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Chlorine in PDB 3tw6: Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A

Enzymatic activity of Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A

All present enzymatic activity of Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A:
6.4.1.1;

Protein crystallography data

The structure of Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A, PDB code: 3tw6 was solved by M.St Maurice, S.Kumar, A.D.Lietzan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.43 / 2.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 370.445, 91.550, 261.354, 90.00, 134.71, 90.00
R / Rfree (%) 18.9 / 23.5

Other elements in 3tw6:

The structure of Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A also contains other interesting chemical elements:

Magnesium (Mg) 7 atoms
Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A (pdb code 3tw6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A, PDB code: 3tw6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3tw6

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Chlorine binding site 1 out of 8 in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1600

b:55.3
occ:1.00
N A:ILE65 2.9 72.1 1.0
CD A:PRO64 3.0 77.0 1.0
N A:GLU66 3.1 79.2 1.0
N A:PRO64 3.1 77.8 1.0
C A:GLY63 3.4 79.8 1.0
CA A:GLY63 3.5 81.2 1.0
CA A:ILE65 3.5 73.5 1.0
CB A:ILE65 3.6 71.0 1.0
CB A:GLU66 3.7 80.5 1.0
CG A:PRO64 3.8 75.2 1.0
C A:ILE65 3.8 73.5 1.0
C A:PRO64 3.9 73.4 1.0
CA A:PRO64 4.0 73.8 1.0
CA A:GLU66 4.1 79.6 1.0
O A:GLY63 4.2 74.9 1.0
CB A:PRO64 4.5 74.6 1.0
CG2 A:ILE65 4.5 70.0 1.0
CG1 A:ILE65 4.6 73.9 1.0
N A:GLY63 4.6 89.5 1.0
OE1 A:GLU66 4.7 86.2 1.0
O A:PRO64 5.0 72.7 1.0

Chlorine binding site 2 out of 8 in 3tw6

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Chlorine binding site 2 out of 8 in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1601

b:23.0
occ:1.00
N A:LYS989 3.5 32.9 1.0
N A:VAL990 3.5 29.4 1.0
C A:TYR987 3.5 29.7 1.0
CA A:TYR987 3.5 28.4 1.0
CB A:LYS989 3.6 37.5 1.0
N A:PRO988 3.7 31.4 1.0
CB A:TYR987 3.8 27.4 1.0
CD A:PRO988 3.9 31.4 1.0
CG2 A:VAL990 3.9 28.7 1.0
CD1 A:TYR987 3.9 26.5 1.0
CA A:LYS989 4.0 33.9 1.0
O A:TYR987 4.0 29.4 1.0
C A:LYS989 4.2 32.9 1.0
CE2 A:TYR628 4.2 36.7 1.0
CG A:LYS989 4.3 44.0 1.0
CB A:VAL990 4.3 30.3 1.0
CG A:TYR987 4.4 26.4 1.0
CA A:VAL990 4.5 30.8 1.0
C A:PRO988 4.5 32.1 1.0
CA A:PRO988 4.6 31.8 1.0
CG A:PRO988 4.7 32.8 1.0
CD2 A:TYR628 4.7 38.2 1.0
CZ A:TYR628 4.8 39.6 1.0
N A:TYR987 4.9 27.9 1.0
OH A:TYR628 5.0 40.2 1.0

Chlorine binding site 3 out of 8 in 3tw6

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Chlorine binding site 3 out of 8 in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1600

b:35.3
occ:1.00
CA B:GLY63 3.6 49.1 1.0
N B:ILE65 3.6 45.2 1.0
N B:GLU66 3.7 47.1 1.0
C B:GLY63 3.7 48.5 1.0
N B:PRO64 3.8 48.4 1.0
CD B:PRO64 3.8 46.7 1.0
CB B:GLU66 3.9 50.4 1.0
CB B:ILE65 4.1 45.3 1.0
CG B:PRO64 4.1 46.1 1.0
CA B:ILE65 4.3 44.8 1.0
O B:GLY63 4.3 51.3 1.0
CA B:GLU66 4.4 47.7 1.0
C B:ILE65 4.5 46.0 1.0
N B:GLY63 4.6 50.9 1.0
OE1 B:GLU66 4.6 54.7 1.0
C B:PRO64 4.6 45.8 1.0
CA B:PRO64 4.7 46.1 1.0
CG B:GLU66 5.0 53.9 1.0

Chlorine binding site 4 out of 8 in 3tw6

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Chlorine binding site 4 out of 8 in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1601

b:22.4
occ:1.00
N B:LYS989 3.4 36.0 1.0
N B:VAL990 3.4 36.2 1.0
CA B:TYR987 3.6 31.5 1.0
C B:TYR987 3.6 33.5 1.0
CB B:LYS989 3.7 36.9 1.0
N B:PRO988 3.7 33.0 1.0
CB B:TYR987 3.9 30.2 1.0
CA B:LYS989 3.9 36.4 1.0
CG2 B:VAL990 3.9 32.6 1.0
CD B:PRO988 3.9 33.6 1.0
CD1 B:TYR987 3.9 28.6 1.0
CE2 B:TYR628 4.0 41.7 1.0
C B:LYS989 4.1 35.2 1.0
O B:TYR987 4.2 34.6 1.0
CB B:VAL990 4.2 33.8 1.0
C B:PRO988 4.3 35.3 1.0
CG B:TYR987 4.4 29.2 1.0
CA B:VAL990 4.4 34.4 1.0
CG B:PRO988 4.5 34.5 1.0
CA B:PRO988 4.6 34.5 1.0
CZ B:TYR628 4.6 43.3 1.0
CD2 B:TYR628 4.6 41.7 1.0
CG B:LYS989 4.7 40.4 1.0
OH B:TYR628 4.7 50.0 1.0
N B:TYR987 5.0 31.6 1.0

Chlorine binding site 5 out of 8 in 3tw6

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Chlorine binding site 5 out of 8 in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1600

b:49.8
occ:1.00
N C:GLU66 3.2 63.2 1.0
N C:ILE65 3.3 55.9 1.0
CA C:GLY63 3.5 61.7 1.0
N C:PRO64 3.6 59.7 1.0
C C:GLY63 3.6 61.6 1.0
CD C:PRO64 3.6 60.5 1.0
CB C:GLU66 3.8 64.3 1.0
CA C:ILE65 3.8 58.5 1.0
CB C:ILE65 3.9 55.1 1.0
C C:ILE65 4.0 62.2 1.0
CA C:GLU66 4.1 63.8 1.0
CG C:PRO64 4.2 56.8 1.0
C C:PRO64 4.3 55.3 1.0
O C:GLY63 4.4 59.1 1.0
N C:GLY63 4.4 63.0 1.0
CA C:PRO64 4.4 56.4 1.0
OE1 C:GLU66 4.7 67.0 1.0
CB C:PRO64 4.9 57.0 1.0
CG C:GLU66 4.9 68.8 1.0

Chlorine binding site 6 out of 8 in 3tw6

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Chlorine binding site 6 out of 8 in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1601

b:24.6
occ:1.00
N C:VAL990 3.5 36.5 1.0
N C:LYS989 3.5 37.9 1.0
C C:TYR987 3.6 31.9 1.0
CA C:TYR987 3.7 30.5 1.0
CB C:LYS989 3.8 43.1 1.0
N C:PRO988 3.9 31.9 1.0
CB C:TYR987 3.9 29.6 1.0
CD1 C:TYR987 3.9 29.4 1.0
CD C:PRO988 4.0 31.6 1.0
O C:TYR987 4.0 31.8 1.0
CG2 C:VAL990 4.0 33.0 1.0
CA C:LYS989 4.0 39.9 1.0
CE2 C:TYR628 4.2 41.8 1.0
CB C:VAL990 4.2 34.0 1.0
C C:LYS989 4.3 39.9 1.0
CG C:TYR987 4.4 29.3 1.0
C C:PRO988 4.4 35.6 1.0
CA C:VAL990 4.5 33.7 1.0
CZ C:TYR628 4.7 45.7 1.0
CA C:PRO988 4.7 34.0 1.0
OH C:TYR628 4.7 53.8 1.0
CD2 C:TYR628 4.8 39.1 1.0
CG C:PRO988 4.9 32.8 1.0

Chlorine binding site 7 out of 8 in 3tw6

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Chlorine binding site 7 out of 8 in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1600

b:39.3
occ:1.00
N D:ILE65 3.5 45.3 1.0
N D:GLU66 3.5 49.4 1.0
N D:PRO64 3.6 45.8 1.0
CA D:GLY63 3.7 45.8 1.0
C D:GLY63 3.7 44.8 1.0
CD D:PRO64 3.8 42.9 1.0
CB D:ILE65 3.9 49.9 1.0
CB D:GLU66 3.9 51.1 1.0
CG D:PRO64 4.1 44.1 1.0
CA D:ILE65 4.2 46.4 1.0
CG1 D:ILE65 4.3 48.9 1.0
CA D:GLU66 4.3 48.1 1.0
C D:ILE65 4.4 47.2 1.0
O D:GLY63 4.4 42.6 1.0
C D:PRO64 4.5 44.4 1.0
N D:GLY63 4.5 49.3 1.0
CA D:PRO64 4.5 44.8 1.0
CB D:PRO64 4.8 43.8 1.0
OE1 D:GLU66 5.0 60.2 1.0

Chlorine binding site 8 out of 8 in 3tw6

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Chlorine binding site 8 out of 8 in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Rhizobium Etli Pyruvate Carboxylase T882A with the Allosteric Activator, Acetyl Coenzyme-A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1601

b:25.9
occ:1.00
N D:VAL990 3.4 32.5 1.0
N D:LYS989 3.4 35.0 1.0
CB D:LYS989 3.6 40.0 1.0
C D:TYR987 3.6 30.9 1.0
CA D:TYR987 3.7 29.4 1.0
N D:PRO988 3.8 31.2 1.0
CA D:LYS989 3.8 37.1 1.0
CB D:TYR987 3.9 30.8 1.0
CD D:PRO988 3.9 32.1 1.0
CE2 D:TYR628 3.9 40.8 1.0
CD1 D:TYR987 3.9 31.9 1.0
O D:TYR987 4.0 30.4 1.0
CG2 D:VAL990 4.0 31.7 1.0
C D:LYS989 4.1 35.2 1.0
CB D:VAL990 4.2 33.9 1.0
CA D:VAL990 4.4 33.6 1.0
C D:PRO988 4.4 34.5 1.0
CZ D:TYR628 4.4 43.0 1.0
CG D:TYR987 4.4 31.2 1.0
OH D:TYR628 4.5 46.8 1.0
CG D:PRO988 4.5 30.9 1.0
CD2 D:TYR628 4.5 43.1 1.0
CA D:PRO988 4.7 32.5 1.0
CG D:LYS989 4.9 41.0 1.0

Reference:

A.D.Lietzan, A.L.Menefee, T.N.Zeczycki, S.Kumar, P.V.Attwood, J.C.Wallace, W.W.Cleland, M.St Maurice. Interaction Between the Biotin Carboxyl Carrier Domain and the Biotin Carboxylase Domain in Pyruvate Carboxylase From Rhizobium Etli. Biochemistry V. 50 9708 2011.
ISSN: ISSN 0006-2960
PubMed: 21958016
DOI: 10.1021/BI201277J
Page generated: Sat Dec 12 10:13:18 2020

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