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Chlorine in PDB 2ib8: 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: 2ib8 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) 47.25 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 75.651, 107.277, 102.209, 90.00, 103.07, 90.00
R / Rfree (%) 16.2 / 20.5

Other elements in 2ib8:

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 (K) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 2ib8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine 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: 2ib8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2ib8

Go back to Chlorine Binding Sites List in 2ib8
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl2002

b:15.0
occ:1.00
 O B:HOH5055 3.1 14.1 1.0
O B:HOH5010 3.2 9.5 1.0
N A:CYS119 3.4 10.6 1.0
ND2 B:ASN414 3.5 11.8 1.0
CA B:GLY418 3.8 14.6 1.0
O A:CYS119 3.8 12.2 1.0
CA A:PRO118 3.9 9.8 1.0
CE B:LYS124 3.9 9.7 1.0
C A:PRO118 4.1 11.8 1.0
O A:HOH5079 4.2 14.5 1.0
NZ B:LYS124 4.2 9.8 1.0
CD A:ARG105 4.2 12.4 1.0
N B:GLY418 4.2 14.2 1.0
CA A:CYS119 4.3 10.4 1.0
CB A:CYS119 4.4 8.8 1.0
OD1 B:ASN414 4.4 13.2 1.0
CG B:ASN414 4.4 11.4 1.0
NE A:ARG105 4.5 12.8 1.0
C A:CYS119 4.5 12.6 1.0
O A:THR117 4.6 12.2 1.0
CB A:PRO118 4.6 11.3 1.0
CG B:LYS124 4.6 7.9 1.0
CB B:ALA319 4.7 13.4 1.0
CZ A:ARG105 4.8 14.2 1.0
CD B:LYS124 4.9 8.3 1.0
NH1 A:ARG105 4.9 12.8 1.0
C B:GLY418 5.0 14.2 1.0

Chlorine binding site 2 out of 4 in 2ib8

Go back to Chlorine Binding Sites List in 2ib8
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl2001

b:12.8
occ:1.00
 O A:HOH5002 3.2 8.5 1.0
O A:HOH5036 3.2 11.2 1.0
N B:CYS119 3.3 10.0 1.0
ND2 A:ASN414 3.6 9.1 1.0
CA A:GLY418 3.7 9.7 1.0
CA B:PRO118 3.9 11.7 1.0
O B:CYS119 3.9 10.7 1.0
CE A:LYS124 4.0 11.6 1.0
C B:PRO118 4.1 11.8 1.0
N A:GLY418 4.2 11.4 1.0
O B:HOH5024 4.2 14.0 1.0
CA B:CYS119 4.2 10.8 1.0
CD B:ARG105 4.3 12.1 1.0
NZ A:LYS124 4.3 10.1 1.0
CB B:CYS119 4.3 12.4 1.0
OD1 A:ASN414 4.4 10.4 1.0
CG A:ASN414 4.5 11.2 1.0
O B:THR117 4.5 10.3 1.0
C B:CYS119 4.5 11.7 1.0
CB A:ALA319 4.5 11.7 1.0
NE B:ARG105 4.5 11.6 1.0
CB B:PRO118 4.7 13.7 1.0
CG A:LYS124 4.8 8.5 1.0
NH1 B:ARG105 4.8 13.1 1.0
CZ B:ARG105 4.8 14.2 1.0
C A:GLY418 4.9 10.2 1.0

Chlorine binding site 3 out of 4 in 2ib8

Go back to Chlorine Binding Sites List in 2ib8
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl2004

b:24.7
occ:1.00
 O D:HOH3090 3.1 21.8 1.0
O D:HOH3036 3.1 23.1 1.0
ND2 D:ASN414 3.5 21.1 1.0
N C:CYS119 3.5 21.5 1.0
CA D:GLY418 3.8 23.8 1.0
CE D:LYS124 3.9 17.9 1.0
O C:CYS119 3.9 20.7 1.0
CA C:PRO118 4.0 22.7 1.0
O C:HOH5051 4.1 20.0 1.0
CD C:ARG105 4.2 21.5 1.0
NZ D:LYS124 4.2 15.9 1.0
N D:GLY418 4.2 26.5 1.0
C C:PRO118 4.3 22.8 1.0
OD1 D:ASN414 4.4 24.9 1.0
CG D:ASN414 4.4 24.3 1.0
CA C:CYS119 4.4 21.2 1.0
NE C:ARG105 4.4 21.9 1.0
CB C:CYS119 4.5 20.6 1.0
O C:THR117 4.6 26.4 1.0
CB D:ALA319 4.6 24.2 1.0
C C:CYS119 4.7 21.9 1.0
CB C:PRO118 4.7 24.4 1.0
CZ C:ARG105 4.8 23.4 1.0
CG D:LYS124 4.8 17.7 1.0
NH1 C:ARG105 4.8 21.1 1.0
C D:GLY418 4.9 23.6 1.0

Chlorine binding site 4 out of 4 in 2ib8

Go back to Chlorine Binding Sites List in 2ib8
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl2003

b:20.8
occ:1.00
 O C:HOH5017 3.1 20.9 1.0
O C:HOH5060 3.2 19.1 1.0
N D:CYS119 3.4 21.7 1.0
ND2 C:ASN414 3.5 17.2 1.0
O D:CYS119 3.9 21.4 1.0
CA C:GLY418 3.9 21.5 1.0
CA D:PRO118 3.9 21.9 1.0
CE C:LYS124 4.0 17.5 1.0
O D:HOH3007 4.1 20.0 1.0
NZ C:LYS124 4.1 15.0 1.0
C D:PRO118 4.2 21.9 1.0
CD D:ARG105 4.2 20.6 1.0
N C:GLY418 4.3 20.6 1.0
CA D:CYS119 4.3 20.4 1.0
OD1 C:ASN414 4.4 19.9 1.0
CG C:ASN414 4.4 19.0 1.0
CB D:CYS119 4.4 19.8 1.0
NE D:ARG105 4.5 22.1 1.0
C D:CYS119 4.6 20.2 1.0
O D:THR117 4.6 25.4 1.0
CB D:PRO118 4.6 22.2 1.0
CB C:ALA319 4.7 21.4 1.0
CG C:LYS124 4.7 16.5 1.0
CZ D:ARG105 4.8 22.8 1.0
NH1 D:ARG105 4.9 23.0 1.0
N D:PRO118 5.0 23.6 1.0
CD C:LYS124 5.0 15.5 1.0
C C:GLY418 5.0 21.4 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: Sat Jul 20 08:07:22 2024

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