Calcium in PDB 4c9f: Structure of Sign-R1 in Complex with Sulfodextran
Protein crystallography data
The structure of Structure of Sign-R1 in Complex with Sulfodextran, PDB code: 4c9f
was solved by
N.Silva-Martin,
S.G.Bartual,
A.Rodriguez,
E.Ramirez,
P.Chacon,
R.M.Anthony,
C.G.Park,
J.A.Hermoso,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
40.00 /
2.60
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
144.025,
97.959,
73.846,
90.00,
120.86,
90.00
|
R / Rfree (%)
|
19.107 /
23.265
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Structure of Sign-R1 in Complex with Sulfodextran
(pdb code 4c9f). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
Structure of Sign-R1 in Complex with Sulfodextran, PDB code: 4c9f:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 4c9f
Go back to
Calcium Binding Sites List in 4c9f
Calcium binding site 1 out
of 4 in the Structure of Sign-R1 in Complex with Sulfodextran
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Structure of Sign-R1 in Complex with Sulfodextran within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca401
b:56.2
occ:1.00
|
OD1
|
A:ASP304
|
2.1
|
33.0
|
1.0
|
OD1
|
A:ASN287
|
2.5
|
35.6
|
1.0
|
OE1
|
A:GLU285
|
2.6
|
29.7
|
1.0
|
OE1
|
A:GLU292
|
2.7
|
34.6
|
1.0
|
O
|
A:ASP304
|
2.7
|
32.6
|
1.0
|
O5A
|
A:GQ21324
|
3.1
|
0.4
|
1.0
|
OE2
|
A:GLU285
|
3.1
|
27.6
|
1.0
|
CD
|
A:GLU285
|
3.2
|
30.6
|
1.0
|
C1A
|
A:GQ21324
|
3.3
|
87.6
|
1.0
|
CG
|
A:ASP304
|
3.3
|
35.2
|
1.0
|
CG
|
A:ASN287
|
3.4
|
30.0
|
1.0
|
C
|
A:ASP304
|
3.7
|
32.3
|
1.0
|
C2A
|
A:GQ21324
|
3.7
|
83.2
|
1.0
|
ND2
|
A:ASN287
|
3.8
|
30.6
|
1.0
|
CD
|
A:GLU292
|
3.8
|
31.2
|
1.0
|
N
|
A:ASP304
|
3.8
|
32.8
|
1.0
|
CA
|
A:ASP304
|
4.0
|
32.2
|
1.0
|
N
|
A:ASN287
|
4.1
|
33.1
|
1.0
|
OD2
|
A:ASP304
|
4.1
|
38.8
|
1.0
|
O
|
A:ASN287
|
4.2
|
36.4
|
1.0
|
CB
|
A:ASP304
|
4.2
|
33.9
|
1.0
|
OE2
|
A:GLU292
|
4.3
|
32.4
|
1.0
|
C5A
|
A:GQ21324
|
4.5
|
0.2
|
1.0
|
CB
|
A:ASN287
|
4.5
|
31.9
|
1.0
|
C
|
A:ASN287
|
4.5
|
34.2
|
1.0
|
O2A
|
A:GQ21324
|
4.5
|
70.8
|
1.0
|
O1A
|
A:GQ21324
|
4.6
|
84.4
|
1.0
|
CA
|
A:ASN287
|
4.6
|
33.1
|
1.0
|
CG
|
A:GLU285
|
4.7
|
31.1
|
1.0
|
CB
|
A:ASN303
|
4.7
|
29.6
|
1.0
|
N
|
A:SER305
|
4.8
|
30.2
|
1.0
|
C
|
A:ASN303
|
4.8
|
32.6
|
1.0
|
CB
|
A:GLU292
|
4.9
|
31.2
|
1.0
|
ND2
|
A:ASN288
|
4.9
|
42.7
|
1.0
|
C3A
|
A:GQ21324
|
4.9
|
0.5
|
1.0
|
CG
|
A:GLU292
|
5.0
|
29.4
|
1.0
|
CA
|
A:ASN303
|
5.0
|
31.1
|
1.0
|
|
Calcium binding site 2 out
of 4 in 4c9f
Go back to
Calcium Binding Sites List in 4c9f
Calcium binding site 2 out
of 4 in the Structure of Sign-R1 in Complex with Sulfodextran
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Structure of Sign-R1 in Complex with Sulfodextran within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca401
b:50.2
occ:1.00
|
OE1
|
B:GLU292
|
2.4
|
35.6
|
1.0
|
OD1
|
B:ASN287
|
2.4
|
37.4
|
1.0
|
OD1
|
B:ASP304
|
2.4
|
29.5
|
1.0
|
O4A
|
B:GQ21329
|
2.5
|
56.7
|
1.0
|
OE1
|
B:GLU285
|
2.6
|
26.7
|
1.0
|
O
|
B:ASP304
|
2.6
|
32.1
|
1.0
|
CG
|
B:ASN287
|
3.3
|
32.4
|
1.0
|
CG
|
B:ASP304
|
3.4
|
30.9
|
1.0
|
C4A
|
B:GQ21329
|
3.4
|
64.0
|
1.0
|
C
|
B:ASP304
|
3.5
|
27.8
|
1.0
|
CD
|
B:GLU285
|
3.5
|
27.6
|
1.0
|
CD
|
B:GLU292
|
3.5
|
35.1
|
1.0
|
OE2
|
B:GLU285
|
3.6
|
26.8
|
1.0
|
N
|
B:ASP304
|
3.6
|
29.6
|
1.0
|
ND2
|
B:ASN287
|
3.8
|
29.8
|
1.0
|
CA
|
B:ASP304
|
3.8
|
28.9
|
1.0
|
N
|
B:ASN287
|
4.0
|
29.6
|
1.0
|
OE2
|
B:GLU292
|
4.0
|
34.3
|
1.0
|
O
|
B:ASN287
|
4.1
|
29.7
|
1.0
|
C6A
|
B:GQ21329
|
4.2
|
72.6
|
1.0
|
CB
|
B:ASP304
|
4.2
|
31.6
|
1.0
|
C5A
|
B:GQ21329
|
4.2
|
74.2
|
1.0
|
OD2
|
B:ASP304
|
4.3
|
31.1
|
1.0
|
C
|
B:ASN287
|
4.4
|
32.6
|
1.0
|
C3A
|
B:GQ21329
|
4.5
|
68.1
|
1.0
|
ND2
|
B:ASN288
|
4.5
|
46.6
|
1.0
|
CB
|
B:GLU292
|
4.5
|
38.1
|
1.0
|
CB
|
B:ASN287
|
4.5
|
31.2
|
1.0
|
N
|
B:SER305
|
4.6
|
26.6
|
1.0
|
CA
|
B:ASN287
|
4.6
|
30.4
|
1.0
|
CG
|
B:GLU292
|
4.6
|
37.0
|
1.0
|
O3A
|
B:GQ21329
|
4.7
|
65.2
|
1.0
|
C
|
B:ASN303
|
4.7
|
28.8
|
1.0
|
CB
|
B:ASN303
|
4.9
|
25.6
|
1.0
|
CG
|
B:GLU285
|
4.9
|
27.8
|
1.0
|
C
|
B:PRO286
|
4.9
|
30.0
|
1.0
|
CA
|
B:PRO286
|
4.9
|
30.4
|
1.0
|
|
Calcium binding site 3 out
of 4 in 4c9f
Go back to
Calcium Binding Sites List in 4c9f
Calcium binding site 3 out
of 4 in the Structure of Sign-R1 in Complex with Sulfodextran
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Structure of Sign-R1 in Complex with Sulfodextran within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca401
b:54.4
occ:1.00
|
OD1
|
C:ASP304
|
2.3
|
27.1
|
1.0
|
OD1
|
C:ASN287
|
2.4
|
33.3
|
1.0
|
O
|
C:ASP304
|
2.5
|
30.4
|
1.0
|
OE1
|
C:GLU285
|
2.5
|
29.8
|
1.0
|
OE1
|
C:GLU292
|
2.6
|
35.0
|
1.0
|
OE2
|
C:GLU285
|
3.1
|
25.7
|
1.0
|
CD
|
C:GLU285
|
3.2
|
27.4
|
1.0
|
O5A
|
C:GQ41325
|
3.3
|
92.9
|
1.0
|
C1A
|
C:GQ41325
|
3.4
|
79.3
|
1.0
|
CG
|
C:ASP304
|
3.4
|
31.8
|
1.0
|
CG
|
C:ASN287
|
3.5
|
29.1
|
1.0
|
C
|
C:ASP304
|
3.5
|
28.2
|
1.0
|
N
|
C:ASP304
|
3.6
|
29.1
|
1.0
|
CD
|
C:GLU292
|
3.7
|
33.0
|
1.0
|
CA
|
C:ASP304
|
3.9
|
29.3
|
1.0
|
ND2
|
C:ASN287
|
4.0
|
26.2
|
1.0
|
N
|
C:ASN287
|
4.1
|
32.2
|
1.0
|
CB
|
C:ASP304
|
4.2
|
32.1
|
1.0
|
CB
|
C:ASN303
|
4.3
|
27.3
|
1.0
|
OD2
|
C:ASP304
|
4.3
|
31.3
|
1.0
|
OE2
|
C:GLU292
|
4.4
|
37.2
|
1.0
|
O1A
|
C:GQ41325
|
4.4
|
74.9
|
1.0
|
C2A
|
C:GQ41325
|
4.4
|
88.3
|
1.0
|
C
|
C:ASN303
|
4.5
|
28.8
|
1.0
|
O
|
C:ASN287
|
4.5
|
34.5
|
1.0
|
CA
|
C:ASN303
|
4.6
|
28.7
|
1.0
|
CB
|
C:GLU292
|
4.6
|
33.0
|
1.0
|
N
|
C:SER305
|
4.6
|
27.7
|
1.0
|
C5A
|
C:GQ41325
|
4.7
|
1.0
|
1.0
|
CG
|
C:GLU285
|
4.7
|
28.9
|
1.0
|
CB
|
C:ASN287
|
4.7
|
30.8
|
1.0
|
C
|
C:ASN287
|
4.7
|
35.7
|
1.0
|
CA
|
C:ASN287
|
4.8
|
31.8
|
1.0
|
ND2
|
C:ASN288
|
4.8
|
41.1
|
1.0
|
CG
|
C:GLU292
|
4.8
|
33.1
|
1.0
|
CG
|
C:ASN303
|
4.9
|
27.2
|
1.0
|
|
Calcium binding site 4 out
of 4 in 4c9f
Go back to
Calcium Binding Sites List in 4c9f
Calcium binding site 4 out
of 4 in the Structure of Sign-R1 in Complex with Sulfodextran
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Structure of Sign-R1 in Complex with Sulfodextran within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca401
b:53.1
occ:1.00
|
OD1
|
D:ASN287
|
2.4
|
29.7
|
1.0
|
OD1
|
D:ASP304
|
2.4
|
31.1
|
1.0
|
OE1
|
D:GLU292
|
2.5
|
29.6
|
1.0
|
OE1
|
D:GLU285
|
2.5
|
30.5
|
1.0
|
O
|
D:ASP304
|
2.7
|
33.7
|
1.0
|
OE2
|
D:GLU285
|
3.3
|
24.9
|
1.0
|
CD
|
D:GLU285
|
3.3
|
29.4
|
1.0
|
CG
|
D:ASN287
|
3.4
|
28.8
|
1.0
|
CG
|
D:ASP304
|
3.6
|
34.9
|
1.0
|
C
|
D:ASP304
|
3.7
|
29.9
|
1.0
|
CD
|
D:GLU292
|
3.7
|
30.8
|
1.0
|
N
|
D:ASP304
|
3.8
|
29.4
|
1.0
|
ND2
|
D:ASN287
|
3.9
|
26.9
|
1.0
|
ND2
|
D:ASN288
|
4.1
|
49.5
|
1.0
|
CA
|
D:ASP304
|
4.1
|
30.8
|
1.0
|
N
|
D:ASN287
|
4.2
|
29.8
|
1.0
|
OE2
|
D:GLU292
|
4.3
|
31.4
|
1.0
|
CB
|
D:ASN303
|
4.4
|
26.0
|
1.0
|
O
|
D:ASN287
|
4.4
|
34.2
|
1.0
|
CB
|
D:ASP304
|
4.5
|
32.1
|
1.0
|
OD2
|
D:ASP304
|
4.6
|
35.0
|
1.0
|
CB
|
D:ASN287
|
4.7
|
30.3
|
1.0
|
C
|
D:ASN287
|
4.7
|
31.9
|
1.0
|
CG
|
D:GLU285
|
4.7
|
30.5
|
1.0
|
N
|
D:SER305
|
4.7
|
30.1
|
1.0
|
C
|
D:ASN303
|
4.8
|
28.6
|
1.0
|
CA
|
D:ASN287
|
4.8
|
30.5
|
1.0
|
CG
|
D:GLU292
|
4.8
|
34.5
|
1.0
|
CB
|
D:GLU292
|
4.9
|
35.8
|
1.0
|
CA
|
D:ASN303
|
4.9
|
27.7
|
1.0
|
CG
|
D:ASN303
|
4.9
|
25.6
|
1.0
|
|
Reference:
N.Silva-Martin,
S.G.Bartual,
A.Rodriguez,
E.Ramirez,
P.Chacon,
R.M.Anthony,
C.G.Park,
J.A.Hermoso.
Structural Basis For Selective Recognition of Endogenous and Microbial Polysaccharides By Macrophage Receptor Sign-R1 Structure 2014.
ISSN: ESSN 1878-4186
DOI: 10.1016/J.STR.2014.09.001
Page generated: Sat Jul 13 22:59:20 2024
|