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Chlorine in PDB 2ibu: 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: 2ibu 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) 19.46 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 75.249, 106.569, 101.497, 90.00, 102.90, 90.00
R / Rfree (%) 16.6 / 19.8

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 2ibu). 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: 2ibu:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2ibu

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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:Cl2001

b:14.4
occ:1.00
 O A:HOH6020 3.1 10.7 1.0
O A:HOH6003 3.1 9.8 1.0
N B:CYS119 3.3 9.8 1.0
ND2 A:ASN414 3.5 12.5 1.0
CA A:GLY418 3.7 10.0 1.0
CA B:PRO118 3.9 13.0 1.0
O B:CYS119 3.9 10.8 1.0
CE A:LYS124 4.0 11.2 1.0
C B:PRO118 4.1 12.6 1.0
N A:GLY418 4.1 11.3 1.0
CD B:ARG105 4.2 12.5 1.0
O B:HOH6018 4.2 12.7 1.0
CA B:CYS119 4.2 11.4 1.0
NZ A:LYS124 4.2 9.5 1.0
CB B:CYS119 4.2 10.8 1.0
OD1 A:ASN414 4.4 12.9 1.0
CG A:ASN414 4.4 13.2 1.0
NE B:ARG105 4.4 12.8 1.0
O B:THR117 4.4 12.3 1.0
C B:CYS119 4.5 11.0 1.0
CB A:ALA319 4.5 14.1 1.0
CB B:PRO118 4.6 13.9 1.0
CZ B:ARG105 4.7 13.4 1.0
CG A:LYS124 4.8 10.0 1.0
NH1 B:ARG105 4.8 13.7 1.0
C A:GLY418 4.9 9.2 1.0
N B:PRO118 5.0 14.7 1.0
SG B:CYS119 5.0 11.7 1.0

Chlorine binding site 2 out of 4 in 2ibu

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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
A:Cl2002

b:14.2
occ:1.00
 O B:HOH6044 3.1 13.7 1.0
O B:HOH6025 3.2 13.2 1.0
N A:CYS119 3.4 10.6 1.0
ND2 B:ASN414 3.5 14.7 1.0
CA B:GLY418 3.8 15.9 1.0
O A:CYS119 3.8 12.4 1.0
CE B:LYS124 3.9 11.1 1.0
CA A:PRO118 3.9 12.7 1.0
NZ B:LYS124 4.0 11.6 1.0
C A:PRO118 4.1 12.8 1.0
O A:HOH6029 4.2 15.3 1.0
CD A:ARG105 4.2 13.6 1.0
N B:GLY418 4.3 15.1 1.0
CA A:CYS119 4.3 10.5 1.0
CB A:CYS119 4.3 11.2 1.0
OD1 B:ASN414 4.4 15.2 1.0
CG B:ASN414 4.4 14.4 1.0
O A:THR117 4.5 13.5 1.0
NE A:ARG105 4.5 13.9 1.0
C A:CYS119 4.5 10.3 1.0
CB B:ALA319 4.6 14.5 1.0
CB A:PRO118 4.6 13.3 1.0
CG B:LYS124 4.7 8.9 1.0
CZ A:ARG105 4.8 14.1 1.0
NH1 A:ARG105 4.8 13.0 1.0
CD B:LYS124 4.9 10.3 1.0
SG A:CYS119 5.0 12.9 1.0
C B:GLY418 5.0 13.2 1.0
N A:PRO118 5.0 13.9 1.0

Chlorine binding site 3 out of 4 in 2ibu

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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:25.2
occ:1.00
 O D:HOH6042 3.0 27.3 1.0
O D:HOH6013 3.0 23.0 1.0
N C:CYS119 3.4 22.9 1.0
ND2 D:ASN414 3.6 22.5 1.0
CA D:GLY418 3.8 25.4 1.0
CA C:PRO118 3.9 24.4 1.0
O C:CYS119 4.0 22.3 1.0
CE D:LYS124 4.0 19.1 1.0
O C:HOH6033 4.1 21.5 1.0
CD C:ARG105 4.1 22.0 1.0
C C:PRO118 4.1 24.0 1.0
N D:GLY418 4.2 26.3 1.0
NZ D:LYS124 4.2 19.4 1.0
CA C:CYS119 4.3 23.4 1.0
CB C:CYS119 4.4 24.3 1.0
O C:THR117 4.4 28.0 1.0
NE C:ARG105 4.4 23.6 1.0
CG D:ASN414 4.5 24.2 1.0
CB D:ALA319 4.5 24.1 1.0
OD1 D:ASN414 4.5 26.0 1.0
CB C:PRO118 4.6 24.1 1.0
C C:CYS119 4.6 22.8 1.0
CZ C:ARG105 4.7 24.5 1.0
NH1 C:ARG105 4.7 23.0 1.0
CG D:LYS124 4.8 20.4 1.0
N C:PRO118 4.9 24.8 1.0
C D:GLY418 4.9 25.2 1.0
SG C:CYS119 5.0 25.3 1.0
C D:GLY417 5.0 27.3 1.0

Chlorine binding site 4 out of 4 in 2ibu

Go back to Chlorine Binding Sites List in 2ibu
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:23.2
occ:1.00
 O C:HOH6011 3.1 20.3 1.0
O C:HOH6030 3.2 19.8 1.0
N D:CYS119 3.3 21.7 1.0
ND2 C:ASN414 3.6 19.9 1.0
CA D:PRO118 3.8 22.2 1.0
CA C:GLY418 3.8 23.7 1.0
O D:CYS119 3.9 20.9 1.0
C D:PRO118 4.0 21.8 1.0
CE C:LYS124 4.1 21.7 1.0
CD D:ARG105 4.2 19.2 1.0
O D:HOH6005 4.2 20.6 1.0
NZ C:LYS124 4.2 19.3 1.0
CA D:CYS119 4.2 20.6 1.0
N C:GLY418 4.3 23.0 1.0
CB D:CYS119 4.3 21.6 1.0
OD1 C:ASN414 4.4 22.2 1.0
O D:THR117 4.4 25.9 1.0
CG C:ASN414 4.4 22.9 1.0
NE D:ARG105 4.5 22.1 1.0
C D:CYS119 4.5 21.5 1.0
CB C:ALA319 4.5 25.1 1.0
CB D:PRO118 4.6 22.9 1.0
CG C:LYS124 4.7 19.0 1.0
CZ D:ARG105 4.8 22.8 1.0
NH1 D:ARG105 4.8 23.4 1.0
N D:PRO118 4.8 23.8 1.0
C C:GLY418 4.9 23.6 1.0
SG D:CYS119 5.0 21.6 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 08:07:45 2024

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