Zinc in PDB 5vlb: Crystal Structure of Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole
Enzymatic activity of Crystal Structure of Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole
All present enzymatic activity of Crystal Structure of Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole:
1.1.1.23;
Protein crystallography data
The structure of Crystal Structure of Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole, PDB code: 5vlb
was solved by
M.Ruszkowski,
Z.Dauter,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.52 /
2.25
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
105.752,
142.814,
105.357,
90.00,
120.16,
90.00
|
R / Rfree (%)
|
18.1 /
23.4
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole
(pdb code 5vlb). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the
Crystal Structure of Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole, PDB code: 5vlb:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
Zinc binding site 1 out
of 6 in 5vlb
Go back to
Zinc Binding Sites List in 5vlb
Zinc binding site 1 out
of 6 in the Crystal Structure of Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole
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 Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn501
b:31.9
occ:1.00
|
OD2
|
A:ASP401
|
2.1
|
29.1
|
1.0
|
N1
|
A:IMD502
|
2.1
|
31.9
|
1.0
|
NE2
|
B:HIS460
|
2.1
|
29.7
|
1.0
|
NE2
|
A:HIS302
|
2.1
|
31.6
|
1.0
|
O
|
A:HOH636
|
2.2
|
26.9
|
1.0
|
O
|
A:HOH618
|
2.2
|
28.4
|
1.0
|
CG
|
A:ASP401
|
2.9
|
28.7
|
1.0
|
C2
|
A:IMD502
|
2.9
|
31.5
|
1.0
|
CE1
|
A:HIS302
|
2.9
|
32.6
|
1.0
|
CE1
|
B:HIS460
|
3.0
|
28.8
|
1.0
|
CD2
|
B:HIS460
|
3.1
|
29.1
|
1.0
|
C5
|
A:IMD502
|
3.1
|
32.6
|
1.0
|
CD2
|
A:HIS302
|
3.2
|
31.8
|
1.0
|
OD1
|
A:ASP401
|
3.5
|
27.2
|
1.0
|
O
|
A:HOH620
|
3.6
|
34.3
|
1.0
|
CB
|
A:ASP401
|
4.0
|
27.4
|
1.0
|
N3
|
A:IMD502
|
4.1
|
31.6
|
1.0
|
ND1
|
A:HIS302
|
4.1
|
32.4
|
1.0
|
O
|
A:HOH712
|
4.2
|
44.1
|
1.0
|
ND1
|
B:HIS460
|
4.2
|
28.9
|
1.0
|
OE2
|
A:GLU397
|
4.2
|
39.4
|
1.0
|
C4
|
A:IMD502
|
4.2
|
32.0
|
1.0
|
CG
|
B:HIS460
|
4.2
|
29.1
|
1.0
|
CG
|
A:HIS302
|
4.3
|
32.1
|
1.0
|
O
|
A:SER298
|
4.8
|
37.6
|
1.0
|
CD
|
A:GLU397
|
4.8
|
35.8
|
1.0
|
|
Zinc binding site 2 out
of 6 in 5vlb
Go back to
Zinc Binding Sites List in 5vlb
Zinc binding site 2 out
of 6 in the Crystal Structure of Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole
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 Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn504
b:32.2
occ:1.00
|
OD2
|
B:ASP401
|
2.0
|
30.5
|
1.0
|
NE2
|
B:HIS302
|
2.1
|
29.3
|
1.0
|
N1
|
A:IMD505
|
2.1
|
31.9
|
1.0
|
NE2
|
A:HIS460
|
2.1
|
29.8
|
1.0
|
O
|
B:HOH642
|
2.2
|
30.4
|
1.0
|
O
|
B:HOH656
|
2.2
|
26.0
|
1.0
|
CE1
|
B:HIS302
|
2.9
|
28.9
|
1.0
|
C2
|
A:IMD505
|
2.9
|
30.2
|
1.0
|
CG
|
B:ASP401
|
2.9
|
30.0
|
1.0
|
CE1
|
A:HIS460
|
3.0
|
29.5
|
1.0
|
CD2
|
A:HIS460
|
3.1
|
29.2
|
1.0
|
CD2
|
B:HIS302
|
3.2
|
28.8
|
1.0
|
C5
|
A:IMD505
|
3.3
|
30.9
|
1.0
|
OD1
|
B:ASP401
|
3.5
|
30.7
|
1.0
|
CB
|
B:ASP401
|
4.0
|
28.3
|
1.0
|
ND1
|
B:HIS302
|
4.0
|
29.4
|
1.0
|
N3
|
A:IMD505
|
4.1
|
28.8
|
1.0
|
ND1
|
A:HIS460
|
4.2
|
31.0
|
1.0
|
CG
|
A:HIS460
|
4.2
|
30.3
|
1.0
|
CG
|
B:HIS302
|
4.3
|
28.8
|
1.0
|
C4
|
A:IMD505
|
4.3
|
29.9
|
1.0
|
OE2
|
B:GLU397
|
4.3
|
34.8
|
1.0
|
O
|
B:SER298
|
4.7
|
33.1
|
1.0
|
CD
|
B:GLU397
|
4.9
|
32.4
|
1.0
|
|
Zinc binding site 3 out
of 6 in 5vlb
Go back to
Zinc Binding Sites List in 5vlb
Zinc binding site 3 out
of 6 in the Crystal Structure of Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole
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 Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn501
b:46.7
occ:1.00
|
OD2
|
C:ASP401
|
2.0
|
45.2
|
1.0
|
N1
|
C:IMD502
|
2.1
|
43.2
|
1.0
|
NE2
|
D:HIS460
|
2.1
|
50.7
|
1.0
|
NE2
|
C:HIS302
|
2.1
|
45.7
|
1.0
|
O
|
D:HOH621
|
2.2
|
40.5
|
1.0
|
CG
|
C:ASP401
|
2.8
|
42.4
|
1.0
|
C2
|
C:IMD502
|
2.9
|
43.8
|
1.0
|
CE1
|
C:HIS302
|
3.0
|
46.5
|
1.0
|
CE1
|
D:HIS460
|
3.0
|
50.0
|
1.0
|
CD2
|
D:HIS460
|
3.1
|
51.0
|
1.0
|
C5
|
C:IMD502
|
3.2
|
42.9
|
1.0
|
CD2
|
C:HIS302
|
3.2
|
45.6
|
1.0
|
OD1
|
C:ASP401
|
3.3
|
43.5
|
1.0
|
CB
|
C:ASP401
|
3.9
|
39.8
|
1.0
|
N3
|
C:IMD502
|
4.1
|
43.2
|
1.0
|
ND1
|
C:HIS302
|
4.1
|
45.9
|
1.0
|
ND1
|
D:HIS460
|
4.2
|
51.0
|
1.0
|
OE2
|
C:GLU397
|
4.2
|
45.8
|
1.0
|
C4
|
C:IMD502
|
4.2
|
42.9
|
1.0
|
CG
|
D:HIS460
|
4.2
|
51.5
|
1.0
|
CG
|
C:HIS302
|
4.3
|
45.8
|
1.0
|
O
|
C:SER298
|
4.7
|
48.3
|
1.0
|
CD
|
C:GLU397
|
4.8
|
44.4
|
1.0
|
CG
|
C:GLU397
|
5.0
|
42.3
|
1.0
|
|
Zinc binding site 4 out
of 6 in 5vlb
Go back to
Zinc Binding Sites List in 5vlb
Zinc binding site 4 out
of 6 in the Crystal Structure of Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole
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 Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn504
b:49.8
occ:1.00
|
OD2
|
D:ASP401
|
2.0
|
42.9
|
1.0
|
NE2
|
D:HIS302
|
2.1
|
48.1
|
1.0
|
N1
|
C:IMD505
|
2.1
|
48.6
|
1.0
|
NE2
|
C:HIS460
|
2.1
|
47.8
|
1.0
|
O
|
C:HOH640
|
2.2
|
38.0
|
1.0
|
C2
|
C:IMD505
|
2.8
|
46.3
|
1.0
|
CE1
|
D:HIS302
|
3.0
|
47.6
|
1.0
|
CG
|
D:ASP401
|
3.0
|
42.7
|
1.0
|
CE1
|
C:HIS460
|
3.0
|
47.4
|
1.0
|
CD2
|
C:HIS460
|
3.1
|
48.2
|
1.0
|
CD2
|
D:HIS302
|
3.1
|
47.7
|
1.0
|
C5
|
C:IMD505
|
3.2
|
47.6
|
1.0
|
OD1
|
D:ASP401
|
3.6
|
43.4
|
1.0
|
N3
|
C:IMD505
|
4.0
|
47.1
|
1.0
|
CB
|
D:ASP401
|
4.1
|
42.1
|
1.0
|
ND1
|
D:HIS302
|
4.1
|
47.8
|
1.0
|
ND1
|
C:HIS460
|
4.2
|
51.0
|
1.0
|
C4
|
C:IMD505
|
4.2
|
46.8
|
1.0
|
CG
|
D:HIS302
|
4.2
|
47.8
|
1.0
|
CG
|
C:HIS460
|
4.2
|
49.2
|
1.0
|
OE2
|
D:GLU397
|
4.4
|
54.5
|
1.0
|
O
|
D:SER298
|
4.8
|
46.5
|
1.0
|
CD
|
D:GLU397
|
4.9
|
52.2
|
1.0
|
|
Zinc binding site 5 out
of 6 in 5vlb
Go back to
Zinc Binding Sites List in 5vlb
Zinc binding site 5 out
of 6 in the Crystal Structure of Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole
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 Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn501
b:38.0
occ:1.00
|
OD2
|
E:ASP401
|
2.0
|
33.9
|
1.0
|
NE2
|
F:HIS460
|
2.1
|
34.2
|
1.0
|
NE2
|
E:HIS302
|
2.1
|
37.2
|
1.0
|
N1
|
E:IMD502
|
2.1
|
36.5
|
1.0
|
O
|
E:HOH615
|
2.2
|
35.5
|
1.0
|
O
|
E:HOH625
|
2.2
|
31.2
|
1.0
|
CE1
|
E:HIS302
|
2.9
|
37.7
|
1.0
|
C2
|
E:IMD502
|
3.0
|
36.2
|
1.0
|
CG
|
E:ASP401
|
3.0
|
32.4
|
1.0
|
CE1
|
F:HIS460
|
3.1
|
34.2
|
1.0
|
CD2
|
F:HIS460
|
3.1
|
34.5
|
1.0
|
C5
|
E:IMD502
|
3.2
|
36.3
|
1.0
|
CD2
|
E:HIS302
|
3.2
|
37.9
|
1.0
|
OD1
|
E:ASP401
|
3.6
|
33.0
|
1.0
|
CB
|
E:ASP401
|
4.0
|
32.2
|
1.0
|
ND1
|
E:HIS302
|
4.1
|
37.9
|
1.0
|
OE2
|
E:GLU397
|
4.1
|
46.3
|
1.0
|
N3
|
E:IMD502
|
4.2
|
35.6
|
1.0
|
ND1
|
F:HIS460
|
4.2
|
35.2
|
1.0
|
CG
|
F:HIS460
|
4.2
|
35.0
|
1.0
|
C4
|
E:IMD502
|
4.3
|
36.6
|
1.0
|
CG
|
E:HIS302
|
4.3
|
38.6
|
1.0
|
O
|
E:SER298
|
4.7
|
40.4
|
1.0
|
CD
|
E:GLU397
|
4.8
|
41.2
|
1.0
|
|
Zinc binding site 6 out
of 6 in 5vlb
Go back to
Zinc Binding Sites List in 5vlb
Zinc binding site 6 out
of 6 in the Crystal Structure of Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole
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 Medicago Truncatula L-Histidinol Dehydrogenase in Complex with Imidazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn504
b:36.9
occ:1.00
|
OD2
|
F:ASP401
|
2.0
|
33.7
|
1.0
|
N1
|
E:IMD505
|
2.1
|
34.9
|
1.0
|
NE2
|
E:HIS460
|
2.1
|
33.4
|
1.0
|
NE2
|
F:HIS302
|
2.1
|
34.5
|
1.0
|
O
|
F:HOH639
|
2.2
|
36.3
|
1.0
|
O
|
F:HOH631
|
2.2
|
33.9
|
1.0
|
CE1
|
F:HIS302
|
2.9
|
35.0
|
1.0
|
C2
|
E:IMD505
|
3.0
|
34.7
|
1.0
|
CG
|
F:ASP401
|
3.0
|
31.8
|
1.0
|
CE1
|
E:HIS460
|
3.0
|
33.0
|
1.0
|
CD2
|
E:HIS460
|
3.1
|
32.4
|
1.0
|
C5
|
E:IMD505
|
3.2
|
35.5
|
1.0
|
CD2
|
F:HIS302
|
3.2
|
35.1
|
1.0
|
OD1
|
F:ASP401
|
3.5
|
35.5
|
1.0
|
CB
|
F:ASP401
|
4.1
|
30.9
|
1.0
|
ND1
|
F:HIS302
|
4.1
|
36.1
|
1.0
|
N3
|
E:IMD505
|
4.1
|
35.2
|
1.0
|
ND1
|
E:HIS460
|
4.2
|
33.7
|
1.0
|
OE2
|
F:GLU397
|
4.2
|
37.9
|
1.0
|
CG
|
E:HIS460
|
4.2
|
32.9
|
1.0
|
C4
|
E:IMD505
|
4.3
|
36.0
|
1.0
|
CG
|
F:HIS302
|
4.3
|
37.5
|
1.0
|
CD
|
F:GLU397
|
4.8
|
36.8
|
1.0
|
O
|
F:SER298
|
5.0
|
36.2
|
1.0
|
|
Reference:
M.Ruszkowski,
Z.Dauter.
Structures of Medicago Truncatula L-Histidinol Dehydrogenase Show Rearrangements Required For Nad(+) Binding and the Cofactor Positioned to Accept A Hydride. Sci Rep V. 7 10476 2017.
ISSN: ESSN 2045-2322
PubMed: 28874718
DOI: 10.1038/S41598-017-10859-0
Page generated: Mon Oct 28 13:04:03 2024
|