169.06,
171.97,
90,
90,
90
|
R / Rfree (%)
|
18 /
21
|
Other elements in 8pxt:
The structure of Targeting Extended Blood Antigens By Akkermansia Muciniphila Enzymes Unveils A Missing Link For Generating Universal Donor Blood also contains other interesting chemical elements:
Sodium Binding Sites:
The binding sites of Sodium atom in the Targeting Extended Blood Antigens By Akkermansia Muciniphila Enzymes Unveils A Missing Link For Generating Universal Donor Blood
(pdb code 8pxt). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the
Targeting Extended Blood Antigens By Akkermansia Muciniphila Enzymes Unveils A Missing Link For Generating Universal Donor Blood, PDB code: 8pxt:
Jump to Sodium binding site number:
1;
2;
3;
4;
Sodium binding site 1 out
of 4 in 8pxt
Go back to
Sodium Binding Sites List in 8pxt
Sodium binding site 1 out
of 4 in the Targeting Extended Blood Antigens By Akkermansia Muciniphila Enzymes Unveils A Missing Link For Generating Universal Donor Blood
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Targeting Extended Blood Antigens By Akkermansia Muciniphila Enzymes Unveils A Missing Link For Generating Universal Donor Blood within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na704
b:54.9
occ:1.00
|
OE2
|
A:GLU450
|
2.5
|
51.4
|
1.0
|
O
|
A:HOH936
|
2.6
|
65.4
|
1.0
|
HG3
|
A:GLU450
|
3.2
|
57.4
|
1.0
|
CD
|
A:GLU450
|
3.4
|
47.1
|
1.0
|
HG2
|
A:GLU450
|
3.5
|
57.4
|
1.0
|
CG
|
A:GLU450
|
3.6
|
47.8
|
1.0
|
OE1
|
A:GLU450
|
4.6
|
43.9
|
1.0
|
|
Sodium binding site 2 out
of 4 in 8pxt
Go back to
Sodium Binding Sites List in 8pxt
Sodium binding site 2 out
of 4 in the Targeting Extended Blood Antigens By Akkermansia Muciniphila Enzymes Unveils A Missing Link For Generating Universal Donor Blood
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Targeting Extended Blood Antigens By Akkermansia Muciniphila Enzymes Unveils A Missing Link For Generating Universal Donor Blood within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na705
b:73.0
occ:1.00
|
H
|
A:ALA20
|
2.5
|
93.2
|
1.0
|
OG
|
A:SER91
|
2.5
|
68.0
|
1.0
|
O
|
A:THR138
|
2.5
|
76.8
|
1.0
|
O
|
A:ILE135
|
2.7
|
71.5
|
1.0
|
HE2
|
A:PHE140
|
2.9
|
77.1
|
1.0
|
HB
|
A:ILE135
|
3.0
|
84.4
|
1.0
|
HA
|
A:PRO139
|
3.1
|
97.4
|
1.0
|
HA
|
A:PRO19
|
3.2
|
107.5
|
1.0
|
HB2
|
A:PRO19
|
3.2
|
102.0
|
1.0
|
N
|
A:ALA20
|
3.3
|
77.6
|
1.0
|
HD2
|
A:PHE140
|
3.3
|
79.1
|
1.0
|
HB3
|
A:SER91
|
3.3
|
79.5
|
1.0
|
HB3
|
A:PRO19
|
3.4
|
102.0
|
1.0
|
CE2
|
A:PHE140
|
3.4
|
64.2
|
1.0
|
CB
|
A:SER91
|
3.5
|
66.2
|
1.0
|
C
|
A:THR138
|
3.6
|
77.5
|
1.0
|
HB3
|
A:ALA20
|
3.6
|
89.2
|
1.0
|
CB
|
A:PRO19
|
3.6
|
84.9
|
1.0
|
CD2
|
A:PHE140
|
3.6
|
65.8
|
1.0
|
CA
|
A:PRO19
|
3.7
|
89.5
|
1.0
|
C
|
A:ILE135
|
3.8
|
68.8
|
1.0
|
CA
|
A:PRO139
|
3.9
|
81.1
|
1.0
|
HB3
|
A:SER136
|
3.9
|
83.6
|
1.0
|
O
|
A:SER91
|
3.9
|
73.3
|
1.0
|
CB
|
A:ILE135
|
4.0
|
70.3
|
1.0
|
HB2
|
A:ALA20
|
4.0
|
89.2
|
1.0
|
C
|
A:PRO19
|
4.0
|
85.9
|
1.0
|
N
|
A:PRO139
|
4.1
|
85.0
|
1.0
|
CB
|
A:ALA20
|
4.1
|
74.3
|
1.0
|
C
|
A:SER91
|
4.1
|
74.6
|
1.0
|
HB2
|
A:SER91
|
4.1
|
79.5
|
1.0
|
HG22
|
A:ILE135
|
4.2
|
81.5
|
1.0
|
CA
|
A:ALA20
|
4.2
|
76.3
|
1.0
|
HA
|
A:SER92
|
4.3
|
98.1
|
1.0
|
H
|
A:THR138
|
4.3
|
92.3
|
1.0
|
CA
|
A:SER91
|
4.4
|
66.5
|
1.0
|
CA
|
A:ILE135
|
4.4
|
71.4
|
1.0
|
H
|
A:ILE135
|
4.5
|
86.9
|
1.0
|
H
|
A:PHE140
|
4.5
|
83.4
|
1.0
|
CZ
|
A:PHE140
|
4.5
|
61.3
|
1.0
|
CG2
|
A:ILE135
|
4.6
|
67.9
|
1.0
|
C
|
A:PRO139
|
4.6
|
78.1
|
1.0
|
N
|
A:SER92
|
4.6
|
74.4
|
1.0
|
O
|
A:ALA20
|
4.7
|
73.2
|
1.0
|
N
|
A:THR138
|
4.7
|
76.9
|
1.0
|
CA
|
A:THR138
|
4.7
|
76.4
|
1.0
|
N
|
A:PHE140
|
4.7
|
69.5
|
1.0
|
HZ
|
A:PHE140
|
4.8
|
73.6
|
1.0
|
CG
|
A:PHE140
|
4.8
|
63.9
|
1.0
|
CB
|
A:SER136
|
4.8
|
69.6
|
1.0
|
HG21
|
A:ILE135
|
4.8
|
81.5
|
1.0
|
HB3
|
A:PRO139
|
4.9
|
105.0
|
1.0
|
N
|
A:ILE135
|
4.9
|
72.4
|
1.0
|
N
|
A:SER136
|
4.9
|
67.9
|
1.0
|
HA
|
A:SER91
|
4.9
|
79.9
|
1.0
|
HG12
|
A:ILE135
|
4.9
|
84.7
|
1.0
|
CA
|
A:SER92
|
4.9
|
81.7
|
1.0
|
CG1
|
A:ILE135
|
4.9
|
70.5
|
1.0
|
C
|
A:ALA20
|
5.0
|
80.1
|
1.0
|
HG13
|
A:ILE135
|
5.0
|
84.7
|
1.0
|
HB2
|
A:SER136
|
5.0
|
83.6
|
1.0
|
|
Sodium binding site 3 out
of 4 in 8pxt
Go back to
Sodium Binding Sites List in 8pxt
Sodium binding site 3 out
of 4 in the Targeting Extended Blood Antigens By Akkermansia Muciniphila Enzymes Unveils A Missing Link For Generating Universal Donor Blood
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Targeting Extended Blood Antigens By Akkermansia Muciniphila Enzymes Unveils A Missing Link For Generating Universal Donor Blood within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na703
b:59.9
occ:1.00
|
OG1
|
C:THR625
|
2.5
|
48.7
|
1.0
|
O
|
C:ASN589
|
2.5
|
49.3
|
1.0
|
HB
|
C:THR625
|
2.9
|
57.1
|
1.0
|
CB
|
C:THR625
|
3.2
|
47.9
|
1.0
|
HB3
|
C:TYR587
|
3.2
|
55.2
|
1.0
|
OG1
|
C:THR623
|
3.2
|
54.5
|
1.0
|
H
|
C:ASN589
|
3.3
|
54.1
|
1.0
|
HA
|
C:ASN589
|
3.3
|
57.5
|
1.0
|
O
|
C:THR623
|
3.3
|
48.6
|
1.0
|
HG1
|
C:THR623
|
3.3
|
65.5
|
1.0
|
C
|
C:ASN589
|
3.4
|
50.8
|
1.0
|
H
|
C:THR625
|
3.4
|
55.4
|
1.0
|
N
|
C:ASN589
|
3.5
|
45.3
|
1.0
|
O
|
C:TYR587
|
3.5
|
46.9
|
1.0
|
HB2
|
C:TYR587
|
3.6
|
55.2
|
1.0
|
CA
|
C:ASN589
|
3.6
|
47.8
|
1.0
|
N
|
C:THR625
|
3.6
|
46.5
|
1.0
|
HA
|
C:TYR624
|
3.7
|
54.7
|
1.0
|
CB
|
C:TYR587
|
3.8
|
46.0
|
1.0
|
C
|
C:THR623
|
3.9
|
46.3
|
1.0
|
C
|
C:TYR587
|
3.9
|
44.7
|
1.0
|
CA
|
C:THR625
|
4.0
|
48.5
|
1.0
|
C
|
C:TYR624
|
4.1
|
47.9
|
1.0
|
CA
|
C:TYR624
|
4.2
|
45.9
|
1.0
|
C
|
C:GLU588
|
4.3
|
46.1
|
1.0
|
N
|
C:TYR624
|
4.3
|
46.6
|
1.0
|
HA
|
C:GLU588
|
4.3
|
52.9
|
1.0
|
HG21
|
C:THR625
|
4.4
|
60.3
|
1.0
|
CB
|
C:THR623
|
4.4
|
47.7
|
1.0
|
CG2
|
C:THR625
|
4.4
|
50.2
|
1.0
|
N
|
C:GLU588
|
4.5
|
44.4
|
1.0
|
CA
|
C:TYR587
|
4.5
|
44.9
|
1.0
|
HB
|
C:THR623
|
4.6
|
57.0
|
1.0
|
CA
|
C:GLU588
|
4.6
|
44.3
|
1.0
|
HA
|
C:THR625
|
4.7
|
58.3
|
1.0
|
N
|
C:SER590
|
4.7
|
52.0
|
1.0
|
HA
|
C:SER590
|
4.8
|
63.5
|
1.0
|
CA
|
C:THR623
|
4.8
|
51.7
|
1.0
|
O
|
C:TYR624
|
4.8
|
48.2
|
1.0
|
HG23
|
C:THR625
|
5.0
|
60.3
|
1.0
|
|
Sodium binding site 4 out
of 4 in 8pxt
Go back to
Sodium Binding Sites List in 8pxt
Sodium binding site 4 out
of 4 in the Targeting Extended Blood Antigens By Akkermansia Muciniphila Enzymes Unveils A Missing Link For Generating Universal Donor Blood
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Targeting Extended Blood Antigens By Akkermansia Muciniphila Enzymes Unveils A Missing Link For Generating Universal Donor Blood within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na704
b:55.1
occ:1.00
|
O
|
C:HOH938
|
2.3
|
43.1
|
1.0
|
O
|
C:SER271
|
2.4
|
41.1
|
1.0
|
O
|
C:PRO268
|
2.4
|
41.9
|
1.0
|
O
|
C:HOH981
|
2.5
|
50.8
|
1.0
|
O
|
C:HOH963
|
2.5
|
52.3
|
1.0
|
HG1
|
C:THR274
|
3.1
|
55.2
|
1.0
|
OG1
|
C:THR274
|
3.4
|
45.9
|
1.0
|
HA
|
C:PHE269
|
3.5
|
51.9
|
1.0
|
C
|
C:PRO268
|
3.5
|
43.8
|
1.0
|
C
|
C:SER271
|
3.6
|
41.8
|
1.0
|
H
|
C:THR274
|
3.7
|
46.8
|
1.0
|
HB
|
C:THR274
|
3.7
|
50.6
|
1.0
|
HA
|
C:LEU272
|
3.8
|
47.1
|
1.0
|
H
|
C:SER271
|
3.8
|
48.5
|
1.0
|
CB
|
C:THR274
|
4.1
|
42.1
|
1.0
|
HB3
|
C:PRO268
|
4.1
|
55.6
|
1.0
|
CA
|
C:PHE269
|
4.2
|
43.2
|
1.0
|
N
|
C:PHE269
|
4.3
|
43.4
|
1.0
|
HB2
|
C:PRO268
|
4.3
|
55.6
|
1.0
|
CA
|
C:LEU272
|
4.4
|
39.5
|
1.0
|
C
|
C:LEU272
|
4.4
|
39.6
|
1.0
|
CA
|
C:PRO268
|
4.4
|
41.8
|
1.0
|
N
|
C:LEU272
|
4.4
|
39.5
|
1.0
|
N
|
C:THR274
|
4.5
|
39.0
|
1.0
|
N
|
C:SER271
|
4.5
|
40.4
|
1.0
|
CB
|
C:PRO268
|
4.5
|
46.3
|
1.0
|
HA
|
C:PRO268
|
4.5
|
50.2
|
1.0
|
O
|
C:LEU272
|
4.6
|
40.3
|
1.0
|
C
|
C:PHE269
|
4.6
|
43.6
|
1.0
|
CA
|
C:SER271
|
4.6
|
39.4
|
1.0
|
HB3
|
C:SER271
|
4.6
|
48.1
|
1.0
|
O
|
C:HOH880
|
4.7
|
40.0
|
1.0
|
N
|
C:LYS273
|
4.8
|
41.8
|
1.0
|
O
|
C:PHE269
|
4.9
|
39.5
|
1.0
|
CA
|
C:THR274
|
4.9
|
44.5
|
1.0
|
|
Reference:
M.Jensen,
L.Stenfelt,
J.R.Hagman,
M.J.Pichler,
J.Weikum,
T.S.Nielsen,
A.Hult,
J.P.Morth,
M.L.Olsson,
M.Abou Hachem.
Akkermansia Muciniphila Exoglycosidases Target Extended Blood Group Antigens to Generate Abo-Universal Blood Nature Microbiology 2024.
Page generated: Wed Oct 9 13:04:02 2024
|