Calcium in PDB 3b9x: Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine
Enzymatic activity of Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine
All present enzymatic activity of Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine:
3.2.2.8;
Protein crystallography data
The structure of Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine, PDB code: 3b9x
was solved by
E.Iovane,
M.Degano,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
81.92 /
2.30
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
45.112,
82.406,
90.163,
67.90,
79.59,
89.65
|
R / Rfree (%)
|
20.1 /
25.5
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine
(pdb code 3b9x). 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 the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine, PDB code: 3b9x:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 3b9x
Go back to
Calcium Binding Sites List in 3b9x
Calcium binding site 1 out
of 4 in the Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine
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 the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca400
b:15.6
occ:1.00
|
O2'
|
A:NOS401
|
2.2
|
32.4
|
1.0
|
O3'
|
A:NOS401
|
2.3
|
20.0
|
1.0
|
O
|
A:VAL124
|
2.4
|
10.1
|
1.0
|
OD1
|
A:ASP16
|
2.4
|
10.4
|
1.0
|
OD1
|
A:ASP11
|
2.5
|
22.4
|
1.0
|
OD2
|
A:ASP240
|
2.6
|
19.0
|
1.0
|
O
|
A:HOH502
|
2.7
|
26.0
|
1.0
|
OD2
|
A:ASP16
|
2.8
|
13.9
|
1.0
|
CG
|
A:ASP16
|
2.9
|
20.9
|
1.0
|
C2'
|
A:NOS401
|
3.1
|
29.4
|
1.0
|
C3'
|
A:NOS401
|
3.1
|
31.8
|
1.0
|
CG
|
A:ASP240
|
3.5
|
23.1
|
1.0
|
C
|
A:VAL124
|
3.5
|
15.9
|
1.0
|
CG
|
A:ASP11
|
3.6
|
21.2
|
1.0
|
OD1
|
A:ASN40
|
3.7
|
25.1
|
1.0
|
OD1
|
A:ASP240
|
3.8
|
20.9
|
1.0
|
OD2
|
A:ASP11
|
3.9
|
21.2
|
1.0
|
CA
|
A:GLY125
|
4.2
|
15.7
|
1.0
|
C1'
|
A:NOS401
|
4.2
|
32.9
|
1.0
|
C4'
|
A:NOS401
|
4.2
|
28.9
|
1.0
|
N
|
A:GLY125
|
4.2
|
16.0
|
1.0
|
CG2
|
A:VAL124
|
4.3
|
8.5
|
1.0
|
CB
|
A:ASP16
|
4.4
|
13.5
|
1.0
|
O4'
|
A:NOS401
|
4.4
|
31.4
|
1.0
|
ND2
|
A:ASN166
|
4.5
|
8.8
|
1.0
|
CB
|
A:VAL124
|
4.6
|
12.4
|
1.0
|
OD1
|
A:ASN166
|
4.6
|
15.5
|
1.0
|
N
|
A:ASP11
|
4.6
|
15.4
|
1.0
|
CA
|
A:VAL124
|
4.7
|
13.1
|
1.0
|
O
|
A:ASP11
|
4.7
|
15.5
|
1.0
|
OD1
|
A:ASP15
|
4.7
|
24.8
|
1.0
|
CG
|
A:ASN40
|
4.7
|
24.8
|
1.0
|
OD2
|
A:ASP15
|
4.8
|
28.7
|
1.0
|
N
|
A:ASP16
|
4.8
|
16.6
|
1.0
|
CB
|
A:ASP240
|
4.8
|
19.1
|
1.0
|
CB
|
A:ASP11
|
4.9
|
16.1
|
1.0
|
CA
|
A:ASP16
|
4.9
|
13.9
|
1.0
|
C
|
A:ASP11
|
5.0
|
16.5
|
1.0
|
|
Calcium binding site 2 out
of 4 in 3b9x
Go back to
Calcium Binding Sites List in 3b9x
Calcium binding site 2 out
of 4 in the Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine
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 the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca400
b:17.9
occ:1.00
|
O
|
B:VAL124
|
2.4
|
9.9
|
1.0
|
OD1
|
B:ASP11
|
2.4
|
22.9
|
1.0
|
O2'
|
B:NOS401
|
2.4
|
26.3
|
1.0
|
OD1
|
B:ASP16
|
2.5
|
11.3
|
1.0
|
O
|
B:HOH404
|
2.6
|
10.7
|
1.0
|
OD2
|
B:ASP240
|
2.6
|
19.2
|
1.0
|
O3'
|
B:NOS401
|
2.7
|
12.0
|
1.0
|
OD2
|
B:ASP16
|
2.8
|
13.7
|
1.0
|
CG
|
B:ASP16
|
2.9
|
20.8
|
1.0
|
C2'
|
B:NOS401
|
3.4
|
28.5
|
1.0
|
CG
|
B:ASP11
|
3.4
|
20.9
|
1.0
|
C
|
B:VAL124
|
3.5
|
15.8
|
1.0
|
C3'
|
B:NOS401
|
3.6
|
25.8
|
1.0
|
OD1
|
B:ASN40
|
3.6
|
24.7
|
1.0
|
CG
|
B:ASP240
|
3.7
|
23.4
|
1.0
|
OD2
|
B:ASP11
|
3.7
|
21.5
|
1.0
|
OD1
|
B:ASP240
|
4.0
|
20.6
|
1.0
|
CA
|
B:GLY125
|
4.1
|
15.8
|
1.0
|
C1'
|
B:NOS401
|
4.1
|
31.6
|
1.0
|
N
|
B:GLY125
|
4.2
|
15.7
|
1.0
|
CG2
|
B:VAL124
|
4.4
|
8.5
|
1.0
|
CB
|
B:ASP16
|
4.4
|
13.6
|
1.0
|
ND2
|
B:ASN166
|
4.4
|
8.5
|
1.0
|
OD1
|
B:ASN166
|
4.5
|
15.3
|
1.0
|
C4'
|
B:NOS401
|
4.5
|
26.4
|
1.0
|
N
|
B:ASP11
|
4.6
|
15.9
|
1.0
|
CG
|
B:ASN40
|
4.6
|
25.0
|
1.0
|
O4'
|
B:NOS401
|
4.6
|
25.8
|
1.0
|
CB
|
B:VAL124
|
4.6
|
11.9
|
1.0
|
CA
|
B:VAL124
|
4.7
|
13.5
|
1.0
|
O
|
B:ASP11
|
4.7
|
16.5
|
1.0
|
CB
|
B:ASP11
|
4.8
|
16.2
|
1.0
|
OD2
|
B:ASP15
|
4.8
|
29.4
|
1.0
|
N
|
B:ASP16
|
4.9
|
16.5
|
1.0
|
OD1
|
B:ASP15
|
4.9
|
25.2
|
1.0
|
CG
|
B:ASN166
|
4.9
|
14.5
|
1.0
|
C
|
B:ASP11
|
4.9
|
16.3
|
1.0
|
CB
|
B:ASP240
|
5.0
|
19.4
|
1.0
|
CA
|
B:ASP16
|
5.0
|
13.6
|
1.0
|
|
Calcium binding site 3 out
of 4 in 3b9x
Go back to
Calcium Binding Sites List in 3b9x
Calcium binding site 3 out
of 4 in the Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine
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 the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca400
b:17.6
occ:1.00
|
O
|
C:HOH433
|
2.4
|
18.4
|
1.0
|
OD1
|
C:ASP11
|
2.5
|
23.4
|
1.0
|
O
|
C:VAL124
|
2.6
|
11.0
|
1.0
|
OD2
|
C:ASP16
|
2.6
|
13.7
|
1.0
|
O2'
|
C:NOS401
|
2.6
|
39.4
|
1.0
|
OD1
|
C:ASP16
|
2.6
|
11.5
|
1.0
|
OD2
|
C:ASP240
|
2.7
|
19.5
|
1.0
|
O3'
|
C:NOS401
|
2.9
|
36.4
|
1.0
|
CG
|
C:ASP16
|
2.9
|
20.9
|
1.0
|
CG
|
C:ASP11
|
3.5
|
21.5
|
1.0
|
OD1
|
C:ASN40
|
3.5
|
24.6
|
1.0
|
C2'
|
C:NOS401
|
3.7
|
40.6
|
1.0
|
CG
|
C:ASP240
|
3.7
|
23.2
|
1.0
|
C
|
C:VAL124
|
3.7
|
15.3
|
1.0
|
OD2
|
C:ASP11
|
3.7
|
21.7
|
1.0
|
C3'
|
C:NOS401
|
3.8
|
41.1
|
1.0
|
OD1
|
C:ASP240
|
4.0
|
21.0
|
1.0
|
CA
|
C:GLY125
|
4.3
|
15.6
|
1.0
|
C1'
|
C:NOS401
|
4.4
|
41.9
|
1.0
|
N
|
C:GLY125
|
4.4
|
15.6
|
1.0
|
CB
|
C:ASP16
|
4.4
|
13.8
|
1.0
|
OD1
|
C:ASN166
|
4.5
|
15.7
|
1.0
|
C4'
|
C:NOS401
|
4.5
|
36.7
|
1.0
|
CG
|
C:ASN40
|
4.5
|
25.0
|
1.0
|
ND2
|
C:ASN166
|
4.5
|
8.7
|
1.0
|
CG2
|
C:VAL124
|
4.6
|
8.4
|
1.0
|
O
|
C:ASP11
|
4.7
|
16.5
|
1.0
|
N
|
C:ASP11
|
4.7
|
15.8
|
1.0
|
O4'
|
C:NOS401
|
4.7
|
43.6
|
1.0
|
OD1
|
C:ASP15
|
4.8
|
25.3
|
1.0
|
OD2
|
C:ASP15
|
4.8
|
29.5
|
1.0
|
CB
|
C:ASP11
|
4.8
|
16.0
|
1.0
|
CB
|
C:VAL124
|
4.9
|
12.0
|
1.0
|
CA
|
C:VAL124
|
4.9
|
13.4
|
1.0
|
ND2
|
C:ASN40
|
4.9
|
21.1
|
1.0
|
N
|
C:ASP16
|
4.9
|
16.9
|
1.0
|
CG
|
C:ASN166
|
4.9
|
14.8
|
1.0
|
C
|
C:ASP11
|
5.0
|
16.7
|
1.0
|
|
Calcium binding site 4 out
of 4 in 3b9x
Go back to
Calcium Binding Sites List in 3b9x
Calcium binding site 4 out
of 4 in the Crystal Structure of the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine
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 the E. Coli Pyrimidine Nucleoside Hydrolase Yeik in Complex with Inosine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca400
b:17.2
occ:1.00
|
O2'
|
D:NOS401
|
2.3
|
24.2
|
1.0
|
OD1
|
D:ASP16
|
2.4
|
10.8
|
1.0
|
O
|
D:VAL124
|
2.4
|
10.5
|
1.0
|
OD2
|
D:ASP240
|
2.5
|
19.1
|
1.0
|
OD1
|
D:ASP11
|
2.5
|
23.5
|
1.0
|
OD2
|
D:ASP16
|
2.6
|
13.6
|
1.0
|
O3'
|
D:NOS401
|
2.7
|
19.6
|
1.0
|
O
|
D:HOH417
|
2.7
|
16.9
|
1.0
|
CG
|
D:ASP16
|
2.8
|
20.7
|
1.0
|
C2'
|
D:NOS401
|
3.4
|
25.5
|
1.0
|
CG
|
D:ASP240
|
3.5
|
23.2
|
1.0
|
CG
|
D:ASP11
|
3.5
|
21.2
|
1.0
|
C
|
D:VAL124
|
3.6
|
15.9
|
1.0
|
C3'
|
D:NOS401
|
3.6
|
26.6
|
1.0
|
OD1
|
D:ASN40
|
3.7
|
24.7
|
1.0
|
OD1
|
D:ASP240
|
3.9
|
20.7
|
1.0
|
OD2
|
D:ASP11
|
3.9
|
21.5
|
1.0
|
C1'
|
D:NOS401
|
4.1
|
35.9
|
1.0
|
CA
|
D:GLY125
|
4.2
|
15.8
|
1.0
|
N
|
D:GLY125
|
4.2
|
15.8
|
1.0
|
CB
|
D:ASP16
|
4.2
|
13.6
|
1.0
|
CG2
|
D:VAL124
|
4.5
|
8.4
|
1.0
|
O4'
|
D:NOS401
|
4.5
|
37.8
|
1.0
|
N
|
D:ASP11
|
4.5
|
15.5
|
1.0
|
ND2
|
D:ASN166
|
4.6
|
8.9
|
1.0
|
OD1
|
D:ASN166
|
4.6
|
15.4
|
1.0
|
C4'
|
D:NOS401
|
4.6
|
30.7
|
1.0
|
CB
|
D:VAL124
|
4.6
|
11.9
|
1.0
|
CG
|
D:ASN40
|
4.7
|
24.7
|
1.0
|
CA
|
D:VAL124
|
4.7
|
13.2
|
1.0
|
N
|
D:ASP16
|
4.7
|
16.6
|
1.0
|
O
|
D:ASP11
|
4.8
|
16.3
|
1.0
|
OD2
|
D:ASP15
|
4.8
|
29.4
|
1.0
|
CB
|
D:ASP240
|
4.8
|
19.2
|
1.0
|
CA
|
D:ASP16
|
4.9
|
13.9
|
1.0
|
CB
|
D:ASP11
|
4.9
|
15.9
|
1.0
|
C
|
D:ASP11
|
4.9
|
16.7
|
1.0
|
OD1
|
D:ASP15
|
5.0
|
25.3
|
1.0
|
|
Reference:
E.Iovane,
B.Giabbai,
L.Muzzolini,
V.Matafora,
A.Fornili,
C.Minici,
F.Giannese,
M.Degano.
Structural Basis For Substrate Specificity in Group I Nucleoside Hydrolases Biochemistry V. 47 4418 2008.
ISSN: ISSN 0006-2960
PubMed: 18361502
DOI: 10.1021/BI702448S
Page generated: Sat Jul 13 08:11:19 2024
|