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Potassium in PDB 2ibw: 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: 2ibw 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) 48.22 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 76.143, 107.577, 101.954, 90.00, 102.89, 90.00
R / Rfree (%) 15.3 / 19.5

Other elements in 2ibw:

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:

Chlorine (Cl) 4 atoms

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 2ibw). 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: 2ibw:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 2ibw

Go back to Potassium Binding Sites List in 2ibw
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:9.5
occ:1.00
 O A:ALA283 2.7 5.2 1.0
O A:HOH6155 2.8 14.6 1.0
O A:ALA281 2.8 8.8 1.0
OH A:TYR219 2.8 12.0 1.0
O A:VAL381 2.8 9.2 1.0
O A:ALA280 3.0 9.0 1.0
C A:ALA281 3.5 10.1 1.0
CA A:ALA281 3.8 9.7 1.0
CG2 A:THR285 3.8 11.1 1.0
CZ A:TYR219 3.9 11.9 1.0
C A:ALA283 3.9 7.3 1.0
C A:VAL381 3.9 8.0 1.0
CG1 A:VAL381 4.1 9.6 1.0
C A:ALA280 4.1 10.4 1.0
CE2 A:TYR219 4.1 11.4 1.0
O A:HOH6033 4.3 10.0 1.0
O A:HOH6116 4.3 11.2 1.0
N A:ALA281 4.4 11.2 1.0
N A:ALA283 4.5 6.9 1.0
N6A A:COA6001 4.5 37.0 1.0
CA A:VAL381 4.5 7.6 1.0
N A:ASN282 4.5 7.6 1.0
C A:SER284 4.7 8.9 1.0
CA A:SER284 4.7 6.9 1.0
N A:SER284 4.8 7.0 1.0
CA A:ALA283 4.8 6.3 1.0
N A:THR285 4.8 7.2 1.0
CB A:VAL381 4.9 6.6 1.0
C A:ASN282 4.9 7.7 1.0

Potassium binding site 2 out of 4 in 2ibw

Go back to Potassium Binding Sites List in 2ibw
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:10.8
occ:1.00
 O B:ALA283 2.7 9.2 1.0
O B:VAL381 2.8 7.8 1.0
O B:HOH6076 2.8 13.0 1.0
O B:ALA281 2.8 9.6 1.0
OH B:TYR219 2.9 8.5 1.0
O B:ALA280 3.1 12.2 1.0
C B:ALA281 3.5 9.2 1.0
CG2 B:THR285 3.7 14.1 1.0
CA B:ALA281 3.8 9.8 1.0
C B:VAL381 3.9 7.8 1.0
C B:ALA283 3.9 10.3 1.0
CZ B:TYR219 3.9 8.5 1.0
CG1 B:VAL381 4.0 11.5 1.0
C B:ALA280 4.1 13.1 1.0
CE2 B:TYR219 4.2 7.2 1.0
O B:HOH6047 4.2 13.7 1.0
O B:HOH6081 4.4 11.7 1.0
N B:ALA283 4.4 9.2 1.0
CA B:VAL381 4.5 7.8 1.0
N B:ASN282 4.5 9.7 1.0
N B:ALA281 4.5 12.8 1.0
N6A B:COA6002 4.5 26.2 1.0
C B:SER284 4.7 9.7 1.0
N B:THR285 4.8 10.1 1.0
CA B:ALA283 4.8 9.7 1.0
CB B:VAL381 4.8 11.0 1.0
CA B:SER284 4.8 9.6 1.0
N B:SER284 4.8 9.6 1.0
C B:ASN282 4.9 8.4 1.0
O B:SER284 5.0 11.4 1.0
CA B:ASN282 5.0 9.4 1.0
N B:SER382 5.0 9.0 1.0

Potassium binding site 3 out of 4 in 2ibw

Go back to Potassium Binding Sites List in 2ibw
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:19.1
occ:1.00
 O C:ALA283 2.7 19.9 1.0
O C:HOH6030 2.7 21.8 1.0
O C:ALA281 2.8 20.2 1.0
O C:VAL381 2.8 19.0 1.0
OH C:TYR219 2.9 17.8 1.0
O C:ALA280 3.0 20.7 1.0
C C:ALA281 3.5 20.3 1.0
CA C:ALA281 3.9 19.9 1.0
CG2 C:THR285 3.9 21.3 1.0
C C:ALA283 3.9 19.1 1.0
C C:VAL381 4.0 19.5 1.0
CZ C:TYR219 4.0 19.2 1.0
C C:ALA280 4.1 20.7 1.0
CG1 C:VAL381 4.2 17.4 1.0
CE2 C:TYR219 4.2 18.9 1.0
O C:HOH6062 4.3 21.4 1.0
O C:HOH6081 4.3 19.1 1.0
N C:ALA281 4.5 20.6 1.0
N C:ALA283 4.5 19.6 1.0
N C:ASN282 4.5 20.8 1.0
CA C:VAL381 4.6 18.4 1.0
N6A C:COA6003 4.6 40.4 1.0
C C:SER284 4.7 17.5 1.0
CA C:SER284 4.8 18.5 1.0
N C:SER284 4.8 19.3 1.0
CA C:ALA283 4.8 19.7 1.0
N C:THR285 4.9 18.8 1.0
CB C:VAL381 5.0 18.1 1.0
O C:SER284 5.0 17.9 1.0
C C:ASN282 5.0 20.1 1.0

Potassium binding site 4 out of 4 in 2ibw

Go back to Potassium Binding Sites List in 2ibw
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:18.5
occ:1.00
 O D:ALA283 2.7 15.8 1.0
O D:VAL381 2.8 18.1 1.0
O D:HOH6082 2.9 25.7 1.0
OH D:TYR219 2.9 19.6 1.0
O D:ALA281 3.0 21.1 1.0
O D:ALA280 3.0 21.2 1.0
C D:ALA281 3.6 20.7 1.0
CA D:ALA281 3.9 21.4 1.0
CG2 D:THR285 3.9 17.9 1.0
C D:ALA283 3.9 16.1 1.0
C D:VAL381 3.9 16.3 1.0
CZ D:TYR219 4.0 19.2 1.0
C D:ALA280 4.1 21.2 1.0
CG1 D:VAL381 4.1 16.9 1.0
CE2 D:TYR219 4.3 18.9 1.0
O D:HOH6084 4.3 21.6 1.0
O D:HOH6065 4.3 16.8 1.0
N D:ALA283 4.4 19.0 1.0
N D:ALA281 4.4 21.7 1.0
N6A D:COA6004 4.5 49.4 1.0
CA D:VAL381 4.5 15.5 1.0
N D:ASN282 4.5 20.0 1.0
C D:SER284 4.7 17.0 1.0
CA D:SER284 4.7 15.2 1.0
CA D:ALA283 4.8 17.0 1.0
N D:SER284 4.8 15.9 1.0
CB D:VAL381 4.9 15.4 1.0
N D:THR285 4.9 16.7 1.0
C D:ASN282 5.0 20.2 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: Sun Dec 13 23:10:23 2020

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