Zinc in PDB 7cyi: Crystal Structure of Alcohol Dehydrogenase 1 From Artemisia Annua
Protein crystallography data
The structure of Crystal Structure of Alcohol Dehydrogenase 1 From Artemisia Annua, PDB code: 7cyi
was solved by
X.Feng,
S.Fan,
G.Lv,
M.Li,
G.Wu,
Y.Jin,
Z.Yang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.96 /
2.95
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
77.533,
78.49,
102.441,
71.88,
74.02,
59.97
|
R / Rfree (%)
|
23.2 /
27.5
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Alcohol Dehydrogenase 1 From Artemisia Annua
(pdb code 7cyi). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Crystal Structure of Alcohol Dehydrogenase 1 From Artemisia Annua, PDB code: 7cyi:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 7cyi
Go back to
Zinc Binding Sites List in 7cyi
Zinc binding site 1 out
of 8 in the Crystal Structure of Alcohol Dehydrogenase 1 From Artemisia Annua
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 Alcohol Dehydrogenase 1 From Artemisia Annua within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn401
b:44.0
occ:1.00
|
OE1
|
A:GLU70
|
2.1
|
43.2
|
1.0
|
NE2
|
A:HIS69
|
2.2
|
43.2
|
1.0
|
SG
|
A:CYS48
|
2.3
|
45.4
|
1.0
|
SG
|
A:CYS177
|
2.5
|
40.2
|
1.0
|
CE1
|
A:HIS69
|
2.6
|
43.7
|
1.0
|
CD
|
A:GLU70
|
2.8
|
43.0
|
1.0
|
CB
|
A:CYS48
|
3.1
|
43.9
|
1.0
|
CG
|
A:GLU70
|
3.2
|
42.6
|
1.0
|
CB
|
A:CYS177
|
3.5
|
41.1
|
1.0
|
CD2
|
A:HIS69
|
3.5
|
43.3
|
1.0
|
OE2
|
A:GLU70
|
3.7
|
43.1
|
1.0
|
ND1
|
A:HIS69
|
3.8
|
43.9
|
1.0
|
OG1
|
A:THR50
|
4.1
|
45.7
|
1.0
|
CG
|
A:HIS69
|
4.3
|
43.7
|
1.0
|
CA
|
A:CYS48
|
4.3
|
44.1
|
1.0
|
N
|
A:CYS48
|
4.4
|
44.0
|
1.0
|
NZ
|
A:LYS373
|
4.5
|
41.9
|
1.0
|
O
|
A:CYS177
|
4.6
|
42.2
|
1.0
|
C
|
A:CYS177
|
4.6
|
40.0
|
1.0
|
CA
|
A:CYS177
|
4.7
|
40.7
|
1.0
|
CB
|
A:GLU70
|
4.8
|
43.4
|
1.0
|
CB
|
A:THR50
|
4.8
|
45.5
|
1.0
|
C
|
A:LEU47
|
5.0
|
43.8
|
1.0
|
|
Zinc binding site 2 out
of 8 in 7cyi
Go back to
Zinc Binding Sites List in 7cyi
Zinc binding site 2 out
of 8 in the Crystal Structure of Alcohol Dehydrogenase 1 From Artemisia Annua
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 Alcohol Dehydrogenase 1 From Artemisia Annua within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn402
b:47.6
occ:1.00
|
SG
|
A:CYS102
|
2.3
|
46.6
|
1.0
|
SG
|
A:CYS113
|
2.4
|
45.8
|
1.0
|
SG
|
A:CYS105
|
2.5
|
47.0
|
1.0
|
CB
|
A:CYS99
|
2.6
|
47.9
|
1.0
|
CB
|
A:CYS113
|
3.1
|
44.8
|
1.0
|
N
|
A:CYS99
|
3.2
|
46.9
|
1.0
|
CB
|
A:CYS102
|
3.2
|
48.8
|
1.0
|
CA
|
A:CYS99
|
3.4
|
47.3
|
1.0
|
N
|
A:GLY100
|
3.5
|
49.4
|
1.0
|
SG
|
A:CYS99
|
3.5
|
49.5
|
1.0
|
CB
|
A:CYS105
|
3.5
|
47.7
|
1.0
|
CA
|
A:CYS113
|
3.9
|
42.2
|
1.0
|
C
|
A:CYS99
|
3.9
|
48.1
|
1.0
|
N
|
A:CYS102
|
3.9
|
50.7
|
1.0
|
N
|
A:HIS114
|
4.1
|
45.1
|
1.0
|
CA
|
A:CYS102
|
4.1
|
49.3
|
1.0
|
N
|
A:CYS105
|
4.4
|
46.3
|
1.0
|
C
|
A:GLU98
|
4.4
|
46.2
|
1.0
|
C
|
A:CYS113
|
4.5
|
44.2
|
1.0
|
N
|
A:VAL115
|
4.5
|
45.8
|
1.0
|
CA
|
A:CYS105
|
4.6
|
46.8
|
1.0
|
CA
|
A:GLY100
|
4.6
|
49.9
|
1.0
|
N
|
A:GLN101
|
4.7
|
50.7
|
1.0
|
C
|
A:CYS102
|
4.8
|
48.0
|
1.0
|
O
|
A:CYS102
|
4.8
|
47.5
|
1.0
|
CB
|
A:VAL115
|
4.8
|
47.1
|
1.0
|
CA
|
A:GLU98
|
4.9
|
44.9
|
1.0
|
C
|
A:GLY100
|
5.0
|
50.3
|
1.0
|
|
Zinc binding site 3 out
of 8 in 7cyi
Go back to
Zinc Binding Sites List in 7cyi
Zinc binding site 3 out
of 8 in the Crystal Structure of Alcohol Dehydrogenase 1 From Artemisia Annua
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 Alcohol Dehydrogenase 1 From Artemisia Annua within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn401
b:45.8
occ:1.00
|
NE2
|
B:HIS69
|
2.1
|
45.8
|
1.0
|
OE2
|
B:GLU70
|
2.2
|
45.2
|
1.0
|
SG
|
B:CYS48
|
2.3
|
46.0
|
1.0
|
SG
|
B:CYS177
|
2.4
|
44.3
|
1.0
|
CE1
|
B:HIS69
|
2.6
|
45.8
|
1.0
|
CB
|
B:CYS177
|
3.1
|
44.5
|
1.0
|
CD
|
B:GLU70
|
3.1
|
45.8
|
1.0
|
CB
|
B:CYS48
|
3.2
|
45.4
|
1.0
|
CD2
|
B:HIS69
|
3.3
|
46.4
|
1.0
|
CG
|
B:GLU70
|
3.5
|
46.2
|
1.0
|
ND1
|
B:HIS69
|
3.9
|
46.1
|
1.0
|
OG1
|
B:THR50
|
4.1
|
45.5
|
1.0
|
CG
|
B:HIS69
|
4.2
|
46.3
|
1.0
|
OE1
|
B:GLU70
|
4.3
|
45.8
|
1.0
|
N
|
B:GLY178
|
4.4
|
44.4
|
1.0
|
CA
|
B:CYS48
|
4.4
|
45.6
|
1.0
|
N
|
B:CYS48
|
4.5
|
46.1
|
1.0
|
CA
|
B:CYS177
|
4.6
|
44.1
|
1.0
|
CB
|
B:THR50
|
4.6
|
46.3
|
1.0
|
C
|
B:CYS177
|
4.9
|
44.3
|
1.0
|
CB
|
B:GLU70
|
5.0
|
46.7
|
1.0
|
|
Zinc binding site 4 out
of 8 in 7cyi
Go back to
Zinc Binding Sites List in 7cyi
Zinc binding site 4 out
of 8 in the Crystal Structure of Alcohol Dehydrogenase 1 From Artemisia Annua
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 Alcohol Dehydrogenase 1 From Artemisia Annua within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn402
b:49.5
occ:1.00
|
SG
|
B:CYS113
|
2.3
|
49.8
|
1.0
|
SG
|
B:CYS102
|
2.4
|
50.2
|
1.0
|
SG
|
B:CYS99
|
2.5
|
49.5
|
1.0
|
SG
|
B:CYS105
|
2.5
|
49.4
|
1.0
|
CB
|
B:CYS113
|
2.9
|
47.7
|
1.0
|
N
|
B:CYS99
|
3.4
|
49.4
|
1.0
|
CA
|
B:CYS113
|
3.5
|
46.9
|
1.0
|
CB
|
B:CYS99
|
3.5
|
49.8
|
1.0
|
CB
|
B:CYS102
|
3.6
|
49.8
|
1.0
|
N
|
B:GLY100
|
3.7
|
49.2
|
1.0
|
CB
|
B:CYS105
|
3.8
|
48.8
|
1.0
|
CA
|
B:CYS99
|
3.9
|
49.4
|
1.0
|
N
|
B:HIS114
|
3.9
|
48.0
|
1.0
|
C
|
B:CYS113
|
4.1
|
47.8
|
1.0
|
N
|
B:CYS102
|
4.3
|
50.7
|
1.0
|
C
|
B:CYS99
|
4.3
|
49.1
|
1.0
|
C
|
B:GLU98
|
4.4
|
49.1
|
1.0
|
N
|
B:VAL115
|
4.5
|
49.6
|
1.0
|
CA
|
B:CYS102
|
4.5
|
50.2
|
1.0
|
CG2
|
B:VAL115
|
4.5
|
49.3
|
1.0
|
N
|
B:CYS105
|
4.5
|
48.5
|
1.0
|
CA
|
B:GLU98
|
4.6
|
48.8
|
1.0
|
N
|
B:CYS113
|
4.8
|
45.9
|
1.0
|
CA
|
B:GLY100
|
4.8
|
49.3
|
1.0
|
CA
|
B:CYS105
|
4.8
|
48.4
|
1.0
|
CB
|
B:VAL115
|
4.9
|
49.9
|
1.0
|
N
|
B:GLN101
|
4.9
|
50.0
|
1.0
|
O
|
B:CYS102
|
5.0
|
50.0
|
1.0
|
|
Zinc binding site 5 out
of 8 in 7cyi
Go back to
Zinc Binding Sites List in 7cyi
Zinc binding site 5 out
of 8 in the Crystal Structure of Alcohol Dehydrogenase 1 From Artemisia Annua
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 Alcohol Dehydrogenase 1 From Artemisia Annua within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn401
b:41.1
occ:1.00
|
OE1
|
C:GLU70
|
2.1
|
42.6
|
1.0
|
NE2
|
C:HIS69
|
2.2
|
42.3
|
1.0
|
SG
|
C:CYS177
|
2.3
|
42.4
|
1.0
|
CB
|
C:CYS48
|
2.6
|
42.3
|
1.0
|
SG
|
C:CYS48
|
2.8
|
42.4
|
1.0
|
CE1
|
C:HIS69
|
3.0
|
42.3
|
1.0
|
CB
|
C:CYS177
|
3.1
|
42.0
|
1.0
|
CD
|
C:GLU70
|
3.1
|
42.7
|
1.0
|
CD2
|
C:HIS69
|
3.3
|
42.0
|
1.0
|
CG
|
C:GLU70
|
3.6
|
42.6
|
1.0
|
O
|
C:CYS177
|
3.6
|
43.6
|
1.0
|
C
|
C:CYS177
|
4.0
|
43.1
|
1.0
|
CA
|
C:CYS48
|
4.1
|
42.7
|
1.0
|
ND1
|
C:HIS69
|
4.2
|
42.0
|
1.0
|
CA
|
C:CYS177
|
4.2
|
42.2
|
1.0
|
OE2
|
C:GLU70
|
4.2
|
43.0
|
1.0
|
CG
|
C:HIS69
|
4.4
|
41.9
|
1.0
|
OG1
|
C:THR50
|
4.6
|
42.3
|
1.0
|
N
|
C:CYS48
|
4.7
|
43.2
|
1.0
|
N
|
C:GLY178
|
4.8
|
43.2
|
1.0
|
|
Zinc binding site 6 out
of 8 in 7cyi
Go back to
Zinc Binding Sites List in 7cyi
Zinc binding site 6 out
of 8 in the Crystal Structure of Alcohol Dehydrogenase 1 From Artemisia Annua
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 Alcohol Dehydrogenase 1 From Artemisia Annua within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn402
b:42.5
occ:1.00
|
SG
|
C:CYS99
|
2.3
|
41.5
|
1.0
|
SG
|
C:CYS113
|
2.4
|
41.4
|
1.0
|
SG
|
C:CYS102
|
2.5
|
41.2
|
1.0
|
SG
|
C:CYS105
|
2.9
|
40.7
|
1.0
|
CB
|
C:CYS102
|
3.1
|
42.3
|
1.0
|
CB
|
C:CYS113
|
3.4
|
39.7
|
1.0
|
CB
|
C:CYS99
|
3.7
|
40.2
|
1.0
|
CA
|
C:CYS113
|
3.7
|
38.7
|
1.0
|
N
|
C:CYS99
|
3.9
|
40.4
|
1.0
|
N
|
C:GLY100
|
4.0
|
41.2
|
1.0
|
CG2
|
C:VAL115
|
4.0
|
39.2
|
1.0
|
CB
|
C:CYS105
|
4.0
|
42.8
|
1.0
|
N
|
C:CYS102
|
4.0
|
42.8
|
1.0
|
N
|
C:HIS114
|
4.1
|
39.5
|
1.0
|
CA
|
C:CYS102
|
4.2
|
42.8
|
1.0
|
CA
|
C:CYS99
|
4.3
|
40.5
|
1.0
|
C
|
C:CYS113
|
4.4
|
39.3
|
1.0
|
N
|
C:VAL115
|
4.4
|
38.9
|
1.0
|
CB
|
C:VAL115
|
4.6
|
38.9
|
1.0
|
C
|
C:CYS99
|
4.6
|
41.0
|
1.0
|
N
|
C:CYS105
|
4.7
|
42.4
|
1.0
|
N
|
C:GLN101
|
4.7
|
42.3
|
1.0
|
C
|
C:GLU98
|
4.9
|
40.2
|
1.0
|
CA
|
C:CYS105
|
5.0
|
42.6
|
1.0
|
N
|
C:CYS113
|
5.0
|
37.2
|
1.0
|
CA
|
C:GLY100
|
5.0
|
41.5
|
1.0
|
|
Zinc binding site 7 out
of 8 in 7cyi
Go back to
Zinc Binding Sites List in 7cyi
Zinc binding site 7 out
of 8 in the Crystal Structure of Alcohol Dehydrogenase 1 From Artemisia Annua
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 Alcohol Dehydrogenase 1 From Artemisia Annua within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn401
b:42.7
occ:1.00
|
OE2
|
D:GLU70
|
2.2
|
41.6
|
1.0
|
NE2
|
D:HIS69
|
2.2
|
40.7
|
1.0
|
SG
|
D:CYS177
|
2.4
|
41.9
|
1.0
|
SG
|
D:CYS48
|
2.9
|
41.9
|
1.0
|
CE1
|
D:HIS69
|
2.9
|
41.4
|
1.0
|
CB
|
D:CYS48
|
2.9
|
41.9
|
1.0
|
CB
|
D:CYS177
|
3.1
|
41.6
|
1.0
|
CD
|
D:GLU70
|
3.2
|
41.6
|
1.0
|
CG
|
D:GLU70
|
3.4
|
41.6
|
1.0
|
CD2
|
D:HIS69
|
3.4
|
40.8
|
1.0
|
ND1
|
D:HIS69
|
4.0
|
41.3
|
1.0
|
CG
|
D:HIS69
|
4.3
|
41.1
|
1.0
|
OE1
|
D:GLU70
|
4.3
|
42.2
|
1.0
|
CA
|
D:CYS48
|
4.4
|
42.7
|
1.0
|
CA
|
D:CYS177
|
4.5
|
42.2
|
1.0
|
N
|
D:GLY178
|
4.6
|
42.3
|
1.0
|
CB
|
D:THR50
|
4.7
|
41.8
|
1.0
|
O
|
D:LEU47
|
4.8
|
43.1
|
1.0
|
CB
|
D:GLU70
|
4.9
|
42.6
|
1.0
|
C
|
D:CYS177
|
4.9
|
42.0
|
1.0
|
OG1
|
D:THR50
|
4.9
|
41.6
|
1.0
|
|
Zinc binding site 8 out
of 8 in 7cyi
Go back to
Zinc Binding Sites List in 7cyi
Zinc binding site 8 out
of 8 in the Crystal Structure of Alcohol Dehydrogenase 1 From Artemisia Annua
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Crystal Structure of Alcohol Dehydrogenase 1 From Artemisia Annua within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn402
b:39.7
occ:1.00
|
SG
|
D:CYS99
|
2.4
|
37.3
|
1.0
|
SG
|
D:CYS105
|
2.4
|
36.8
|
1.0
|
SG
|
D:CYS102
|
2.4
|
36.1
|
1.0
|
SG
|
D:CYS113
|
2.4
|
38.2
|
1.0
|
CB
|
D:CYS113
|
3.2
|
36.7
|
1.0
|
CB
|
D:CYS105
|
3.3
|
37.1
|
1.0
|
CB
|
D:CYS102
|
3.4
|
37.4
|
1.0
|
N
|
D:CYS99
|
3.5
|
38.7
|
1.0
|
N
|
D:GLY100
|
3.5
|
39.4
|
1.0
|
CB
|
D:CYS99
|
3.6
|
38.2
|
1.0
|
CA
|
D:CYS113
|
3.8
|
35.6
|
1.0
|
N
|
D:CYS102
|
3.8
|
38.7
|
1.0
|
CA
|
D:CYS99
|
3.9
|
38.3
|
1.0
|
N
|
D:HIS114
|
4.1
|
36.2
|
1.0
|
C
|
D:CYS99
|
4.1
|
39.4
|
1.0
|
CA
|
D:CYS102
|
4.2
|
37.8
|
1.0
|
N
|
D:GLN101
|
4.3
|
40.9
|
1.0
|
C
|
D:CYS113
|
4.4
|
36.1
|
1.0
|
N
|
D:CYS105
|
4.4
|
36.2
|
1.0
|
CA
|
D:CYS105
|
4.4
|
36.5
|
1.0
|
C
|
D:GLU98
|
4.4
|
38.0
|
1.0
|
CA
|
D:GLY100
|
4.5
|
39.6
|
1.0
|
N
|
D:VAL115
|
4.6
|
36.9
|
1.0
|
CG2
|
D:VAL115
|
4.6
|
36.6
|
1.0
|
CA
|
D:GLU98
|
4.7
|
38.1
|
1.0
|
C
|
D:GLY100
|
4.7
|
40.6
|
1.0
|
CB
|
D:VAL115
|
4.8
|
37.3
|
1.0
|
C
|
D:GLN101
|
5.0
|
40.2
|
1.0
|
C
|
D:CYS102
|
5.0
|
36.6
|
1.0
|
|
Reference:
Z.Yang,
X.Feng,
S.Fan,
G.Lv,
M.Li,
G.Wu,
Y.Jin,
Z.Yang.
N/A N/A.
Page generated: Tue Oct 29 18:29:27 2024
|