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Chlorine 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:

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

Chlorine binding site 1 out of 4 in 2ibw

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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:Cl2002

b:11.9
occ:1.00
 O B:HOH6025 3.1 9.2 1.0
O B:HOH6080 3.1 14.4 1.0
N A:CYS119 3.4 8.1 1.0
ND2 B:ASN414 3.5 9.6 1.0
CA B:GLY418 3.8 9.6 1.0
O A:CYS119 3.9 8.6 1.0
CA A:PRO118 3.9 7.5 1.0
CE B:LYS124 4.0 8.4 1.0
C A:PRO118 4.1 8.2 1.0
O A:HOH6079 4.2 13.8 1.0
NZ B:LYS124 4.2 6.5 1.0
CD A:ARG105 4.3 8.1 1.0
CA A:CYS119 4.3 7.7 1.0
N B:GLY418 4.3 9.5 1.0
CB A:CYS119 4.4 8.6 1.0
OD1 B:ASN414 4.4 9.8 1.0
CG B:ASN414 4.4 9.0 1.0
C A:CYS119 4.6 9.3 1.0
O A:THR117 4.6 11.4 1.0
NE A:ARG105 4.6 9.0 1.0
CB A:PRO118 4.6 9.4 1.0
CB B:ALA319 4.7 10.0 1.0
CG B:LYS124 4.8 5.3 1.0
NH1 A:ARG105 4.9 8.3 1.0
CZ A:ARG105 4.9 8.7 1.0
N A:PRO118 5.0 9.4 1.0

Chlorine binding site 2 out of 4 in 2ibw

Go back to Chlorine Binding Sites List in 2ibw
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:10.6
occ:1.00
 O A:HOH6002 3.1 5.1 1.0
O A:HOH6044 3.2 12.6 1.0
N B:CYS119 3.4 9.0 1.0
ND2 A:ASN414 3.6 6.0 1.0
CA A:GLY418 3.7 6.8 1.0
CA B:PRO118 3.9 9.7 1.0
O B:CYS119 3.9 7.3 1.0
C B:PRO118 4.1 8.2 1.0
CE A:LYS124 4.2 7.3 1.0
N A:GLY418 4.2 8.2 1.0
O B:HOH6028 4.2 14.2 1.0
NZ A:LYS124 4.3 6.6 1.0
CA B:CYS119 4.3 8.9 1.0
CD B:ARG105 4.3 7.0 1.0
CB B:CYS119 4.3 8.2 1.0
OD1 A:ASN414 4.4 7.5 1.0
CG A:ASN414 4.5 9.1 1.0
NE B:ARG105 4.5 6.9 1.0
C B:CYS119 4.6 9.8 1.0
O B:THR117 4.6 6.9 1.0
CB B:PRO118 4.6 8.8 1.0
CB A:ALA319 4.6 8.7 1.0
CZ B:ARG105 4.8 7.6 1.0
CG A:LYS124 4.9 4.5 1.0
NH1 B:ARG105 4.9 7.5 1.0
C A:GLY418 5.0 6.4 1.0
N B:PRO118 5.0 8.7 1.0

Chlorine binding site 3 out of 4 in 2ibw

Go back to Chlorine Binding Sites List in 2ibw
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:19.3
occ:1.00
 O D:HOH6028 3.1 15.1 1.0
O D:HOH6087 3.1 19.2 1.0
N C:CYS119 3.5 15.1 1.0
ND2 D:ASN414 3.7 16.8 1.0
CA D:GLY418 3.8 14.5 1.0
CA C:PRO118 3.9 15.7 1.0
O C:CYS119 4.0 15.4 1.0
CE D:LYS124 4.0 13.2 1.0
C C:PRO118 4.2 15.3 1.0
O C:HOH6041 4.2 15.8 1.0
CD C:ARG105 4.2 14.0 1.0
N D:GLY418 4.3 15.7 1.0
NZ D:LYS124 4.3 11.6 1.0
CA C:CYS119 4.4 16.2 1.0
CB C:CYS119 4.5 15.0 1.0
OD1 D:ASN414 4.5 18.6 1.0
O C:THR117 4.5 18.2 1.0
CB D:ALA319 4.5 15.3 1.0
NE C:ARG105 4.5 14.4 1.0
CG D:ASN414 4.5 18.0 1.0
CB C:PRO118 4.6 16.4 1.0
C C:CYS119 4.7 15.9 1.0
NH1 C:ARG105 4.8 14.8 1.0
CZ C:ARG105 4.8 17.2 1.0
CG D:LYS124 4.9 12.6 1.0
N C:PRO118 4.9 16.0 1.0
C D:GLY418 5.0 14.2 1.0

Chlorine binding site 4 out of 4 in 2ibw

Go back to Chlorine Binding Sites List in 2ibw
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:19.8
occ:1.00
 O C:HOH6008 3.1 15.9 1.0
O C:HOH6034 3.2 16.9 1.0
N D:CYS119 3.4 15.8 1.0
ND2 C:ASN414 3.6 17.1 1.0
CA D:PRO118 3.9 16.9 1.0
CA C:GLY418 3.9 17.8 1.0
O D:CYS119 3.9 16.2 1.0
CE C:LYS124 4.1 14.6 1.0
NZ C:LYS124 4.1 15.0 1.0
O D:HOH6043 4.1 19.1 1.0
C D:PRO118 4.2 16.9 1.0
N C:GLY418 4.3 16.3 1.0
CD D:ARG105 4.3 13.0 1.0
CA D:CYS119 4.3 15.6 1.0
CB D:CYS119 4.4 15.4 1.0
OD1 C:ASN414 4.5 19.1 1.0
CG C:ASN414 4.5 19.3 1.0
O D:THR117 4.5 20.5 1.0
NE D:ARG105 4.5 15.9 1.0
CB D:PRO118 4.6 17.4 1.0
C D:CYS119 4.6 15.4 1.0
CB C:ALA319 4.7 16.6 1.0
CZ D:ARG105 4.8 15.1 1.0
CG C:LYS124 4.8 12.4 1.0
NH1 D:ARG105 4.8 16.9 1.0
N D:PRO118 4.9 17.8 1.0
C C:GLY418 5.0 16.4 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: Thu Jul 10 22:43:47 2025

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