Zinc in PDB 3h0r: Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus
Protein crystallography data
The structure of Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus, PDB code: 3h0r
was solved by
J.Wu,
W.Bu,
K.Sheppard,
M.Kitabatake,
D.Soll,
J.L.Smith,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.97 /
3.00
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
127.377,
130.411,
153.973,
89.89,
90.21,
89.95
|
R / Rfree (%)
|
26.3 /
30.6
|
Other elements in 3h0r:
The structure of Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus
(pdb code 3h0r). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus, PDB code: 3h0r:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 3h0r
Go back to
Zinc Binding Sites List in 3h0r
Zinc binding site 1 out
of 8 in the Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn901
b:57.1
occ:1.00
|
SG
|
B:CYS25
|
2.3
|
46.7
|
1.0
|
SG
|
B:CYS43
|
2.4
|
45.1
|
1.0
|
CB
|
B:CYS40
|
2.6
|
48.5
|
1.0
|
SG
|
B:CYS27
|
2.6
|
50.4
|
1.0
|
CB
|
B:CYS43
|
3.2
|
45.5
|
1.0
|
CB
|
B:CYS27
|
3.3
|
50.3
|
1.0
|
CB
|
B:CYS25
|
3.4
|
46.0
|
1.0
|
SG
|
B:CYS40
|
3.6
|
49.2
|
1.0
|
N
|
B:CYS43
|
3.7
|
46.1
|
1.0
|
CA
|
B:CYS40
|
3.8
|
48.4
|
1.0
|
N
|
B:CYS40
|
3.9
|
49.0
|
1.0
|
C
|
B:VAL39
|
4.0
|
49.2
|
1.0
|
CA
|
B:CYS43
|
4.1
|
45.5
|
1.0
|
CD
|
B:LYS22
|
4.2
|
45.5
|
1.0
|
N
|
B:CYS27
|
4.2
|
49.6
|
1.0
|
CE
|
B:LYS22
|
4.3
|
46.4
|
1.0
|
CA
|
B:CYS27
|
4.4
|
50.4
|
1.0
|
O
|
B:VAL39
|
4.4
|
49.0
|
1.0
|
CA
|
B:VAL39
|
4.5
|
49.5
|
1.0
|
NZ
|
B:LYS22
|
4.6
|
45.9
|
1.0
|
C
|
B:CYS40
|
4.7
|
47.9
|
1.0
|
CB
|
B:VAL42
|
4.7
|
46.4
|
1.0
|
CA
|
B:CYS25
|
4.7
|
46.6
|
1.0
|
C
|
B:CYS25
|
4.8
|
47.1
|
1.0
|
C
|
B:VAL42
|
4.9
|
46.2
|
1.0
|
O
|
B:CYS40
|
4.9
|
48.1
|
1.0
|
|
Zinc binding site 2 out
of 8 in 3h0r
Go back to
Zinc Binding Sites List in 3h0r
Zinc binding site 2 out
of 8 in the Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn902
b:59.9
occ:1.00
|
SG
|
E:CYS27
|
2.3
|
51.5
|
1.0
|
SG
|
E:CYS25
|
2.4
|
48.1
|
1.0
|
SG
|
E:CYS40
|
2.4
|
51.2
|
1.0
|
SG
|
E:CYS43
|
2.6
|
43.8
|
1.0
|
CB
|
E:CYS43
|
3.2
|
45.6
|
1.0
|
CB
|
E:CYS27
|
3.3
|
51.3
|
1.0
|
CB
|
E:CYS40
|
3.3
|
48.8
|
1.0
|
CB
|
E:CYS25
|
3.5
|
47.6
|
1.0
|
N
|
E:CYS40
|
3.6
|
49.4
|
1.0
|
N
|
E:CYS43
|
3.8
|
46.2
|
1.0
|
CA
|
E:CYS40
|
3.9
|
49.0
|
1.0
|
CA
|
E:CYS43
|
4.1
|
45.6
|
1.0
|
CD
|
E:LYS22
|
4.2
|
45.5
|
1.0
|
O
|
E:CYS40
|
4.3
|
48.7
|
1.0
|
C
|
E:VAL39
|
4.3
|
50.1
|
1.0
|
C
|
E:CYS40
|
4.3
|
48.6
|
1.0
|
N
|
E:CYS27
|
4.4
|
50.7
|
1.0
|
CA
|
E:CYS27
|
4.4
|
51.5
|
1.0
|
CA
|
E:VAL39
|
4.5
|
50.5
|
1.0
|
CB
|
E:VAL42
|
4.6
|
46.9
|
1.0
|
NZ
|
E:LYS22
|
4.7
|
45.4
|
1.0
|
CA
|
E:CYS25
|
4.8
|
48.1
|
1.0
|
CE
|
E:LYS22
|
4.8
|
46.5
|
1.0
|
C
|
E:VAL42
|
4.9
|
46.5
|
1.0
|
C
|
E:CYS25
|
4.9
|
48.5
|
1.0
|
N
|
E:VAL42
|
4.9
|
46.7
|
1.0
|
O
|
E:ASN38
|
5.0
|
50.9
|
1.0
|
|
Zinc binding site 3 out
of 8 in 3h0r
Go back to
Zinc Binding Sites List in 3h0r
Zinc binding site 3 out
of 8 in the Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Zn903
b:53.5
occ:1.00
|
SG
|
H:CYS25
|
2.2
|
45.0
|
1.0
|
SG
|
H:CYS27
|
2.3
|
50.0
|
1.0
|
SG
|
H:CYS40
|
2.3
|
45.4
|
1.0
|
SG
|
H:CYS43
|
2.4
|
43.3
|
1.0
|
CB
|
H:CYS25
|
3.2
|
45.3
|
1.0
|
CB
|
H:CYS27
|
3.3
|
49.6
|
1.0
|
CB
|
H:CYS40
|
3.3
|
46.4
|
1.0
|
CB
|
H:CYS43
|
3.5
|
44.8
|
1.0
|
N
|
H:CYS40
|
3.8
|
48.0
|
1.0
|
N
|
H:CYS43
|
4.0
|
45.4
|
1.0
|
CA
|
H:CYS40
|
4.1
|
46.7
|
1.0
|
N
|
H:CYS27
|
4.2
|
49.4
|
1.0
|
CD
|
H:LYS22
|
4.3
|
45.0
|
1.0
|
C
|
H:VAL39
|
4.3
|
48.8
|
1.0
|
CA
|
H:CYS27
|
4.3
|
50.0
|
1.0
|
CA
|
H:CYS43
|
4.4
|
44.9
|
1.0
|
O
|
H:CYS40
|
4.5
|
45.4
|
1.0
|
C
|
H:CYS40
|
4.5
|
46.1
|
1.0
|
CA
|
H:CYS25
|
4.5
|
45.5
|
1.0
|
CA
|
H:VAL39
|
4.6
|
49.2
|
1.0
|
CE
|
H:LYS22
|
4.6
|
45.1
|
1.0
|
C
|
H:CYS25
|
4.7
|
46.2
|
1.0
|
N
|
H:GLY26
|
4.8
|
46.9
|
1.0
|
CB
|
H:VAL42
|
4.8
|
46.1
|
1.0
|
NZ
|
H:LYS22
|
4.9
|
44.3
|
1.0
|
O
|
H:VAL39
|
4.9
|
49.6
|
1.0
|
|
Zinc binding site 4 out
of 8 in 3h0r
Go back to
Zinc Binding Sites List in 3h0r
Zinc binding site 4 out
of 8 in the Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Zn904
b:50.8
occ:1.00
|
SG
|
K:CYS43
|
2.2
|
43.7
|
1.0
|
SG
|
K:CYS25
|
2.3
|
43.9
|
1.0
|
SG
|
K:CYS27
|
2.3
|
47.7
|
1.0
|
SG
|
K:CYS40
|
2.4
|
43.5
|
1.0
|
CB
|
K:CYS43
|
3.3
|
44.8
|
1.0
|
CB
|
K:CYS27
|
3.3
|
49.7
|
1.0
|
CB
|
K:CYS40
|
3.4
|
45.9
|
1.0
|
CB
|
K:CYS25
|
3.4
|
45.1
|
1.0
|
N
|
K:CYS40
|
3.5
|
47.6
|
1.0
|
N
|
K:CYS43
|
3.8
|
45.0
|
1.0
|
CA
|
K:CYS40
|
3.9
|
46.1
|
1.0
|
CD
|
K:LYS22
|
4.1
|
42.4
|
1.0
|
C
|
K:VAL39
|
4.1
|
48.5
|
1.0
|
CA
|
K:CYS43
|
4.1
|
44.6
|
1.0
|
N
|
K:CYS27
|
4.2
|
49.3
|
1.0
|
O
|
K:CYS40
|
4.3
|
46.0
|
1.0
|
C
|
K:CYS40
|
4.4
|
46.1
|
1.0
|
CA
|
K:CYS27
|
4.4
|
49.6
|
1.0
|
CA
|
K:VAL39
|
4.4
|
48.6
|
1.0
|
NZ
|
K:LYS22
|
4.6
|
41.9
|
1.0
|
CE
|
K:LYS22
|
4.7
|
43.5
|
1.0
|
CB
|
K:VAL42
|
4.8
|
45.5
|
1.0
|
CA
|
K:CYS25
|
4.8
|
45.5
|
1.0
|
O
|
K:VAL39
|
4.9
|
48.6
|
1.0
|
N
|
K:GLY26
|
4.9
|
46.9
|
1.0
|
O
|
K:ASN38
|
4.9
|
50.6
|
1.0
|
C
|
K:VAL42
|
4.9
|
45.4
|
1.0
|
C
|
K:CYS25
|
5.0
|
46.2
|
1.0
|
|
Zinc binding site 5 out
of 8 in 3h0r
Go back to
Zinc Binding Sites List in 3h0r
Zinc binding site 5 out
of 8 in the Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
N:Zn905
b:53.0
occ:1.00
|
SG
|
N:CYS25
|
2.2
|
45.0
|
1.0
|
SG
|
N:CYS27
|
2.3
|
48.4
|
1.0
|
SG
|
N:CYS43
|
2.3
|
42.8
|
1.0
|
SG
|
N:CYS40
|
2.4
|
46.4
|
1.0
|
CB
|
N:CYS27
|
3.2
|
49.9
|
1.0
|
CB
|
N:CYS25
|
3.3
|
45.1
|
1.0
|
CB
|
N:CYS40
|
3.4
|
47.0
|
1.0
|
CB
|
N:CYS43
|
3.5
|
44.5
|
1.0
|
N
|
N:CYS40
|
3.7
|
48.2
|
1.0
|
N
|
N:CYS43
|
3.9
|
44.9
|
1.0
|
CA
|
N:CYS40
|
4.1
|
47.0
|
1.0
|
N
|
N:CYS27
|
4.1
|
49.8
|
1.0
|
CD
|
N:LYS22
|
4.2
|
44.0
|
1.0
|
C
|
N:VAL39
|
4.3
|
49.0
|
1.0
|
CA
|
N:CYS43
|
4.3
|
44.5
|
1.0
|
CA
|
N:CYS27
|
4.3
|
50.1
|
1.0
|
O
|
N:CYS40
|
4.6
|
46.1
|
1.0
|
CA
|
N:CYS25
|
4.6
|
45.9
|
1.0
|
CA
|
N:VAL39
|
4.6
|
49.3
|
1.0
|
C
|
N:CYS40
|
4.6
|
46.6
|
1.0
|
CE
|
N:LYS22
|
4.6
|
45.4
|
1.0
|
NZ
|
N:LYS22
|
4.7
|
42.0
|
1.0
|
C
|
N:CYS25
|
4.8
|
46.2
|
1.0
|
CB
|
N:VAL42
|
4.8
|
46.0
|
1.0
|
O
|
N:ASN38
|
4.8
|
49.5
|
1.0
|
N
|
N:GLY26
|
4.9
|
47.4
|
1.0
|
O
|
N:VAL39
|
5.0
|
49.6
|
1.0
|
|
Zinc binding site 6 out
of 8 in 3h0r
Go back to
Zinc Binding Sites List in 3h0r
Zinc binding site 6 out
of 8 in the Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:Zn906
b:51.6
occ:1.00
|
SG
|
Q:CYS25
|
2.2
|
43.8
|
1.0
|
SG
|
Q:CYS43
|
2.3
|
43.0
|
1.0
|
SG
|
Q:CYS27
|
2.4
|
47.4
|
1.0
|
SG
|
Q:CYS40
|
2.4
|
45.4
|
1.0
|
CB
|
Q:CYS25
|
3.3
|
46.2
|
1.0
|
CB
|
Q:CYS43
|
3.3
|
44.9
|
1.0
|
CB
|
Q:CYS40
|
3.4
|
46.2
|
1.0
|
CB
|
Q:CYS27
|
3.4
|
49.4
|
1.0
|
N
|
Q:CYS40
|
3.7
|
47.3
|
1.0
|
N
|
Q:CYS43
|
3.8
|
44.8
|
1.0
|
CA
|
Q:CYS40
|
4.0
|
46.5
|
1.0
|
N
|
Q:CYS27
|
4.1
|
48.9
|
1.0
|
CA
|
Q:CYS43
|
4.2
|
44.9
|
1.0
|
CD
|
Q:LYS22
|
4.2
|
44.0
|
1.0
|
C
|
Q:VAL39
|
4.4
|
47.9
|
1.0
|
O
|
Q:CYS40
|
4.4
|
46.4
|
1.0
|
CA
|
Q:CYS27
|
4.4
|
49.1
|
1.0
|
C
|
Q:CYS40
|
4.4
|
46.2
|
1.0
|
CA
|
Q:CYS25
|
4.6
|
46.1
|
1.0
|
CB
|
Q:VAL42
|
4.6
|
45.7
|
1.0
|
N
|
Q:GLY26
|
4.7
|
47.5
|
1.0
|
NZ
|
Q:LYS22
|
4.7
|
41.5
|
1.0
|
CE
|
Q:LYS22
|
4.7
|
43.5
|
1.0
|
CA
|
Q:VAL39
|
4.8
|
48.2
|
1.0
|
C
|
Q:CYS25
|
4.8
|
46.8
|
1.0
|
C
|
Q:VAL42
|
5.0
|
45.5
|
1.0
|
|
Zinc binding site 7 out
of 8 in 3h0r
Go back to
Zinc Binding Sites List in 3h0r
Zinc binding site 7 out
of 8 in the Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
T:Zn907
b:55.3
occ:1.00
|
SG
|
T:CYS43
|
2.2
|
46.6
|
1.0
|
SG
|
T:CYS27
|
2.3
|
51.6
|
1.0
|
SG
|
T:CYS25
|
2.4
|
47.8
|
1.0
|
SG
|
T:CYS40
|
2.5
|
49.8
|
1.0
|
CB
|
T:CYS27
|
3.1
|
50.9
|
1.0
|
CB
|
T:CYS43
|
3.2
|
46.3
|
1.0
|
N
|
T:CYS40
|
3.3
|
49.5
|
1.0
|
CB
|
T:CYS40
|
3.4
|
48.4
|
1.0
|
CB
|
T:CYS25
|
3.6
|
47.2
|
1.0
|
N
|
T:CYS43
|
3.8
|
46.4
|
1.0
|
CA
|
T:CYS40
|
3.8
|
48.7
|
1.0
|
C
|
T:VAL39
|
3.9
|
49.9
|
1.0
|
CD
|
T:LYS22
|
3.9
|
46.2
|
1.0
|
CA
|
T:CYS43
|
4.1
|
46.4
|
1.0
|
CA
|
T:VAL39
|
4.1
|
50.4
|
1.0
|
O
|
T:CYS40
|
4.2
|
48.2
|
1.0
|
C
|
T:CYS40
|
4.3
|
48.2
|
1.0
|
CA
|
T:CYS27
|
4.4
|
51.2
|
1.0
|
NZ
|
T:LYS22
|
4.4
|
46.1
|
1.0
|
N
|
T:CYS27
|
4.4
|
50.8
|
1.0
|
CE
|
T:LYS22
|
4.6
|
46.8
|
1.0
|
O
|
T:ASN38
|
4.8
|
51.3
|
1.0
|
O
|
T:VAL39
|
4.8
|
50.1
|
1.0
|
N
|
T:VAL39
|
4.8
|
51.0
|
1.0
|
CA
|
T:CYS25
|
4.9
|
47.6
|
1.0
|
C
|
T:VAL42
|
5.0
|
46.7
|
1.0
|
|
Zinc binding site 8 out
of 8 in 3h0r
Go back to
Zinc Binding Sites List in 3h0r
Zinc binding site 8 out
of 8 in the Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Structure of Trna-Dependent Amidotransferase Gatcab From Aquifex Aeolicus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
W:Zn908
b:55.5
occ:1.00
|
SG
|
W:CYS25
|
2.2
|
47.0
|
1.0
|
SG
|
W:CYS27
|
2.3
|
49.7
|
1.0
|
SG
|
W:CYS43
|
2.4
|
45.2
|
1.0
|
SG
|
W:CYS40
|
2.4
|
46.9
|
1.0
|
CB
|
W:CYS25
|
3.2
|
46.5
|
1.0
|
CB
|
W:CYS27
|
3.2
|
50.5
|
1.0
|
CB
|
W:CYS43
|
3.3
|
45.0
|
1.0
|
CB
|
W:CYS40
|
3.4
|
48.2
|
1.0
|
N
|
W:CYS40
|
3.7
|
49.0
|
1.0
|
N
|
W:CYS43
|
3.8
|
45.1
|
1.0
|
CA
|
W:CYS40
|
4.0
|
47.8
|
1.0
|
N
|
W:CYS27
|
4.0
|
49.9
|
1.0
|
CA
|
W:CYS43
|
4.2
|
45.3
|
1.0
|
CA
|
W:CYS27
|
4.2
|
50.6
|
1.0
|
C
|
W:VAL39
|
4.2
|
49.5
|
1.0
|
O
|
W:CYS40
|
4.3
|
47.8
|
1.0
|
CD
|
W:LYS22
|
4.4
|
45.5
|
1.0
|
C
|
W:CYS40
|
4.4
|
47.6
|
1.0
|
CA
|
W:CYS25
|
4.5
|
46.9
|
1.0
|
CA
|
W:VAL39
|
4.6
|
50.0
|
1.0
|
C
|
W:CYS25
|
4.6
|
47.4
|
1.0
|
NZ
|
W:LYS22
|
4.7
|
44.5
|
1.0
|
N
|
W:GLY26
|
4.7
|
48.2
|
1.0
|
CB
|
W:VAL42
|
4.8
|
45.9
|
1.0
|
CE
|
W:LYS22
|
4.9
|
47.1
|
1.0
|
N
|
W:VAL42
|
4.9
|
46.2
|
1.0
|
C
|
W:VAL42
|
4.9
|
45.8
|
1.0
|
O
|
W:VAL39
|
4.9
|
49.4
|
1.0
|
|
Reference:
J.Wu,
W.Bu,
K.Sheppard,
M.Kitabatake,
S.T.Kwon,
D.Soll,
J.L.Smith.
Insights Into Trna-Dependent Amidotransferase Evolution and Catalysis From the Structure of the Aquifex Aeolicus Enzyme J.Mol.Biol. V. 391 703 2009.
ISSN: ISSN 0022-2836
PubMed: 19520089
DOI: 10.1016/J.JMB.2009.06.014
Page generated: Thu Oct 24 14:10:28 2024
|