Calcium in PDB 6vt2: Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin
Protein crystallography data
The structure of Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin, PDB code: 6vt2
was solved by
H.E.Stubbs,
T.M.Iverson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
35.66 /
1.52
|
|
Space group
|
P 21 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
82.213,
269.859,
47.511,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
17.6 /
19.3
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin
(pdb code 6vt2). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin, PDB code: 6vt2:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 6vt2
Go back to
Calcium Binding Sites List in 6vt2
Calcium binding site 1 out
of 8 in the Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca701
b:12.1
occ:1.00
|
O
|
A:HOH1239
|
2.3
|
18.3
|
1.0
|
|
O
|
A:THR575
|
2.4
|
10.9
|
1.0
|
|
O
|
A:HOH1316
|
2.4
|
18.5
|
1.0
|
|
OD2
|
A:ASP644
|
2.4
|
11.5
|
1.0
|
|
O
|
A:TYR578
|
2.4
|
12.1
|
1.0
|
|
O
|
A:HOH1246
|
2.5
|
20.7
|
1.0
|
|
OD1
|
A:ASP644
|
2.5
|
11.9
|
1.0
|
|
OG1
|
A:THR575
|
2.6
|
10.7
|
1.0
|
|
CG
|
A:ASP644
|
2.8
|
11.7
|
1.0
|
|
C
|
A:THR575
|
3.4
|
9.3
|
1.0
|
|
HA
|
A:THR575
|
3.5
|
10.4
|
1.0
|
|
HA
|
A:THR579
|
3.6
|
17.1
|
1.0
|
|
C
|
A:TYR578
|
3.6
|
12.6
|
1.0
|
|
CA
|
A:THR575
|
3.8
|
8.7
|
1.0
|
|
CB
|
A:THR575
|
3.8
|
10.0
|
1.0
|
|
HD3
|
A:PRO580
|
3.9
|
16.9
|
1.0
|
|
HH
|
A:TYR633
|
4.0
|
14.8
|
1.0
|
|
H
|
A:TYR578
|
4.1
|
15.2
|
1.0
|
|
HE2
|
A:TYR633
|
4.2
|
11.0
|
1.0
|
|
O
|
A:HOH1307
|
4.3
|
62.1
|
1.0
|
|
O
|
A:HOH1232
|
4.3
|
32.6
|
1.0
|
|
CB
|
A:ASP644
|
4.3
|
10.4
|
1.0
|
|
HG23
|
A:THR575
|
4.4
|
12.8
|
1.0
|
|
CA
|
A:THR579
|
4.4
|
14.2
|
1.0
|
|
OH
|
A:TYR633
|
4.5
|
12.3
|
1.0
|
|
N
|
A:THR579
|
4.5
|
11.3
|
1.0
|
|
HB
|
A:THR575
|
4.5
|
12.0
|
1.0
|
|
HA
|
A:ASP576
|
4.5
|
14.5
|
1.0
|
|
HB2
|
A:TYR578
|
4.5
|
12.3
|
1.0
|
|
N
|
A:ASP576
|
4.5
|
10.1
|
1.0
|
|
OG1
|
A:THR579
|
4.5
|
20.9
|
1.0
|
|
O
|
A:HOH940
|
4.6
|
22.3
|
1.0
|
|
N
|
A:TYR578
|
4.6
|
12.6
|
1.0
|
|
HD2
|
A:PRO580
|
4.6
|
16.9
|
1.0
|
|
CA
|
A:TYR578
|
4.7
|
12.0
|
1.0
|
|
CG2
|
A:THR575
|
4.7
|
10.6
|
1.0
|
|
HB3
|
A:ASP644
|
4.7
|
12.5
|
1.0
|
|
O
|
A:ARG643
|
4.7
|
10.6
|
1.0
|
|
CD
|
A:PRO580
|
4.7
|
14.1
|
1.0
|
|
HB2
|
A:ASP644
|
4.7
|
12.5
|
1.0
|
|
O
|
A:HOH1364
|
4.7
|
33.8
|
1.0
|
|
CE2
|
A:TYR633
|
4.8
|
9.2
|
1.0
|
|
HA
|
A:ASP644
|
4.9
|
10.8
|
1.0
|
|
CA
|
A:ASP576
|
4.9
|
12.1
|
1.0
|
|
HG1
|
A:THR579
|
4.9
|
25.1
|
1.0
|
|
CZ
|
A:TYR633
|
5.0
|
10.7
|
1.0
|
|
Calcium binding site 2 out
of 8 in 6vt2
Go back to
Calcium Binding Sites List in 6vt2
Calcium binding site 2 out
of 8 in the Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca702
b:13.4
occ:1.00
|
OD2
|
A:ASP355
|
2.1
|
14.8
|
1.0
|
|
O
|
A:HOH1299
|
2.3
|
16.0
|
1.0
|
|
OD1
|
A:ASP281
|
2.4
|
14.8
|
1.0
|
|
O
|
A:THR255
|
2.5
|
12.8
|
1.0
|
|
OD2
|
A:ASP253
|
2.5
|
16.3
|
1.0
|
|
OD2
|
A:ASP281
|
2.5
|
14.5
|
1.0
|
|
OD1
|
A:ASP253
|
2.5
|
14.8
|
1.0
|
|
CG
|
A:ASP281
|
2.7
|
14.0
|
1.0
|
|
CG
|
A:ASP253
|
2.8
|
16.0
|
1.0
|
|
CG
|
A:ASP355
|
3.3
|
11.9
|
1.0
|
|
HD22
|
A:ASN359
|
3.3
|
16.9
|
1.0
|
|
C
|
A:THR255
|
3.5
|
14.6
|
1.0
|
|
HB3
|
A:ASP355
|
3.5
|
14.4
|
1.0
|
|
H
|
A:THR255
|
3.6
|
17.3
|
1.0
|
|
HB
|
A:THR255
|
3.6
|
16.7
|
1.0
|
|
HB2
|
A:ASP355
|
3.8
|
14.4
|
1.0
|
|
CB
|
A:ASP355
|
3.8
|
12.0
|
1.0
|
|
HG
|
A:SER283
|
3.9
|
17.0
|
1.0
|
|
H
|
A:SER283
|
3.9
|
16.1
|
1.0
|
|
HB3
|
A:SER283
|
4.0
|
15.6
|
1.0
|
|
ND2
|
A:ASN359
|
4.0
|
14.1
|
1.0
|
|
HA
|
A:PRO256
|
4.0
|
14.9
|
1.0
|
|
HB2
|
A:ASN359
|
4.1
|
12.6
|
1.0
|
|
O
|
A:HOH1077
|
4.1
|
23.8
|
1.0
|
|
H
|
A:ASP282
|
4.2
|
17.9
|
1.0
|
|
N
|
A:THR255
|
4.2
|
14.4
|
1.0
|
|
CB
|
A:ASP281
|
4.3
|
11.6
|
1.0
|
|
CB
|
A:ASP253
|
4.3
|
14.3
|
1.0
|
|
CA
|
A:THR255
|
4.3
|
15.1
|
1.0
|
|
HD21
|
A:ASN359
|
4.3
|
16.9
|
1.0
|
|
OD1
|
A:ASP355
|
4.3
|
12.5
|
1.0
|
|
CB
|
A:THR255
|
4.3
|
13.9
|
1.0
|
|
O
|
A:HOH1147
|
4.3
|
15.2
|
1.0
|
|
C
|
A:PRO256
|
4.4
|
12.9
|
1.0
|
|
N
|
A:PRO256
|
4.4
|
12.1
|
1.0
|
|
CA
|
A:PRO256
|
4.5
|
12.4
|
1.0
|
|
HB3
|
A:ASP253
|
4.6
|
17.1
|
1.0
|
|
O
|
A:PRO256
|
4.6
|
13.2
|
1.0
|
|
OG
|
A:SER283
|
4.6
|
14.2
|
1.0
|
|
HG22
|
A:THR255
|
4.6
|
16.1
|
1.0
|
|
HB2
|
A:ASP281
|
4.6
|
14.0
|
1.0
|
|
HD3
|
A:PRO257
|
4.6
|
14.4
|
1.0
|
|
HB3
|
A:ASP281
|
4.7
|
14.0
|
1.0
|
|
HB2
|
A:ASP253
|
4.7
|
17.1
|
1.0
|
|
CB
|
A:SER283
|
4.7
|
13.0
|
1.0
|
|
N
|
A:PRO257
|
4.8
|
11.3
|
1.0
|
|
N
|
A:SER283
|
4.8
|
13.4
|
1.0
|
|
HA
|
A:PRO257
|
4.8
|
11.1
|
1.0
|
|
N
|
A:ASP282
|
4.8
|
14.9
|
1.0
|
|
HA
|
A:ASP281
|
4.8
|
14.0
|
1.0
|
|
HB2
|
A:ASP282
|
4.8
|
22.1
|
1.0
|
|
CB
|
A:ASN359
|
4.9
|
10.5
|
1.0
|
|
HB3
|
A:ALA357
|
4.9
|
20.6
|
1.0
|
|
CG
|
A:ASN359
|
4.9
|
13.8
|
1.0
|
|
HG3
|
A:PRO257
|
4.9
|
14.4
|
1.0
|
|
Calcium binding site 3 out
of 8 in 6vt2
Go back to
Calcium Binding Sites List in 6vt2
Calcium binding site 3 out
of 8 in the Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca703
b:17.1
occ:1.00
|
O
|
A:THR379
|
2.3
|
15.8
|
1.0
|
|
O
|
A:HOH1323
|
2.3
|
35.3
|
1.0
|
|
O
|
A:HOH951
|
2.3
|
31.1
|
1.0
|
|
O
|
A:TYR382
|
2.4
|
23.7
|
1.0
|
|
O
|
A:HOH1260
|
2.5
|
29.5
|
1.0
|
|
OD2
|
A:ASP441
|
2.5
|
17.1
|
1.0
|
|
OD1
|
A:ASP441
|
2.5
|
18.0
|
1.0
|
|
OG1
|
A:THR379
|
2.6
|
15.9
|
1.0
|
|
CG
|
A:ASP441
|
2.9
|
16.7
|
1.0
|
|
HG1
|
A:THR379
|
3.1
|
19.1
|
1.0
|
|
C
|
A:THR379
|
3.3
|
14.8
|
1.0
|
|
HA
|
A:THR383
|
3.6
|
35.1
|
1.0
|
|
HD3
|
A:PRO384
|
3.6
|
28.2
|
1.0
|
|
HA
|
A:THR379
|
3.6
|
14.1
|
1.0
|
|
C
|
A:TYR382
|
3.6
|
23.8
|
1.0
|
|
CB
|
A:THR379
|
3.8
|
15.0
|
1.0
|
|
CA
|
A:THR379
|
3.8
|
11.7
|
1.0
|
|
HH
|
A:TYR435
|
3.9
|
20.6
|
1.0
|
|
HE2
|
A:TYR435
|
3.9
|
15.3
|
1.0
|
|
HG1
|
A:THR383
|
3.9
|
40.4
|
1.0
|
|
O
|
A:HOH1354
|
4.0
|
55.4
|
1.0
|
|
HG23
|
A:THR379
|
4.1
|
19.6
|
1.0
|
|
H
|
A:TYR382
|
4.2
|
27.2
|
1.0
|
|
HA
|
A:GLU380
|
4.2
|
17.3
|
1.0
|
|
CB
|
A:ASP441
|
4.4
|
14.9
|
1.0
|
|
CA
|
A:THR383
|
4.4
|
29.2
|
1.0
|
|
O
|
A:HOH1297
|
4.4
|
40.9
|
1.0
|
|
N
|
A:GLU380
|
4.4
|
14.2
|
1.0
|
|
N
|
A:THR383
|
4.4
|
27.4
|
1.0
|
|
CD
|
A:PRO384
|
4.5
|
23.5
|
1.0
|
|
CG2
|
A:THR379
|
4.5
|
16.3
|
1.0
|
|
HB
|
A:THR379
|
4.5
|
18.1
|
1.0
|
|
HB2
|
A:TYR382
|
4.5
|
24.2
|
1.0
|
|
HD2
|
A:PRO384
|
4.6
|
28.2
|
1.0
|
|
O
|
A:HOH1262
|
4.6
|
41.9
|
1.0
|
|
OH
|
A:TYR435
|
4.6
|
17.2
|
1.0
|
|
N
|
A:TYR382
|
4.7
|
22.6
|
1.0
|
|
CA
|
A:TYR382
|
4.7
|
22.0
|
1.0
|
|
OG1
|
A:THR383
|
4.7
|
33.7
|
1.0
|
|
CE2
|
A:TYR435
|
4.7
|
12.7
|
1.0
|
|
HB2
|
A:ASP441
|
4.7
|
17.9
|
1.0
|
|
HA
|
A:ASP441
|
4.7
|
19.1
|
1.0
|
|
CA
|
A:GLU380
|
4.7
|
14.4
|
1.0
|
|
HB3
|
A:ASP441
|
4.8
|
17.9
|
1.0
|
|
O
|
A:THR440
|
4.9
|
15.4
|
1.0
|
|
HG21
|
A:THR379
|
4.9
|
19.6
|
1.0
|
|
HG23
|
A:THR383
|
5.0
|
43.1
|
1.0
|
|
Calcium binding site 4 out
of 8 in 6vt2
Go back to
Calcium Binding Sites List in 6vt2
Calcium binding site 4 out
of 8 in the Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca704
b:12.4
occ:1.00
|
O
|
A:VAL454
|
2.3
|
14.3
|
1.0
|
|
OD2
|
A:ASP556
|
2.4
|
13.5
|
1.0
|
|
OD1
|
A:ASN482
|
2.4
|
17.3
|
1.0
|
|
OD1
|
A:ASP452
|
2.4
|
12.3
|
1.0
|
|
OD2
|
A:ASP481
|
2.5
|
15.6
|
1.0
|
|
OD1
|
A:ASP481
|
2.5
|
15.3
|
1.0
|
|
OD2
|
A:ASP452
|
2.5
|
13.9
|
1.0
|
|
CG
|
A:ASP452
|
2.8
|
13.1
|
1.0
|
|
CG
|
A:ASP481
|
2.8
|
14.5
|
1.0
|
|
CG
|
A:ASP556
|
3.4
|
13.9
|
1.0
|
|
C
|
A:VAL454
|
3.5
|
14.1
|
1.0
|
|
CG
|
A:ASN482
|
3.5
|
20.8
|
1.0
|
|
H
|
A:SER483
|
3.5
|
18.2
|
1.0
|
|
HD12
|
A:LEU560
|
3.6
|
23.2
|
1.0
|
|
H
|
A:ASN482
|
3.6
|
17.7
|
1.0
|
|
HB3
|
A:ASP556
|
3.7
|
15.0
|
1.0
|
|
H
|
A:VAL454
|
3.7
|
17.4
|
1.0
|
|
HD21
|
A:ASN482
|
3.8
|
23.3
|
1.0
|
|
HB
|
A:VAL454
|
3.8
|
19.8
|
1.0
|
|
HB2
|
A:ASP556
|
3.9
|
15.0
|
1.0
|
|
CB
|
A:ASP556
|
3.9
|
12.5
|
1.0
|
|
HA
|
A:ALA455
|
4.0
|
19.0
|
1.0
|
|
HB3
|
A:SER483
|
4.0
|
18.8
|
1.0
|
|
HG
|
A:SER483
|
4.0
|
18.9
|
1.0
|
|
ND2
|
A:ASN482
|
4.0
|
19.4
|
1.0
|
|
HD3
|
A:PRO456
|
4.2
|
16.0
|
1.0
|
|
N
|
A:ASN482
|
4.2
|
14.7
|
1.0
|
|
CB
|
A:ASP481
|
4.3
|
13.1
|
1.0
|
|
CB
|
A:ASP452
|
4.3
|
13.7
|
1.0
|
|
N
|
A:SER483
|
4.3
|
15.2
|
1.0
|
|
CA
|
A:VAL454
|
4.3
|
14.2
|
1.0
|
|
N
|
A:VAL454
|
4.4
|
14.5
|
1.0
|
|
HB2
|
A:LEU560
|
4.4
|
20.4
|
1.0
|
|
O
|
A:HOH1134
|
4.4
|
15.1
|
1.0
|
|
N
|
A:ALA455
|
4.4
|
14.5
|
1.0
|
|
OD1
|
A:ASP556
|
4.4
|
15.8
|
1.0
|
|
CA
|
A:ALA455
|
4.5
|
15.9
|
1.0
|
|
C
|
A:ALA455
|
4.5
|
13.4
|
1.0
|
|
OG
|
A:SER483
|
4.5
|
15.7
|
1.0
|
|
CB
|
A:VAL454
|
4.5
|
16.5
|
1.0
|
|
CD1
|
A:LEU560
|
4.5
|
19.3
|
1.0
|
|
HB3
|
A:ASP452
|
4.6
|
16.5
|
1.0
|
|
HB3
|
A:ASP481
|
4.6
|
15.7
|
1.0
|
|
CB
|
A:ASN482
|
4.7
|
17.1
|
1.0
|
|
CB
|
A:SER483
|
4.7
|
15.7
|
1.0
|
|
O
|
A:HOH869
|
4.7
|
27.6
|
1.0
|
|
HB2
|
A:ASP452
|
4.7
|
16.5
|
1.0
|
|
N
|
A:PRO456
|
4.7
|
12.5
|
1.0
|
|
HB2
|
A:ASP481
|
4.8
|
15.7
|
1.0
|
|
HA
|
A:ASP481
|
4.8
|
16.0
|
1.0
|
|
O
|
A:ALA455
|
4.8
|
13.0
|
1.0
|
|
HG3
|
A:PRO456
|
4.8
|
15.1
|
1.0
|
|
HD13
|
A:LEU560
|
4.8
|
23.2
|
1.0
|
|
CA
|
A:ASN482
|
4.9
|
16.1
|
1.0
|
|
CD
|
A:PRO456
|
4.9
|
13.3
|
1.0
|
|
HG12
|
A:VAL454
|
4.9
|
20.1
|
1.0
|
|
HG
|
A:SER558
|
4.9
|
23.0
|
0.5
|
|
HA
|
A:ASP452
|
4.9
|
17.4
|
1.0
|
|
HD22
|
A:ASN482
|
4.9
|
23.3
|
1.0
|
|
HB3
|
A:ASN482
|
4.9
|
20.5
|
1.0
|
|
CA
|
A:ASP481
|
4.9
|
13.3
|
1.0
|
|
HD11
|
A:LEU560
|
5.0
|
23.2
|
1.0
|
|
C
|
A:ASP481
|
5.0
|
14.9
|
1.0
|
|
HA
|
A:PRO456
|
5.0
|
13.5
|
1.0
|
|
Calcium binding site 5 out
of 8 in 6vt2
Go back to
Calcium Binding Sites List in 6vt2
Calcium binding site 5 out
of 8 in the Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1402
b:11.0
occ:1.00
|
O
|
E:THR575
|
2.3
|
11.4
|
1.0
|
|
O
|
E:HOH1916
|
2.4
|
17.1
|
1.0
|
|
O
|
E:HOH1977
|
2.4
|
16.9
|
1.0
|
|
O
|
E:TYR578
|
2.4
|
11.1
|
1.0
|
|
OD2
|
E:ASP644
|
2.4
|
11.0
|
1.0
|
|
O
|
E:HOH1898
|
2.5
|
17.8
|
1.0
|
|
OD1
|
E:ASP644
|
2.5
|
13.5
|
1.0
|
|
OG1
|
E:THR575
|
2.7
|
11.0
|
1.0
|
|
CG
|
E:ASP644
|
2.8
|
11.3
|
1.0
|
|
HG1
|
E:THR575
|
3.1
|
13.2
|
1.0
|
|
C
|
E:THR575
|
3.3
|
11.3
|
1.0
|
|
HA
|
E:THR575
|
3.6
|
11.1
|
1.0
|
|
C
|
E:TYR578
|
3.6
|
12.2
|
1.0
|
|
HA
|
E:THR579
|
3.7
|
14.1
|
1.0
|
|
CA
|
E:THR575
|
3.8
|
9.3
|
1.0
|
|
HH
|
E:TYR633
|
3.8
|
13.3
|
1.0
|
|
CB
|
E:THR575
|
3.9
|
9.0
|
1.0
|
|
HD3
|
E:PRO580
|
3.9
|
13.2
|
1.0
|
|
H
|
E:TYR578
|
3.9
|
13.8
|
1.0
|
|
HG1
|
E:THR579
|
4.0
|
21.9
|
1.0
|
|
HE2
|
E:TYR633
|
4.2
|
12.0
|
1.0
|
|
O
|
E:HOH1904
|
4.3
|
34.1
|
1.0
|
|
CB
|
E:ASP644
|
4.4
|
10.5
|
1.0
|
|
HA
|
E:ASP576
|
4.4
|
12.7
|
1.0
|
|
O
|
E:HOH1994
|
4.4
|
39.0
|
1.0
|
|
HG23
|
E:THR575
|
4.5
|
13.2
|
1.0
|
|
OH
|
E:TYR633
|
4.5
|
11.1
|
1.0
|
|
N
|
E:ASP576
|
4.5
|
9.9
|
1.0
|
|
N
|
E:THR579
|
4.5
|
12.2
|
1.0
|
|
CA
|
E:THR579
|
4.5
|
11.8
|
1.0
|
|
N
|
E:TYR578
|
4.5
|
11.5
|
1.0
|
|
HB2
|
E:TYR578
|
4.5
|
15.5
|
1.0
|
|
HB
|
E:THR575
|
4.6
|
10.8
|
1.0
|
|
O
|
E:HOH2069
|
4.6
|
25.7
|
1.0
|
|
CA
|
E:TYR578
|
4.6
|
11.8
|
1.0
|
|
OG1
|
E:THR579
|
4.7
|
18.3
|
1.0
|
|
O
|
E:HOH1603
|
4.7
|
22.4
|
1.0
|
|
HB3
|
E:ASP644
|
4.7
|
12.7
|
1.0
|
|
CG2
|
E:THR575
|
4.7
|
11.0
|
1.0
|
|
O
|
E:ARG643
|
4.7
|
10.8
|
1.0
|
|
HB2
|
E:ASP644
|
4.8
|
12.7
|
1.0
|
|
CD
|
E:PRO580
|
4.8
|
11.0
|
1.0
|
|
CE2
|
E:TYR633
|
4.8
|
10.0
|
1.0
|
|
HD2
|
E:PRO580
|
4.8
|
13.2
|
1.0
|
|
CA
|
E:ASP576
|
4.9
|
10.6
|
1.0
|
|
HA
|
E:ASP644
|
4.9
|
12.3
|
1.0
|
|
Calcium binding site 6 out
of 8 in 6vt2
Go back to
Calcium Binding Sites List in 6vt2
Calcium binding site 6 out
of 8 in the Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1403
b:13.3
occ:1.00
|
OD1
|
E:ASN482
|
2.3
|
16.1
|
1.0
|
|
OD2
|
E:ASP556
|
2.3
|
13.5
|
1.0
|
|
OD1
|
E:ASP452
|
2.4
|
15.4
|
1.0
|
|
OD2
|
E:ASP452
|
2.4
|
14.2
|
1.0
|
|
OD2
|
E:ASP481
|
2.4
|
15.6
|
1.0
|
|
OD1
|
E:ASP481
|
2.4
|
13.9
|
1.0
|
|
O
|
E:VAL454
|
2.5
|
16.0
|
1.0
|
|
CG
|
E:ASP452
|
2.6
|
15.4
|
1.0
|
|
CG
|
E:ASP481
|
2.7
|
14.6
|
1.0
|
|
CG
|
E:ASP556
|
3.4
|
16.0
|
1.0
|
|
CG
|
E:ASN482
|
3.4
|
18.3
|
1.0
|
|
C
|
E:VAL454
|
3.6
|
17.2
|
1.0
|
|
HB3
|
E:ASP556
|
3.6
|
17.8
|
1.0
|
|
H
|
E:ASN482
|
3.6
|
16.5
|
1.0
|
|
H
|
E:SER483
|
3.6
|
18.8
|
1.0
|
|
H
|
E:VAL454
|
3.7
|
17.7
|
1.0
|
|
HD21
|
E:ASN482
|
3.8
|
20.6
|
1.0
|
|
HD23
|
E:LEU560
|
3.8
|
19.0
|
1.0
|
|
HB
|
E:VAL454
|
3.8
|
23.4
|
1.0
|
|
HB3
|
E:SER483
|
3.8
|
19.4
|
1.0
|
|
CB
|
E:ASP556
|
3.9
|
14.8
|
1.0
|
|
HA
|
E:ALA455
|
4.0
|
20.3
|
1.0
|
|
HB2
|
E:ASP556
|
4.0
|
17.8
|
1.0
|
|
ND2
|
E:ASN482
|
4.0
|
17.2
|
1.0
|
|
HD3
|
E:PRO456
|
4.0
|
16.6
|
1.0
|
|
HG
|
E:SER483
|
4.0
|
18.4
|
1.0
|
|
CB
|
E:ASP452
|
4.1
|
13.7
|
1.0
|
|
N
|
E:ASN482
|
4.2
|
13.8
|
1.0
|
|
CB
|
E:ASP481
|
4.2
|
12.6
|
1.0
|
|
HB3
|
E:ASP452
|
4.3
|
16.5
|
1.0
|
|
CA
|
E:VAL454
|
4.4
|
13.8
|
1.0
|
|
N
|
E:VAL454
|
4.4
|
14.8
|
1.0
|
|
N
|
E:SER483
|
4.4
|
15.6
|
1.0
|
|
HB3
|
E:LEU560
|
4.4
|
18.3
|
1.0
|
|
OD1
|
E:ASP556
|
4.4
|
15.9
|
1.0
|
|
O
|
E:HOH1728
|
4.4
|
18.2
|
1.0
|
|
C
|
E:ALA455
|
4.5
|
16.0
|
1.0
|
|
N
|
E:ALA455
|
4.5
|
17.9
|
1.0
|
|
CA
|
E:ALA455
|
4.5
|
16.9
|
1.0
|
|
CB
|
E:VAL454
|
4.5
|
19.5
|
1.0
|
|
O
|
E:HOH1627
|
4.6
|
20.3
|
1.0
|
|
CB
|
E:SER483
|
4.6
|
16.1
|
1.0
|
|
CB
|
E:ASN482
|
4.6
|
17.1
|
1.0
|
|
OG
|
E:SER483
|
4.6
|
15.3
|
1.0
|
|
HB2
|
E:ASP452
|
4.6
|
16.5
|
1.0
|
|
HB3
|
E:ASP481
|
4.6
|
15.2
|
1.0
|
|
HG3
|
E:PRO456
|
4.6
|
17.3
|
1.0
|
|
N
|
E:PRO456
|
4.6
|
12.9
|
1.0
|
|
HB2
|
E:ASP481
|
4.7
|
15.2
|
1.0
|
|
CD2
|
E:LEU560
|
4.7
|
15.8
|
1.0
|
|
CD
|
E:PRO456
|
4.7
|
13.9
|
1.0
|
|
HG12
|
E:VAL454
|
4.7
|
23.4
|
1.0
|
|
HA
|
E:ASP481
|
4.8
|
15.4
|
1.0
|
|
HB3
|
E:ASN482
|
4.8
|
20.5
|
1.0
|
|
CA
|
E:ASN482
|
4.8
|
17.5
|
1.0
|
|
HD22
|
E:ASN482
|
4.9
|
20.6
|
1.0
|
|
O
|
E:ALA455
|
4.9
|
14.9
|
1.0
|
|
HA
|
E:PRO456
|
4.9
|
16.6
|
1.0
|
|
CA
|
E:ASP481
|
4.9
|
12.8
|
1.0
|
|
C
|
E:ASP481
|
5.0
|
12.9
|
1.0
|
|
HA
|
E:ASP452
|
5.0
|
16.1
|
1.0
|
|
HG
|
E:SER558
|
5.0
|
20.6
|
1.0
|
|
Calcium binding site 7 out
of 8 in 6vt2
Go back to
Calcium Binding Sites List in 6vt2
Calcium binding site 7 out
of 8 in the Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1404
b:13.2
occ:1.00
|
OD2
|
E:ASP355
|
2.1
|
16.1
|
1.0
|
|
O
|
E:HOH2000
|
2.2
|
16.6
|
1.0
|
|
OD2
|
E:ASP253
|
2.5
|
16.7
|
1.0
|
|
O
|
E:THR255
|
2.5
|
14.3
|
1.0
|
|
OD1
|
E:ASP281
|
2.5
|
14.3
|
1.0
|
|
OD2
|
E:ASP281
|
2.5
|
13.8
|
1.0
|
|
OD1
|
E:ASP253
|
2.5
|
16.0
|
1.0
|
|
CG
|
E:ASP253
|
2.7
|
18.4
|
1.0
|
|
CG
|
E:ASP281
|
2.8
|
13.5
|
1.0
|
|
CG
|
E:ASP355
|
3.3
|
14.2
|
1.0
|
|
HD22
|
E:ASN359
|
3.3
|
16.6
|
1.0
|
|
H
|
E:THR255
|
3.4
|
14.8
|
0.2
|
|
H
|
E:THR255
|
3.4
|
14.8
|
0.8
|
|
C
|
E:THR255
|
3.5
|
15.0
|
1.0
|
|
HB
|
E:THR255
|
3.6
|
18.8
|
1.0
|
|
HB3
|
E:ASP355
|
3.6
|
15.0
|
1.0
|
|
HB2
|
E:ASP355
|
3.8
|
15.0
|
1.0
|
|
CB
|
E:ASP355
|
3.8
|
12.5
|
1.0
|
|
H
|
E:SER283
|
3.9
|
16.7
|
1.0
|
|
HB3
|
E:SER283
|
4.0
|
16.0
|
1.0
|
|
ND2
|
E:ASN359
|
4.1
|
13.8
|
1.0
|
|
HB2
|
E:ASN359
|
4.1
|
12.9
|
1.0
|
|
HG
|
E:SER283
|
4.1
|
16.3
|
1.0
|
|
N
|
E:THR255
|
4.1
|
12.3
|
1.0
|
|
O
|
E:HOH1775
|
4.1
|
21.3
|
1.0
|
|
HA
|
E:PRO256
|
4.2
|
15.6
|
1.0
|
|
CB
|
E:ASP253
|
4.2
|
16.0
|
1.0
|
|
H
|
E:ASP282
|
4.2
|
16.8
|
1.0
|
|
CA
|
E:THR255
|
4.3
|
13.0
|
1.0
|
|
CB
|
E:ASP281
|
4.3
|
10.4
|
1.0
|
|
OD1
|
E:ASP355
|
4.3
|
12.8
|
1.0
|
|
CB
|
E:THR255
|
4.3
|
15.6
|
1.0
|
|
O
|
E:HOH1871
|
4.3
|
16.4
|
1.0
|
|
HD21
|
E:ASN359
|
4.4
|
16.6
|
1.0
|
|
N
|
E:PRO256
|
4.5
|
11.5
|
1.0
|
|
C
|
E:PRO256
|
4.5
|
10.9
|
1.0
|
|
OG
|
E:SER283
|
4.5
|
13.6
|
1.0
|
|
CA
|
E:PRO256
|
4.6
|
13.0
|
1.0
|
|
HB3
|
E:ASP253
|
4.6
|
19.2
|
1.0
|
|
HG22
|
E:THR255
|
4.6
|
20.5
|
1.0
|
|
HD3
|
E:PRO257
|
4.6
|
11.9
|
1.0
|
|
HB2
|
E:ASP253
|
4.7
|
19.2
|
1.0
|
|
O
|
E:PRO256
|
4.7
|
11.9
|
1.0
|
|
CB
|
E:SER283
|
4.7
|
13.3
|
1.0
|
|
HB3
|
E:ASP281
|
4.7
|
12.5
|
1.0
|
|
HB2
|
E:ASP281
|
4.7
|
12.5
|
1.0
|
|
N
|
E:SER283
|
4.7
|
13.9
|
1.0
|
|
N
|
E:ASP282
|
4.8
|
14.0
|
1.0
|
|
HB2
|
E:ASP282
|
4.8
|
22.2
|
1.0
|
|
CB
|
E:ASN359
|
4.8
|
10.7
|
1.0
|
|
HB3
|
E:ALA357
|
4.9
|
23.0
|
1.0
|
|
HA
|
E:ASP281
|
4.9
|
13.2
|
1.0
|
|
N
|
E:PRO257
|
4.9
|
11.0
|
1.0
|
|
CG
|
E:ASN359
|
4.9
|
14.8
|
1.0
|
|
HA
|
E:PRO257
|
5.0
|
14.0
|
1.0
|
|
Calcium binding site 8 out
of 8 in 6vt2
Go back to
Calcium Binding Sites List in 6vt2
Calcium binding site 8 out
of 8 in the Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1405
b:15.6
occ:1.00
|
OD2
|
E:ASP441
|
2.3
|
15.9
|
1.0
|
|
O
|
E:THR379
|
2.3
|
14.1
|
1.0
|
|
O
|
E:HOH1895
|
2.4
|
23.0
|
1.0
|
|
O
|
E:HOH2023
|
2.4
|
20.1
|
1.0
|
|
O
|
E:TYR382
|
2.4
|
16.9
|
1.0
|
|
O
|
E:HOH1938
|
2.5
|
19.7
|
1.0
|
|
OD1
|
E:ASP441
|
2.6
|
16.7
|
1.0
|
|
OG1
|
E:THR379
|
2.6
|
15.5
|
1.0
|
|
CG
|
E:ASP441
|
2.7
|
15.4
|
1.0
|
|
HG1
|
E:THR379
|
3.1
|
18.6
|
1.0
|
|
C
|
E:THR379
|
3.3
|
12.7
|
1.0
|
|
HA
|
E:THR379
|
3.4
|
13.6
|
1.0
|
|
HA
|
E:THR383
|
3.6
|
22.9
|
1.0
|
|
C
|
E:TYR382
|
3.6
|
15.0
|
1.0
|
|
CA
|
E:THR379
|
3.7
|
11.3
|
1.0
|
|
HD3
|
E:PRO384
|
3.7
|
20.5
|
1.0
|
|
CB
|
E:THR379
|
3.7
|
13.8
|
1.0
|
|
HE2
|
E:TYR435
|
3.9
|
12.6
|
1.0
|
|
HH
|
E:TYR435
|
4.0
|
16.9
|
1.0
|
|
HG23
|
E:THR379
|
4.1
|
15.3
|
1.0
|
|
CB
|
E:ASP441
|
4.3
|
14.1
|
1.0
|
|
H
|
E:TYR382
|
4.3
|
16.9
|
1.0
|
|
HD2
|
E:PRO384
|
4.3
|
20.5
|
1.0
|
|
HA
|
E:GLU380
|
4.4
|
15.3
|
1.0
|
|
CA
|
E:THR383
|
4.4
|
19.0
|
1.0
|
|
HB
|
E:THR379
|
4.4
|
16.5
|
1.0
|
|
N
|
E:THR383
|
4.4
|
17.1
|
1.0
|
|
CD
|
E:PRO384
|
4.5
|
17.1
|
1.0
|
|
CG2
|
E:THR379
|
4.5
|
12.8
|
1.0
|
|
N
|
E:GLU380
|
4.5
|
11.7
|
1.0
|
|
HB2
|
E:TYR382
|
4.5
|
15.9
|
1.0
|
|
O
|
E:HOH2001
|
4.5
|
38.4
|
1.0
|
|
HB2
|
E:ASP441
|
4.6
|
16.9
|
1.0
|
|
CA
|
E:TYR382
|
4.7
|
13.8
|
1.0
|
|
OH
|
E:TYR435
|
4.7
|
14.1
|
1.0
|
|
HB3
|
E:ASP441
|
4.7
|
16.9
|
1.0
|
|
CE2
|
E:TYR435
|
4.7
|
10.5
|
1.0
|
|
N
|
E:TYR382
|
4.7
|
14.0
|
1.0
|
|
OG1
|
E:THR383
|
4.7
|
26.0
|
1.0
|
|
O
|
E:THR440
|
4.8
|
14.3
|
1.0
|
|
HA
|
E:ASP441
|
4.8
|
15.3
|
1.0
|
|
CA
|
E:GLU380
|
4.9
|
12.8
|
1.0
|
|
HG21
|
E:THR379
|
4.9
|
15.3
|
1.0
|
|
HG1
|
E:THR383
|
4.9
|
31.2
|
1.0
|
|
HG23
|
E:THR383
|
5.0
|
32.0
|
1.0
|
|
Reference:
H.E.Stubbs,
T.M.Iverson.
Sialic Acid Binding Region of Streptococcus Sanguinis SK1 Adhesin To Be Published.
Page generated: Tue Jul 16 17:14:00 2024
|
