Zinc in PDB 3ez5: Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form).
Enzymatic activity of Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form).
All present enzymatic activity of Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form).:
2.7.7.7;
Protein crystallography data
The structure of Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form)., PDB code: 3ez5
was solved by
J.J.Warren,
E.Y.Wu,
A.A.Golosov,
M.Karplus,
L.S.Beese,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.83 /
1.90
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
92.551,
108.572,
149.756,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
21.1 /
24.4
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form).
(pdb code 3ez5). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the
Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form)., PDB code: 3ez5:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
Zinc binding site 1 out
of 5 in 3ez5
Go back to
Zinc Binding Sites List in 3ez5
Zinc binding site 1 out
of 5 in the Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form).
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn4
b:29.5
occ:0.30
|
O2G
|
A:DAD201
|
1.9
|
42.2
|
1.0
|
O2B
|
A:DAD201
|
1.9
|
41.6
|
1.0
|
OD2
|
A:ASP830
|
2.0
|
40.6
|
1.0
|
O
|
A:TYR654
|
2.0
|
40.1
|
1.0
|
O2A
|
A:DAD201
|
2.2
|
39.0
|
1.0
|
OD1
|
A:ASP653
|
2.7
|
50.1
|
1.0
|
CG
|
A:ASP830
|
3.1
|
36.8
|
1.0
|
C
|
A:TYR654
|
3.2
|
40.1
|
1.0
|
PB
|
A:DAD201
|
3.2
|
40.0
|
1.0
|
PG
|
A:DAD201
|
3.3
|
43.3
|
1.0
|
CG
|
A:ASP653
|
3.4
|
44.3
|
1.0
|
PA
|
A:DAD201
|
3.5
|
38.3
|
1.0
|
OD2
|
A:ASP653
|
3.6
|
48.6
|
1.0
|
O3B
|
A:DAD201
|
3.6
|
39.5
|
1.0
|
OD1
|
A:ASP830
|
3.6
|
36.9
|
1.0
|
ZN
|
A:ZN5
|
3.7
|
32.1
|
0.2
|
O3A
|
A:DAD201
|
3.8
|
38.1
|
1.0
|
N
|
A:TYR654
|
4.1
|
39.5
|
1.0
|
N
|
A:SER655
|
4.1
|
40.1
|
1.0
|
CA
|
A:TYR654
|
4.1
|
39.9
|
1.0
|
C5'
|
A:DAD201
|
4.2
|
38.1
|
1.0
|
CA
|
A:SER655
|
4.2
|
40.6
|
1.0
|
N
|
A:GLN656
|
4.2
|
41.1
|
1.0
|
O3G
|
A:DAD201
|
4.3
|
44.0
|
1.0
|
CB
|
A:ASP830
|
4.4
|
33.2
|
1.0
|
O5'
|
A:DAD201
|
4.4
|
39.4
|
1.0
|
C
|
A:SER655
|
4.5
|
40.8
|
1.0
|
O1G
|
A:DAD201
|
4.5
|
39.5
|
1.0
|
CB
|
A:TYR654
|
4.5
|
39.7
|
1.0
|
C
|
A:ASP653
|
4.6
|
40.2
|
1.0
|
O1B
|
A:DAD201
|
4.6
|
40.5
|
1.0
|
CG2
|
A:ILE657
|
4.7
|
40.8
|
1.0
|
CB
|
A:ASP653
|
4.7
|
41.6
|
1.0
|
N
|
A:ILE657
|
4.7
|
41.5
|
1.0
|
O
|
A:ASP830
|
4.7
|
33.3
|
1.0
|
O1A
|
A:DAD201
|
4.7
|
38.4
|
1.0
|
|
Zinc binding site 2 out
of 5 in 3ez5
Go back to
Zinc Binding Sites List in 3ez5
Zinc binding site 2 out
of 5 in the Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form).
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn5
b:32.1
occ:0.20
|
OE2
|
A:GLU831
|
2.1
|
42.7
|
1.0
|
OD1
|
A:ASP830
|
2.2
|
36.9
|
1.0
|
OD2
|
A:ASP653
|
2.6
|
48.6
|
1.0
|
O2A
|
A:DAD201
|
2.8
|
39.0
|
1.0
|
OD1
|
A:ASP653
|
2.9
|
50.1
|
1.0
|
CG
|
A:ASP653
|
3.0
|
44.3
|
1.0
|
CG
|
A:ASP830
|
3.2
|
36.8
|
1.0
|
CD
|
A:GLU831
|
3.2
|
40.0
|
1.0
|
OD2
|
A:ASP830
|
3.4
|
40.6
|
1.0
|
CG
|
A:GLU831
|
3.7
|
36.4
|
1.0
|
ZN
|
A:ZN4
|
3.7
|
29.5
|
0.3
|
C3'
|
B:DG29
|
4.0
|
27.1
|
1.0
|
CB
|
A:GLU831
|
4.1
|
33.3
|
1.0
|
PA
|
A:DAD201
|
4.2
|
38.3
|
1.0
|
OE1
|
A:GLU831
|
4.3
|
38.4
|
1.0
|
CB
|
A:ASP653
|
4.3
|
41.6
|
1.0
|
C5'
|
B:DG29
|
4.3
|
28.1
|
1.0
|
C4'
|
B:DG29
|
4.4
|
28.0
|
1.0
|
O
|
A:ASP830
|
4.4
|
33.3
|
1.0
|
C
|
A:ASP830
|
4.5
|
32.9
|
1.0
|
O2G
|
A:DAD201
|
4.5
|
42.2
|
1.0
|
CB
|
A:ASP830
|
4.5
|
33.2
|
1.0
|
O1A
|
A:DAD201
|
4.6
|
38.4
|
1.0
|
O5'
|
A:DAD201
|
4.6
|
39.4
|
1.0
|
N
|
A:GLU831
|
4.7
|
32.2
|
1.0
|
O
|
A:VAL828
|
4.7
|
30.2
|
1.0
|
OP1
|
B:DG29
|
4.8
|
31.9
|
1.0
|
C5'
|
A:DAD201
|
4.8
|
38.1
|
1.0
|
O5'
|
B:DG29
|
4.9
|
29.2
|
1.0
|
CA
|
A:ASP830
|
4.9
|
32.5
|
1.0
|
CA
|
A:GLU831
|
5.0
|
32.9
|
1.0
|
|
Zinc binding site 3 out
of 5 in 3ez5
Go back to
Zinc Binding Sites List in 3ez5
Zinc binding site 3 out
of 5 in the Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form).
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn1
b:29.6
occ:0.50
|
O2G
|
D:DAD202
|
1.9
|
31.0
|
1.0
|
OD2
|
D:ASP830
|
2.1
|
28.6
|
1.0
|
O2B
|
D:DAD202
|
2.1
|
28.0
|
1.0
|
O2A
|
D:DAD202
|
2.1
|
28.9
|
1.0
|
O
|
D:TYR654
|
2.1
|
24.0
|
1.0
|
OD2
|
D:ASP653
|
2.4
|
29.9
|
0.5
|
PB
|
D:DAD202
|
3.2
|
25.7
|
1.0
|
CG
|
D:ASP830
|
3.2
|
23.7
|
1.0
|
C
|
D:TYR654
|
3.4
|
24.2
|
1.0
|
PG
|
D:DAD202
|
3.4
|
30.4
|
1.0
|
PA
|
D:DAD202
|
3.5
|
24.7
|
1.0
|
CG
|
D:ASP653
|
3.6
|
28.2
|
0.5
|
O3B
|
D:DAD202
|
3.7
|
27.3
|
1.0
|
ZN
|
D:ZN2
|
3.7
|
29.1
|
0.2
|
OD1
|
D:ASP830
|
3.8
|
28.0
|
1.0
|
O3A
|
D:DAD202
|
3.8
|
26.7
|
1.0
|
OD1
|
D:ASP653
|
4.2
|
31.9
|
0.5
|
N
|
D:GLN656
|
4.2
|
24.3
|
1.0
|
C5'
|
D:DAD202
|
4.2
|
23.2
|
1.0
|
N
|
D:SER655
|
4.3
|
23.3
|
1.0
|
N
|
D:TYR654
|
4.3
|
24.4
|
1.0
|
CA
|
D:TYR654
|
4.3
|
23.6
|
1.0
|
CA
|
D:SER655
|
4.3
|
24.6
|
1.0
|
O
|
D:HOH1027
|
4.4
|
41.0
|
1.0
|
CB
|
D:ASP830
|
4.4
|
21.4
|
1.0
|
O5'
|
D:DAD202
|
4.4
|
26.0
|
1.0
|
O3G
|
D:DAD202
|
4.5
|
32.3
|
1.0
|
C
|
D:SER655
|
4.5
|
23.8
|
1.0
|
O1G
|
D:DAD202
|
4.5
|
25.7
|
1.0
|
O1B
|
D:DAD202
|
4.6
|
27.4
|
1.0
|
N
|
D:ILE657
|
4.7
|
21.3
|
1.0
|
CB
|
D:TYR654
|
4.7
|
23.9
|
1.0
|
CB
|
D:ASP653
|
4.7
|
27.0
|
0.5
|
CG2
|
D:ILE657
|
4.7
|
24.3
|
1.0
|
O1A
|
D:DAD202
|
4.7
|
25.2
|
1.0
|
CB
|
D:ASP653
|
4.7
|
27.7
|
0.5
|
O
|
D:ASP830
|
4.8
|
21.1
|
1.0
|
C
|
D:ASP653
|
4.9
|
27.1
|
1.0
|
|
Zinc binding site 4 out
of 5 in 3ez5
Go back to
Zinc Binding Sites List in 3ez5
Zinc binding site 4 out
of 5 in the Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form).
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn2
b:29.1
occ:0.20
|
O
|
D:HOH1027
|
2.0
|
41.0
|
1.0
|
O
|
D:HOH968
|
2.0
|
46.2
|
1.0
|
OD1
|
D:ASP830
|
2.2
|
28.0
|
1.0
|
OD1
|
D:ASP653
|
2.3
|
31.9
|
0.5
|
O2A
|
D:DAD202
|
2.8
|
28.9
|
1.0
|
OD2
|
D:ASP653
|
2.9
|
29.9
|
0.5
|
CG
|
D:ASP653
|
2.9
|
28.2
|
0.5
|
CG
|
D:ASP830
|
3.1
|
23.7
|
1.0
|
OD2
|
D:ASP830
|
3.3
|
28.6
|
1.0
|
ZN
|
D:ZN1
|
3.7
|
29.6
|
0.5
|
C3'
|
E:DG29
|
3.8
|
21.3
|
1.0
|
PA
|
D:DAD202
|
4.1
|
24.7
|
1.0
|
C5'
|
E:DG29
|
4.1
|
20.7
|
1.0
|
CB
|
D:GLU831
|
4.2
|
23.6
|
1.0
|
C4'
|
E:DG29
|
4.2
|
19.0
|
1.0
|
OE1
|
D:GLU831
|
4.3
|
37.6
|
1.0
|
CB
|
D:ASP653
|
4.4
|
27.7
|
0.5
|
CB
|
D:ASP653
|
4.4
|
27.0
|
0.5
|
O5'
|
D:DAD202
|
4.5
|
26.0
|
1.0
|
CB
|
D:ASP830
|
4.5
|
21.4
|
1.0
|
O1A
|
D:DAD202
|
4.5
|
25.2
|
1.0
|
O
|
D:VAL828
|
4.6
|
21.9
|
1.0
|
C
|
D:ASP830
|
4.6
|
22.0
|
1.0
|
O
|
D:ASP830
|
4.6
|
21.1
|
1.0
|
O2G
|
D:DAD202
|
4.6
|
31.0
|
1.0
|
O5'
|
E:DG29
|
4.6
|
22.5
|
1.0
|
C5'
|
D:DAD202
|
4.8
|
23.2
|
1.0
|
CD
|
D:GLU831
|
4.8
|
38.0
|
1.0
|
N
|
D:GLU831
|
4.8
|
21.0
|
1.0
|
OP1
|
E:DG29
|
4.9
|
26.3
|
1.0
|
N
|
D:ASP830
|
4.9
|
20.8
|
1.0
|
CA
|
D:ASP830
|
4.9
|
21.2
|
1.0
|
|
Zinc binding site 5 out
of 5 in 3ez5
Go back to
Zinc Binding Sites List in 3ez5
Zinc binding site 5 out
of 5 in the Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form).
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Cocrystal Structure of Bacillus Fragment Dna Polymerase I with Duplex Dna , Dctp, and Zinc (Closed Form). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn3
b:46.4
occ:0.25
|
NE2
|
D:HIS867
|
2.1
|
43.2
|
1.0
|
OD2
|
D:ASP865
|
2.4
|
45.7
|
1.0
|
OD1
|
D:ASP865
|
2.7
|
44.1
|
1.0
|
CE1
|
D:HIS867
|
2.8
|
41.6
|
1.0
|
CG
|
D:ASP865
|
2.9
|
39.1
|
1.0
|
CD2
|
D:HIS867
|
3.3
|
38.7
|
1.0
|
ND1
|
D:HIS867
|
4.1
|
41.7
|
1.0
|
CG
|
D:HIS867
|
4.3
|
37.2
|
1.0
|
CB
|
D:ASP865
|
4.4
|
34.8
|
1.0
|
OXT
|
D:LYS876
|
4.5
|
47.9
|
1.0
|
|
Reference:
A.A.Golosov,
J.J.Warren,
L.S.Beese,
M.Karplus.
The Mechanism of the Translocation Step in Dna Replication By Dna Polymerase I: A Computer Simulation Analysis. Structure V. 18 83 2010.
ISSN: ISSN 0969-2126
PubMed: 20152155
DOI: 10.1016/J.STR.2009.10.014
Page generated: Thu Oct 24 12:58:52 2024
|