Potassium in PDB 2iby: Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function
Enzymatic activity of Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function
All present enzymatic activity of Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function:
2.3.1.9;
Protein crystallography data
The structure of Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function, PDB code: 2iby
was solved by
A.M.Haapalainen,
R.K.Wierenga,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
73.32 /
1.85
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
75.349,
106.746,
101.660,
90.00,
103.06,
90.00
|
R / Rfree (%)
|
16.4 /
20.3
|
Other elements in 2iby:
The structure of Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function also contains other interesting chemical elements:
Potassium Binding Sites:
The binding sites of Potassium atom in the Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function
(pdb code 2iby). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the
Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function, PDB code: 2iby:
Jump to Potassium binding site number:
1;
2;
3;
4;
Potassium binding site 1 out
of 4 in 2iby
Go back to
Potassium Binding Sites List in 2iby
Potassium binding site 1 out
of 4 in the Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function
 Mono view
 Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K3001
b:13.0
occ:1.00
|
O
|
A:ALA283
|
2.7
|
9.9
|
1.0
|
O
|
A:ALA281
|
2.7
|
11.6
|
1.0
|
OH
|
A:TYR219
|
2.7
|
13.4
|
1.0
|
O
|
A:VAL381
|
2.8
|
11.9
|
1.0
|
O
|
A:HOH6143
|
2.8
|
18.5
|
1.0
|
O
|
A:ALA280
|
3.0
|
14.3
|
1.0
|
C
|
A:ALA281
|
3.4
|
12.4
|
1.0
|
CA
|
A:ALA281
|
3.8
|
13.8
|
1.0
|
CG2
|
A:THR285
|
3.8
|
14.9
|
1.0
|
CZ
|
A:TYR219
|
3.8
|
13.2
|
1.0
|
C
|
A:VAL381
|
3.9
|
13.1
|
1.0
|
C
|
A:ALA283
|
3.9
|
11.7
|
1.0
|
CG1
|
A:VAL381
|
4.0
|
12.9
|
1.0
|
C
|
A:ALA280
|
4.1
|
16.8
|
1.0
|
CE2
|
A:TYR219
|
4.1
|
12.9
|
1.0
|
O
|
A:HOH6048
|
4.3
|
15.8
|
1.0
|
O
|
A:HOH6080
|
4.3
|
15.8
|
1.0
|
N
|
A:ASN282
|
4.4
|
8.9
|
1.0
|
N
|
A:ALA281
|
4.4
|
13.3
|
1.0
|
CA
|
A:VAL381
|
4.4
|
12.8
|
1.0
|
N6A
|
A:COA6001
|
4.4
|
29.9
|
1.0
|
N
|
A:ALA283
|
4.5
|
11.3
|
1.0
|
C
|
A:SER284
|
4.7
|
11.9
|
1.0
|
CA
|
A:SER284
|
4.8
|
10.1
|
1.0
|
CB
|
A:VAL381
|
4.8
|
11.8
|
1.0
|
N
|
A:SER284
|
4.8
|
12.1
|
1.0
|
CA
|
A:ALA283
|
4.9
|
11.7
|
1.0
|
N
|
A:THR285
|
4.9
|
11.7
|
1.0
|
C
|
A:ASN282
|
4.9
|
10.7
|
1.0
|
CA
|
A:ASN282
|
4.9
|
10.0
|
1.0
|
N
|
A:SER382
|
5.0
|
12.5
|
1.0
|
|
Potassium binding site 2 out
of 4 in 2iby
Go back to
Potassium Binding Sites List in 2iby
Potassium binding site 2 out
of 4 in the Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function
 Mono view
 Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K3002
b:15.1
occ:1.00
|
O
|
B:ALA283
|
2.7
|
14.3
|
1.0
|
O
|
B:VAL381
|
2.7
|
11.9
|
1.0
|
O
|
B:ALA281
|
2.8
|
13.3
|
1.0
|
OH
|
B:TYR219
|
2.8
|
13.6
|
1.0
|
O
|
B:HOH6051
|
2.8
|
15.9
|
1.0
|
O
|
B:ALA280
|
3.0
|
13.8
|
1.0
|
C
|
B:ALA281
|
3.4
|
12.1
|
1.0
|
CG2
|
B:THR285
|
3.7
|
17.0
|
1.0
|
CA
|
B:ALA281
|
3.8
|
14.3
|
1.0
|
CZ
|
B:TYR219
|
3.9
|
14.1
|
1.0
|
C
|
B:VAL381
|
3.9
|
10.3
|
1.0
|
C
|
B:ALA283
|
3.9
|
14.2
|
1.0
|
CG1
|
B:VAL381
|
3.9
|
15.3
|
1.0
|
C
|
B:ALA280
|
4.0
|
17.8
|
1.0
|
CE2
|
B:TYR219
|
4.1
|
12.9
|
1.0
|
O
|
B:HOH6055
|
4.1
|
19.2
|
1.0
|
O
|
B:HOH6073
|
4.4
|
15.7
|
1.0
|
N
|
B:ASN282
|
4.4
|
13.4
|
1.0
|
N
|
B:ALA281
|
4.4
|
15.7
|
1.0
|
CA
|
B:VAL381
|
4.4
|
10.3
|
1.0
|
N
|
B:ALA283
|
4.5
|
14.4
|
1.0
|
N6A
|
B:COA6002
|
4.5
|
30.5
|
1.0
|
C
|
B:SER284
|
4.7
|
14.5
|
1.0
|
CA
|
B:SER284
|
4.8
|
13.8
|
1.0
|
CB
|
B:VAL381
|
4.8
|
13.4
|
1.0
|
N
|
B:THR285
|
4.8
|
14.8
|
1.0
|
N
|
B:SER284
|
4.8
|
12.8
|
1.0
|
CA
|
B:ALA283
|
4.8
|
13.9
|
1.0
|
C
|
B:ASN282
|
4.9
|
14.2
|
1.0
|
CA
|
B:ASN282
|
4.9
|
12.8
|
1.0
|
N
|
B:SER382
|
5.0
|
10.7
|
1.0
|
O
|
B:SER284
|
5.0
|
14.7
|
1.0
|
CB
|
B:THR285
|
5.0
|
14.2
|
1.0
|
|
Potassium binding site 3 out
of 4 in 2iby
Go back to
Potassium Binding Sites List in 2iby
Potassium binding site 3 out
of 4 in the Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function
 Mono view
 Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K3003
b:28.2
occ:1.00
|
O
|
C:ALA283
|
2.7
|
25.9
|
1.0
|
O
|
C:ALA281
|
2.7
|
28.6
|
1.0
|
O
|
C:HOH6070
|
2.7
|
27.2
|
1.0
|
O
|
C:VAL381
|
2.8
|
29.7
|
1.0
|
OH
|
C:TYR219
|
2.9
|
27.6
|
1.0
|
O
|
C:ALA280
|
3.0
|
30.1
|
1.0
|
C
|
C:ALA281
|
3.4
|
29.3
|
1.0
|
CG2
|
C:THR285
|
3.7
|
27.9
|
1.0
|
CA
|
C:ALA281
|
3.8
|
29.4
|
1.0
|
C
|
C:ALA283
|
3.9
|
25.9
|
1.0
|
C
|
C:VAL381
|
3.9
|
28.4
|
1.0
|
CZ
|
C:TYR219
|
4.0
|
29.2
|
1.0
|
C
|
C:ALA280
|
4.0
|
30.7
|
1.0
|
CG1
|
C:VAL381
|
4.1
|
28.0
|
1.0
|
O
|
C:HOH6134
|
4.2
|
37.2
|
1.0
|
CE2
|
C:TYR219
|
4.2
|
28.4
|
1.0
|
O
|
C:HOH6082
|
4.2
|
30.3
|
1.0
|
N
|
C:ALA283
|
4.3
|
28.3
|
1.0
|
N
|
C:ALA281
|
4.4
|
29.7
|
1.0
|
N
|
C:ASN282
|
4.4
|
29.3
|
1.0
|
CA
|
C:VAL381
|
4.5
|
28.1
|
1.0
|
N6A
|
C:COA6003
|
4.6
|
49.1
|
1.0
|
C
|
C:SER284
|
4.7
|
21.5
|
1.0
|
CA
|
C:ALA283
|
4.8
|
27.0
|
1.0
|
CA
|
C:SER284
|
4.8
|
22.6
|
1.0
|
N
|
C:SER284
|
4.8
|
24.3
|
1.0
|
N
|
C:THR285
|
4.9
|
24.3
|
1.0
|
C
|
C:ASN282
|
4.9
|
29.6
|
1.0
|
O
|
C:SER284
|
4.9
|
20.9
|
1.0
|
CA
|
C:ASN282
|
4.9
|
29.9
|
1.0
|
CB
|
C:VAL381
|
4.9
|
26.6
|
1.0
|
|
Potassium binding site 4 out
of 4 in 2iby
Go back to
Potassium Binding Sites List in 2iby
Potassium binding site 4 out
of 4 in the Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function
 Mono view
 Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 4 of Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase (T2): the Importance of Potassium and Chloride For Its Structure and Function within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K3004
b:26.3
occ:1.00
|
O
|
D:VAL381
|
2.7
|
24.6
|
1.0
|
O
|
D:ALA283
|
2.7
|
22.5
|
1.0
|
O
|
D:HOH6044
|
2.8
|
29.6
|
1.0
|
OH
|
D:TYR219
|
2.8
|
27.4
|
1.0
|
O
|
D:ALA281
|
3.0
|
29.7
|
1.0
|
O
|
D:ALA280
|
3.0
|
32.4
|
1.0
|
C
|
D:ALA281
|
3.6
|
29.4
|
1.0
|
C
|
D:VAL381
|
3.9
|
24.4
|
1.0
|
CG2
|
D:THR285
|
3.9
|
25.7
|
1.0
|
CZ
|
D:TYR219
|
3.9
|
26.4
|
1.0
|
CA
|
D:ALA281
|
3.9
|
30.9
|
1.0
|
C
|
D:ALA283
|
4.0
|
25.1
|
1.0
|
CG1
|
D:VAL381
|
4.1
|
24.6
|
1.0
|
C
|
D:ALA280
|
4.1
|
32.0
|
1.0
|
CE2
|
D:TYR219
|
4.3
|
25.6
|
1.0
|
O
|
D:HOH6096
|
4.3
|
32.7
|
1.0
|
O
|
D:HOH6068
|
4.3
|
29.2
|
1.0
|
CA
|
D:VAL381
|
4.4
|
25.3
|
1.0
|
N
|
D:ALA283
|
4.5
|
28.4
|
1.0
|
N
|
D:ASN282
|
4.5
|
28.1
|
1.0
|
N6A
|
D:COA6004
|
4.5
|
59.8
|
1.0
|
N
|
D:ALA281
|
4.5
|
31.2
|
1.0
|
C
|
D:SER284
|
4.8
|
25.8
|
1.0
|
CA
|
D:SER284
|
4.8
|
25.6
|
1.0
|
CB
|
D:VAL381
|
4.8
|
26.1
|
1.0
|
N
|
D:SER284
|
4.8
|
23.4
|
1.0
|
N
|
D:THR285
|
4.8
|
25.6
|
1.0
|
CA
|
D:ALA283
|
4.9
|
25.3
|
1.0
|
N
|
D:SER382
|
5.0
|
26.0
|
1.0
|
|
Reference:
A.M.Haapalainen,
G.Merilainen,
P.L.Pirila,
N.Kondo,
T.Fukao,
R.K.Wierenga.
Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-Coa Thiolase: the Importance of Potassium and Chloride Ions For Its Structure and Function Biochemistry V. 46 4305 2007.
ISSN: ISSN 0006-2960
PubMed: 17371050
DOI: 10.1021/BI6026192
Page generated: Mon Aug 12 06:38:47 2024
|