Sodium in PDB 8d4o: Crystal Structure of the Neutrophil Serine Protease Inhibitor EAP1 From S. Aureus
Protein crystallography data
The structure of Crystal Structure of the Neutrophil Serine Protease Inhibitor EAP1 From S. Aureus, PDB code: 8d4o
was solved by
C.D.Gido,
B.V.Geisbrecht,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
37.08 /
1.45
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
37.623,
48.091,
55.161,
84.26,
89.92,
72.96
|
R / Rfree (%)
|
16.9 /
19.7
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of the Neutrophil Serine Protease Inhibitor EAP1 From S. Aureus
(pdb code 8d4o). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the
Crystal Structure of the Neutrophil Serine Protease Inhibitor EAP1 From S. Aureus, PDB code: 8d4o:
Jump to Sodium binding site number:
1;
2;
3;
4;
Sodium binding site 1 out
of 4 in 8d4o
Go back to
Sodium Binding Sites List in 8d4o
Sodium binding site 1 out
of 4 in the Crystal Structure of the Neutrophil Serine Protease Inhibitor EAP1 From S. Aureus
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of the Neutrophil Serine Protease Inhibitor EAP1 From S. Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na201
b:18.6
occ:1.00
|
O
|
A:HOH401
|
2.6
|
25.7
|
1.0
|
OD2
|
A:ASP121
|
2.7
|
12.7
|
1.0
|
O
|
B:HOH352
|
2.7
|
11.0
|
1.0
|
OG1
|
B:THR109
|
2.8
|
6.7
|
1.0
|
CG
|
A:ASP121
|
3.5
|
12.1
|
1.0
|
CB
|
A:ASP121
|
3.6
|
8.4
|
1.0
|
CG2
|
B:THR109
|
3.7
|
8.0
|
1.0
|
CB
|
B:THR109
|
3.7
|
6.2
|
1.0
|
CG2
|
B:VAL119
|
3.8
|
8.3
|
1.0
|
OE2
|
B:GLU107
|
4.1
|
24.5
|
1.0
|
O
|
A:HOH326
|
4.2
|
16.4
|
1.0
|
CB
|
A:SER124
|
4.2
|
12.1
|
1.0
|
O
|
B:HOH364
|
4.3
|
19.5
|
1.0
|
OG
|
A:SER124
|
4.3
|
15.0
|
1.0
|
OE1
|
B:GLU107
|
4.6
|
13.4
|
1.0
|
CD
|
B:GLU107
|
4.6
|
15.7
|
1.0
|
OD1
|
A:ASP121
|
4.7
|
8.9
|
1.0
|
NZ
|
B:LYS117
|
4.8
|
14.5
|
1.0
|
O
|
A:HOH380
|
4.9
|
9.5
|
1.0
|
CD
|
B:LYS117
|
4.9
|
12.9
|
1.0
|
O
|
B:HOH308
|
4.9
|
20.5
|
1.0
|
|
Sodium binding site 2 out
of 4 in 8d4o
Go back to
Sodium Binding Sites List in 8d4o
Sodium binding site 2 out
of 4 in the Crystal Structure of the Neutrophil Serine Protease Inhibitor EAP1 From S. Aureus
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Crystal Structure of the Neutrophil Serine Protease Inhibitor EAP1 From S. Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na202
b:32.6
occ:1.00
|
O
|
A:HOH320
|
2.8
|
25.3
|
1.0
|
O
|
A:HOH376
|
3.2
|
9.4
|
1.0
|
O
|
A:ILE55
|
3.2
|
10.9
|
1.0
|
O
|
C:HOH376
|
3.3
|
16.2
|
1.0
|
N
|
A:THR60
|
3.6
|
19.2
|
1.0
|
OG1
|
A:THR60
|
3.6
|
22.2
|
1.0
|
CG2
|
A:THR60
|
3.9
|
24.0
|
1.0
|
OG1
|
A:THR56
|
4.0
|
17.5
|
1.0
|
CA
|
A:THR56
|
4.1
|
11.1
|
1.0
|
O
|
A:HOH389
|
4.1
|
25.0
|
1.0
|
C
|
A:ILE55
|
4.2
|
9.9
|
1.0
|
O
|
A:HOH311
|
4.2
|
24.7
|
1.0
|
CB
|
A:THR60
|
4.2
|
22.6
|
1.0
|
CA
|
A:GLY59
|
4.2
|
19.8
|
1.0
|
C
|
A:GLY59
|
4.2
|
17.3
|
1.0
|
O
|
A:HOH332
|
4.3
|
20.5
|
1.0
|
CA
|
A:THR60
|
4.4
|
17.2
|
1.0
|
NH2
|
A:ARG93
|
4.4
|
23.0
|
1.0
|
CB
|
A:THR56
|
4.5
|
13.5
|
1.0
|
N
|
A:THR56
|
4.5
|
9.4
|
1.0
|
O
|
C:HOH413
|
4.5
|
29.7
|
1.0
|
CG2
|
A:THR56
|
4.6
|
19.9
|
1.0
|
OG1
|
A:THR54
|
4.6
|
11.6
|
1.0
|
O
|
A:THR60
|
4.7
|
23.4
|
1.0
|
N
|
A:GLY59
|
4.8
|
17.4
|
1.0
|
C
|
A:THR60
|
5.0
|
21.4
|
1.0
|
|
Sodium binding site 3 out
of 4 in 8d4o
Go back to
Sodium Binding Sites List in 8d4o
Sodium binding site 3 out
of 4 in the Crystal Structure of the Neutrophil Serine Protease Inhibitor EAP1 From S. Aureus
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Crystal Structure of the Neutrophil Serine Protease Inhibitor EAP1 From S. Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na201
b:28.1
occ:1.00
|
O
|
C:HOH314
|
2.6
|
23.2
|
1.0
|
O
|
B:SER124
|
2.7
|
11.5
|
1.0
|
O
|
B:HOH322
|
2.7
|
14.7
|
1.0
|
OE1
|
B:GLU82
|
2.9
|
18.7
|
1.0
|
OE2
|
B:GLU82
|
3.0
|
25.2
|
1.0
|
CD
|
B:GLU82
|
3.3
|
18.3
|
1.0
|
C
|
B:SER124
|
3.8
|
11.5
|
1.0
|
O
|
C:HOH303
|
3.8
|
19.3
|
1.0
|
O
|
B:LEU122
|
4.0
|
10.0
|
1.0
|
O
|
B:ASP121
|
4.0
|
9.6
|
1.0
|
CG1
|
B:ILE126
|
4.2
|
13.0
|
1.0
|
CD1
|
B:ILE126
|
4.2
|
14.8
|
1.0
|
C
|
B:LEU122
|
4.3
|
8.2
|
1.0
|
N
|
B:SER124
|
4.4
|
9.2
|
1.0
|
CA
|
B:GLY125
|
4.5
|
10.8
|
1.0
|
OE1
|
C:GLN62
|
4.5
|
19.5
|
1.0
|
O
|
B:HOH344
|
4.5
|
14.8
|
1.0
|
N
|
B:GLY125
|
4.6
|
13.0
|
1.0
|
CA
|
B:LEU122
|
4.7
|
8.5
|
1.0
|
C
|
B:GLY125
|
4.7
|
11.7
|
1.0
|
N
|
B:ILE126
|
4.7
|
12.8
|
1.0
|
CA
|
B:SER124
|
4.8
|
10.1
|
1.0
|
CG
|
B:GLU82
|
4.9
|
10.2
|
1.0
|
N
|
B:LYS123
|
5.0
|
7.1
|
1.0
|
|
Sodium binding site 4 out
of 4 in 8d4o
Go back to
Sodium Binding Sites List in 8d4o
Sodium binding site 4 out
of 4 in the Crystal Structure of the Neutrophil Serine Protease Inhibitor EAP1 From S. Aureus
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Crystal Structure of the Neutrophil Serine Protease Inhibitor EAP1 From S. Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na201
b:26.8
occ:1.00
|
O
|
D:HOH399
|
2.3
|
26.8
|
1.0
|
O
|
D:HOH311
|
2.4
|
28.4
|
1.0
|
OG1
|
D:THR54
|
2.4
|
12.6
|
1.0
|
O
|
D:HOH365
|
2.5
|
20.4
|
1.0
|
O
|
D:ILE55
|
2.6
|
9.0
|
1.0
|
C
|
D:ILE55
|
3.4
|
9.0
|
1.0
|
N
|
D:ILE55
|
3.6
|
6.0
|
1.0
|
O
|
D:HOH344
|
3.7
|
20.0
|
1.0
|
CB
|
D:THR54
|
3.8
|
8.8
|
1.0
|
OG1
|
D:THR56
|
3.9
|
16.5
|
1.0
|
CA
|
D:ILE55
|
4.2
|
7.0
|
1.0
|
N
|
D:THR56
|
4.2
|
8.8
|
1.0
|
NH2
|
D:ARG93
|
4.3
|
20.9
|
1.0
|
C
|
D:THR54
|
4.3
|
6.2
|
1.0
|
CA
|
D:THR54
|
4.4
|
6.3
|
1.0
|
CG2
|
D:THR54
|
4.4
|
10.0
|
1.0
|
CA
|
D:THR56
|
4.4
|
10.6
|
1.0
|
O
|
D:HOH314
|
4.6
|
20.0
|
1.0
|
O
|
D:HOH329
|
4.7
|
22.9
|
1.0
|
O
|
D:HOH364
|
4.7
|
8.5
|
1.0
|
OG1
|
D:THR60
|
4.7
|
20.8
|
1.0
|
O
|
D:HOH371
|
4.8
|
18.3
|
1.0
|
CB
|
D:THR56
|
4.8
|
13.4
|
1.0
|
|
Reference:
C.D.Gido,
T.J.Herdendorf,
B.V.Geisbrecht.
Crystal Structure of the Neutrophil Serine Protease Inhibitor EAP1 From S. Aureus To Be Published.
Page generated: Wed Oct 9 11:21:27 2024
|