Zinc in PDB 3pn6: Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant
Enzymatic activity of Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant
All present enzymatic activity of Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant:
3.5.1.88;
Protein crystallography data
The structure of Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant, PDB code: 3pn6
was solved by
S.Fieulaine,
T.Meinnel,
C.Giglione,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.56 /
2.10
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
66.280,
66.280,
194.290,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.1 /
21.2
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant
(pdb code 3pn6). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the
Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant, PDB code: 3pn6:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
Zinc binding site 1 out
of 7 in 3pn6
Go back to
Zinc Binding Sites List in 3pn6
Zinc binding site 1 out
of 7 in the Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn201
b:19.4
occ:1.00
|
O
|
A:HOH472
|
1.9
|
20.3
|
1.0
|
NE2
|
A:HIS133
|
2.1
|
19.1
|
1.0
|
NE2
|
A:HIS137
|
2.1
|
18.4
|
1.0
|
SG
|
A:CYS91
|
2.2
|
17.0
|
1.0
|
CD2
|
A:HIS133
|
3.0
|
17.0
|
1.0
|
CE1
|
A:HIS133
|
3.0
|
17.7
|
1.0
|
CD2
|
A:HIS137
|
3.0
|
15.1
|
1.0
|
CE1
|
A:HIS137
|
3.1
|
17.7
|
1.0
|
CB
|
A:CYS91
|
3.2
|
17.8
|
1.0
|
NE2
|
A:GLN48
|
3.5
|
29.6
|
1.0
|
O
|
A:HOH329
|
3.6
|
18.4
|
1.0
|
CA
|
A:CYS91
|
3.7
|
18.9
|
1.0
|
OE1
|
A:GLU134
|
3.8
|
21.4
|
1.0
|
CD
|
A:GLN48
|
3.9
|
32.2
|
1.0
|
OE1
|
A:GLN48
|
4.1
|
38.4
|
1.0
|
ND1
|
A:HIS133
|
4.1
|
18.3
|
1.0
|
CG
|
A:HIS133
|
4.2
|
17.0
|
1.0
|
N
|
A:LEU92
|
4.2
|
18.8
|
1.0
|
ND1
|
A:HIS137
|
4.2
|
16.5
|
1.0
|
CG
|
A:HIS137
|
4.2
|
16.6
|
1.0
|
C
|
A:CYS91
|
4.3
|
18.8
|
1.0
|
O
|
A:HOH403
|
4.5
|
14.6
|
1.0
|
CD
|
A:GLU134
|
4.6
|
20.6
|
1.0
|
O
|
A:HOH374
|
4.7
|
32.5
|
1.0
|
CG
|
A:GLN48
|
4.7
|
26.1
|
1.0
|
N
|
A:SER93
|
4.8
|
21.0
|
1.0
|
OG
|
A:SER93
|
4.8
|
23.4
|
1.0
|
O
|
A:GLY90
|
4.8
|
18.9
|
1.0
|
OE2
|
A:GLU134
|
4.9
|
22.3
|
1.0
|
O
|
A:HOH390
|
5.0
|
33.7
|
1.0
|
N
|
A:CYS91
|
5.0
|
19.4
|
1.0
|
|
Zinc binding site 2 out
of 7 in 3pn6
Go back to
Zinc Binding Sites List in 3pn6
Zinc binding site 2 out
of 7 in the Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn202
b:0.6
occ:1.00
|
OD1
|
A:ASP40
|
2.2
|
33.8
|
1.0
|
OE1
|
A:GLU63
|
2.7
|
45.4
|
1.0
|
CG
|
A:ASP40
|
3.0
|
30.0
|
1.0
|
OD2
|
A:ASP40
|
3.2
|
36.5
|
1.0
|
NZ
|
B:LYS38
|
3.3
|
24.3
|
1.0
|
CD
|
A:GLU63
|
3.9
|
40.9
|
1.0
|
O
|
A:HOH316
|
4.3
|
52.2
|
1.0
|
OE2
|
A:GLU63
|
4.4
|
44.4
|
1.0
|
CE
|
B:LYS38
|
4.4
|
26.3
|
1.0
|
CB
|
A:ASP40
|
4.5
|
23.5
|
1.0
|
O
|
A:GLY62
|
4.6
|
27.5
|
1.0
|
O
|
A:ASP40
|
4.9
|
21.7
|
1.0
|
O
|
B:HOH305
|
4.9
|
30.9
|
1.0
|
CA
|
A:ASP40
|
5.0
|
22.7
|
1.0
|
|
Zinc binding site 3 out
of 7 in 3pn6
Go back to
Zinc Binding Sites List in 3pn6
Zinc binding site 3 out
of 7 in the Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn203
b:50.4
occ:1.00
|
O
|
A:HOH479
|
1.9
|
29.7
|
1.0
|
OE1
|
A:GLU160
|
2.3
|
40.5
|
1.0
|
OE2
|
A:GLU160
|
2.6
|
42.5
|
1.0
|
CD
|
A:GLU160
|
2.8
|
39.1
|
1.0
|
OE1
|
A:GLU179
|
3.0
|
44.8
|
1.0
|
CD
|
A:GLU179
|
3.7
|
46.1
|
1.0
|
CG
|
A:GLU179
|
4.3
|
44.1
|
1.0
|
OE2
|
A:GLU157
|
4.3
|
57.0
|
1.0
|
CG
|
A:GLU160
|
4.3
|
34.5
|
1.0
|
OE2
|
A:GLU179
|
4.4
|
47.1
|
1.0
|
OE1
|
A:GLU157
|
4.6
|
54.8
|
1.0
|
CD
|
A:GLU157
|
4.9
|
53.2
|
1.0
|
|
Zinc binding site 4 out
of 7 in 3pn6
Go back to
Zinc Binding Sites List in 3pn6
Zinc binding site 4 out
of 7 in the Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn204
b:20.7
occ:1.00
|
O
|
A:HOH484
|
1.9
|
19.9
|
1.0
|
OE2
|
B:GLU69
|
2.0
|
16.4
|
1.0
|
OD1
|
A:ASP34
|
2.0
|
18.1
|
1.0
|
OD2
|
A:ASP30
|
2.1
|
23.1
|
1.0
|
CD
|
B:GLU69
|
2.7
|
21.0
|
1.0
|
OE1
|
B:GLU69
|
2.8
|
18.1
|
1.0
|
CG
|
A:ASP30
|
2.8
|
18.1
|
1.0
|
OD1
|
A:ASP30
|
2.9
|
22.3
|
1.0
|
CG
|
A:ASP34
|
3.0
|
16.3
|
1.0
|
OD2
|
A:ASP34
|
3.3
|
15.8
|
1.0
|
ZN
|
A:ZN205
|
3.4
|
24.7
|
1.0
|
O
|
A:HOH332
|
3.8
|
23.5
|
1.0
|
CE2
|
B:TYR37
|
3.9
|
14.0
|
1.0
|
O
|
B:HOH410
|
4.0
|
32.8
|
1.0
|
O
|
A:HOH418
|
4.0
|
36.4
|
1.0
|
O
|
A:ASP30
|
4.0
|
17.5
|
1.0
|
CG
|
B:GLU69
|
4.2
|
19.4
|
1.0
|
CB
|
A:ASP30
|
4.2
|
17.7
|
1.0
|
OH
|
B:TYR37
|
4.4
|
15.9
|
1.0
|
CB
|
A:ASP34
|
4.4
|
13.6
|
1.0
|
CZ
|
B:TYR37
|
4.5
|
15.1
|
1.0
|
C
|
A:ASP30
|
4.5
|
16.4
|
1.0
|
CD2
|
B:TYR37
|
4.7
|
14.7
|
1.0
|
CA
|
A:ASP30
|
4.8
|
16.1
|
1.0
|
CB
|
B:PHE33
|
4.8
|
12.3
|
1.0
|
O
|
B:HOH381
|
4.9
|
30.7
|
1.0
|
O
|
B:HOH487
|
5.0
|
16.5
|
1.0
|
|
Zinc binding site 5 out
of 7 in 3pn6
Go back to
Zinc Binding Sites List in 3pn6
Zinc binding site 5 out
of 7 in the Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn205
b:24.7
occ:1.00
|
OD2
|
A:ASP34
|
2.0
|
15.8
|
1.0
|
OD2
|
B:ASP34
|
2.1
|
12.6
|
1.0
|
O
|
B:HOH487
|
2.1
|
16.5
|
1.0
|
O
|
A:HOH484
|
2.2
|
19.9
|
1.0
|
CG
|
A:ASP34
|
3.1
|
16.3
|
1.0
|
CG
|
B:ASP34
|
3.2
|
15.7
|
1.0
|
ZN
|
B:ZN202
|
3.3
|
16.1
|
1.0
|
ZN
|
A:ZN204
|
3.4
|
20.7
|
1.0
|
O
|
B:HOH410
|
3.4
|
32.8
|
1.0
|
O
|
A:HOH418
|
3.5
|
36.4
|
1.0
|
OD1
|
A:ASP34
|
3.5
|
18.1
|
1.0
|
OD1
|
B:ASP34
|
3.6
|
15.6
|
1.0
|
OD2
|
B:ASP30
|
3.8
|
16.8
|
1.0
|
OD2
|
A:ASP30
|
3.9
|
23.1
|
1.0
|
CB
|
A:PHE33
|
4.4
|
11.9
|
1.0
|
CB
|
A:ASP34
|
4.4
|
13.6
|
1.0
|
CB
|
B:ASP34
|
4.4
|
13.8
|
1.0
|
O
|
A:ASP30
|
4.5
|
17.5
|
1.0
|
N
|
A:ASP34
|
4.5
|
13.1
|
1.0
|
O
|
B:ASP30
|
4.6
|
17.2
|
1.0
|
CA
|
A:ASP34
|
4.6
|
14.0
|
1.0
|
CD2
|
A:TYR37
|
4.6
|
14.8
|
1.0
|
N
|
B:ASP34
|
4.6
|
13.1
|
1.0
|
CA
|
B:ASP34
|
4.6
|
13.8
|
1.0
|
CB
|
B:PHE33
|
4.7
|
12.3
|
1.0
|
CE2
|
A:TYR37
|
4.7
|
15.2
|
1.0
|
CD2
|
B:TYR37
|
4.7
|
14.7
|
1.0
|
CG
|
B:ASP30
|
4.7
|
18.6
|
1.0
|
CE2
|
B:TYR37
|
4.8
|
14.0
|
1.0
|
C
|
A:PHE33
|
4.8
|
13.2
|
1.0
|
CG
|
A:ASP30
|
4.9
|
18.1
|
1.0
|
|
Zinc binding site 6 out
of 7 in 3pn6
Go back to
Zinc Binding Sites List in 3pn6
Zinc binding site 6 out
of 7 in the Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn201
b:15.3
occ:1.00
|
NE2
|
B:HIS137
|
2.1
|
10.9
|
1.0
|
O
|
B:HOH482
|
2.2
|
17.4
|
1.0
|
NE2
|
B:HIS133
|
2.2
|
12.8
|
1.0
|
SG
|
B:CYS91
|
2.2
|
13.7
|
1.0
|
CD2
|
B:HIS133
|
3.0
|
13.8
|
1.0
|
CD2
|
B:HIS137
|
3.1
|
9.3
|
1.0
|
CE1
|
B:HIS137
|
3.1
|
11.3
|
1.0
|
CB
|
B:CYS91
|
3.2
|
14.3
|
1.0
|
CE1
|
B:HIS133
|
3.3
|
14.5
|
1.0
|
NE2
|
B:GLN48
|
3.6
|
10.7
|
1.0
|
O
|
B:HOH302
|
3.6
|
11.3
|
1.0
|
CA
|
B:CYS91
|
3.9
|
14.9
|
1.0
|
OE1
|
B:GLN48
|
3.9
|
12.9
|
1.0
|
CD
|
B:GLN48
|
4.0
|
13.4
|
1.0
|
O
|
B:HOH411
|
4.1
|
19.1
|
1.0
|
OE2
|
B:GLU134
|
4.1
|
15.4
|
1.0
|
ND1
|
B:HIS137
|
4.2
|
10.8
|
1.0
|
CG
|
B:HIS137
|
4.2
|
11.5
|
1.0
|
CG
|
B:HIS133
|
4.2
|
14.5
|
1.0
|
ND1
|
B:HIS133
|
4.3
|
13.4
|
1.0
|
OE1
|
B:GLU134
|
4.4
|
12.7
|
1.0
|
O
|
B:HOH395
|
4.5
|
12.4
|
1.0
|
CD
|
B:GLU134
|
4.6
|
13.8
|
1.0
|
N
|
B:LEU92
|
4.6
|
13.8
|
1.0
|
C
|
B:CYS91
|
4.6
|
14.7
|
1.0
|
O
|
B:GLY90
|
4.7
|
17.0
|
1.0
|
|
Zinc binding site 7 out
of 7 in 3pn6
Go back to
Zinc Binding Sites List in 3pn6
Zinc binding site 7 out
of 7 in the Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Crystal Structure of Arabidopsis Thaliana Petide Deformylase 1B (ATPDF1B) G41M Mutant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn202
b:16.1
occ:1.00
|
O
|
B:HOH487
|
1.8
|
16.5
|
1.0
|
OD1
|
B:ASP34
|
2.0
|
15.6
|
1.0
|
OE2
|
A:GLU69
|
2.0
|
16.9
|
1.0
|
OD2
|
B:ASP30
|
2.1
|
16.8
|
1.0
|
OD1
|
B:ASP30
|
2.5
|
25.6
|
1.0
|
CG
|
B:ASP30
|
2.6
|
18.6
|
1.0
|
CD
|
A:GLU69
|
2.7
|
17.2
|
1.0
|
OE1
|
A:GLU69
|
2.7
|
14.7
|
1.0
|
CG
|
B:ASP34
|
2.9
|
15.7
|
1.0
|
OD2
|
B:ASP34
|
3.2
|
12.6
|
1.0
|
ZN
|
A:ZN205
|
3.3
|
24.7
|
1.0
|
O
|
A:HOH402
|
3.8
|
26.3
|
1.0
|
CE2
|
A:TYR37
|
3.8
|
15.2
|
1.0
|
O
|
B:HOH410
|
4.1
|
32.8
|
1.0
|
CB
|
B:ASP30
|
4.1
|
16.7
|
1.0
|
CG
|
A:GLU69
|
4.2
|
14.6
|
1.0
|
O
|
B:ASP30
|
4.2
|
17.2
|
1.0
|
O
|
A:HOH418
|
4.2
|
36.4
|
1.0
|
CB
|
B:ASP34
|
4.3
|
13.8
|
1.0
|
OH
|
A:TYR37
|
4.3
|
15.0
|
1.0
|
C
|
B:ASP30
|
4.5
|
16.4
|
1.0
|
CZ
|
A:TYR37
|
4.5
|
15.7
|
1.0
|
O
|
B:HOH499
|
4.5
|
39.1
|
1.0
|
CD2
|
A:TYR37
|
4.7
|
14.8
|
1.0
|
CA
|
B:ASP30
|
4.7
|
16.5
|
1.0
|
CB
|
A:PHE33
|
4.8
|
11.9
|
1.0
|
O
|
A:HOH484
|
4.9
|
19.9
|
1.0
|
O
|
A:HOH420
|
5.0
|
34.0
|
1.0
|
CG
|
A:PHE33
|
5.0
|
11.0
|
1.0
|
|
Reference:
S.Fieulaine,
A.Boularot,
I.Artaud,
M.Desmadril,
F.Dardel,
T.Meinnel,
C.Giglione.
Trapping Conformational States Along Ligand-Binding Dynamics of Peptide Deformylase: the Impact of Induced Fit on Enzyme Catalysis. Plos Biol. V. 9 E1001 2011.
ISSN: ISSN 1544-9173
PubMed: 21629676
DOI: 10.1371/JOURNAL.PBIO.1001066
Page generated: Sat Oct 26 11:34:07 2024
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