Zinc in PDB 2as9: Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus
Protein crystallography data
The structure of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus, PDB code: 2as9
was solved by
G.M.Popowicz,
G.Dubin,
J.Stec-Niemczyk,
A.Czarny,
A.Dubin,
J.Potempa,
T.A.Holak,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
1.70
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
53.120,
81.400,
107.390,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
21.1 /
24.3
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus
(pdb code 2as9). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the
Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus, PDB code: 2as9:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
Zinc binding site 1 out
of 7 in 2as9
Go back to
Zinc Binding Sites List in 2as9
Zinc binding site 1 out
of 7 in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn333
b:29.9
occ:1.00
|
NE2
|
A:HIS207
|
2.0
|
32.3
|
1.0
|
NE2
|
A:HIS205
|
2.1
|
17.8
|
1.0
|
CE1
|
A:HIS207
|
3.0
|
32.5
|
1.0
|
CD2
|
A:HIS207
|
3.0
|
30.2
|
1.0
|
CD2
|
A:HIS205
|
3.1
|
18.6
|
1.0
|
CE1
|
A:HIS205
|
3.1
|
16.9
|
1.0
|
ND1
|
A:HIS207
|
4.1
|
32.1
|
1.0
|
CG
|
A:HIS207
|
4.1
|
28.6
|
1.0
|
ND1
|
A:HIS205
|
4.2
|
18.1
|
1.0
|
CG
|
A:HIS205
|
4.2
|
18.0
|
1.0
|
O
|
A:HOH759
|
4.7
|
22.8
|
1.0
|
|
Zinc binding site 2 out
of 7 in 2as9
Go back to
Zinc Binding Sites List in 2as9
Zinc binding site 2 out
of 7 in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn666
b:17.1
occ:1.00
|
NE2
|
A:HIS206
|
2.0
|
18.7
|
1.0
|
OE1
|
A:GLU86
|
2.0
|
16.5
|
1.0
|
NZ
|
A:LYS32
|
2.1
|
15.7
|
1.0
|
O
|
A:HOH911
|
2.2
|
18.1
|
1.0
|
O
|
A:HOH676
|
2.7
|
22.3
|
1.0
|
CD
|
A:GLU86
|
2.9
|
15.9
|
1.0
|
CE
|
A:LYS32
|
3.0
|
14.5
|
1.0
|
CE1
|
A:HIS206
|
3.0
|
16.2
|
1.0
|
CD2
|
A:HIS206
|
3.0
|
18.6
|
1.0
|
OE2
|
A:GLU86
|
3.1
|
15.1
|
1.0
|
OD1
|
A:ASN99
|
4.0
|
17.1
|
1.0
|
ND1
|
A:HIS206
|
4.1
|
17.0
|
1.0
|
CG
|
A:HIS206
|
4.2
|
18.2
|
1.0
|
OD1
|
A:ASN97
|
4.2
|
17.4
|
1.0
|
CG
|
A:GLU86
|
4.3
|
15.9
|
1.0
|
CD
|
A:LYS32
|
4.4
|
13.7
|
1.0
|
ND2
|
A:ASN97
|
4.7
|
13.3
|
1.0
|
CG
|
A:LYS32
|
4.9
|
13.2
|
1.0
|
CG
|
A:ASN97
|
4.9
|
15.3
|
1.0
|
CG
|
A:ASN99
|
4.9
|
14.4
|
1.0
|
|
Zinc binding site 3 out
of 7 in 2as9
Go back to
Zinc Binding Sites List in 2as9
Zinc binding site 3 out
of 7 in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn888
b:31.9
occ:1.00
|
O
|
A:HOH928
|
2.0
|
31.6
|
1.0
|
OD1
|
A:ASP44
|
2.1
|
25.2
|
1.0
|
O
|
A:HOH929
|
2.2
|
28.3
|
1.0
|
O
|
A:HOH915
|
2.4
|
43.8
|
1.0
|
CG
|
A:ASP44
|
3.0
|
26.3
|
1.0
|
OD2
|
A:ASP44
|
3.2
|
27.4
|
1.0
|
O
|
A:HOH717
|
3.8
|
21.3
|
1.0
|
OD2
|
A:ASP24
|
4.3
|
24.0
|
1.0
|
CB
|
A:ASP44
|
4.4
|
25.7
|
1.0
|
O
|
A:HOH815
|
4.5
|
29.0
|
1.0
|
O
|
A:HOH930
|
4.6
|
43.1
|
1.0
|
O
|
A:HIS40
|
4.7
|
22.1
|
1.0
|
O
|
A:HOH773
|
4.7
|
21.2
|
1.0
|
|
Zinc binding site 4 out
of 7 in 2as9
Go back to
Zinc Binding Sites List in 2as9
Zinc binding site 4 out
of 7 in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn1777
b:49.4
occ:1.00
|
O
|
A:HOH898
|
2.2
|
40.9
|
1.0
|
O
|
A:HOH730
|
4.4
|
19.5
|
1.0
|
OE2
|
A:GLU85
|
4.5
|
24.8
|
1.0
|
O
|
A:HIS207
|
4.5
|
27.3
|
1.0
|
OE1
|
A:GLU85
|
4.9
|
27.2
|
1.0
|
|
Zinc binding site 5 out
of 7 in 2as9
Go back to
Zinc Binding Sites List in 2as9
Zinc binding site 5 out
of 7 in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn222
b:13.8
occ:1.00
|
NE2
|
B:HIS205
|
2.0
|
15.5
|
1.0
|
OD2
|
A:ASP114
|
2.0
|
15.5
|
1.0
|
ND1
|
B:HIS201
|
2.0
|
14.6
|
1.0
|
O
|
B:HOH667
|
2.4
|
3.3
|
1.0
|
CG
|
A:ASP114
|
2.7
|
15.4
|
1.0
|
OD1
|
A:ASP114
|
2.7
|
18.4
|
1.0
|
CE1
|
B:HIS201
|
2.9
|
13.0
|
1.0
|
CE1
|
B:HIS205
|
3.0
|
16.3
|
1.0
|
CD2
|
B:HIS205
|
3.0
|
14.6
|
1.0
|
CG
|
B:HIS201
|
3.1
|
14.2
|
1.0
|
CB
|
B:HIS201
|
3.6
|
13.2
|
1.0
|
OG
|
B:SER69
|
4.0
|
18.2
|
1.0
|
NE2
|
B:HIS201
|
4.1
|
14.9
|
1.0
|
ND1
|
B:HIS205
|
4.1
|
14.0
|
1.0
|
OG
|
B:SER71
|
4.1
|
14.2
|
1.0
|
CG
|
B:HIS205
|
4.1
|
13.5
|
1.0
|
CB
|
A:ASP114
|
4.2
|
14.2
|
1.0
|
CD2
|
B:HIS201
|
4.2
|
14.8
|
1.0
|
CA
|
B:HIS201
|
4.2
|
13.3
|
1.0
|
O
|
B:HIS201
|
4.5
|
11.8
|
1.0
|
O
|
A:HOH710
|
4.5
|
26.1
|
1.0
|
CG2
|
B:VAL81
|
4.6
|
15.5
|
1.0
|
CB
|
B:ASN83
|
4.6
|
14.5
|
1.0
|
O
|
B:HOH810
|
4.7
|
26.8
|
1.0
|
C
|
B:HIS201
|
4.7
|
13.2
|
1.0
|
CB
|
B:SER71
|
4.8
|
14.0
|
1.0
|
CG2
|
A:VAL113
|
5.0
|
14.7
|
1.0
|
|
Zinc binding site 6 out
of 7 in 2as9
Go back to
Zinc Binding Sites List in 2as9
Zinc binding site 6 out
of 7 in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn444
b:18.6
occ:1.00
|
OE1
|
B:GLU86
|
1.8
|
19.9
|
1.0
|
NE2
|
B:HIS206
|
2.0
|
16.9
|
1.0
|
O
|
B:HOH749
|
2.4
|
25.3
|
1.0
|
CD
|
B:GLU86
|
2.7
|
20.5
|
1.0
|
OE2
|
B:GLU86
|
2.9
|
17.7
|
1.0
|
CE1
|
B:HIS206
|
3.0
|
18.4
|
1.0
|
CD2
|
B:HIS206
|
3.0
|
17.1
|
1.0
|
CG
|
B:GLU86
|
4.1
|
18.7
|
1.0
|
ND1
|
B:HIS206
|
4.1
|
17.8
|
1.0
|
CG
|
B:HIS206
|
4.2
|
16.1
|
1.0
|
ND2
|
B:ASN97
|
4.2
|
20.7
|
1.0
|
OD1
|
B:ASN99
|
4.3
|
15.1
|
1.0
|
O
|
B:HOH785
|
5.0
|
20.9
|
1.0
|
|
Zinc binding site 7 out
of 7 in 2as9
Go back to
Zinc Binding Sites List in 2as9
Zinc binding site 7 out
of 7 in the Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus within 5.0Å range:
|
Reference:
G.M.Popowicz,
G.Dubin,
J.Stec-Niemczyk,
A.Czarny,
A.Dubin,
J.Potempa,
T.A.Holak.
Functional and Structural Characterization of Spl Proteases From Staphylococcus Aureus J.Mol.Biol. V. 358 270 2006.
ISSN: ISSN 0022-2836
PubMed: 16516230
DOI: 10.1016/J.JMB.2006.01.098
Page generated: Wed Oct 16 21:48:24 2024
|