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Chlorine in PDB 6p7u: Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis

Enzymatic activity of Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis

All present enzymatic activity of Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis:
6.4.1.3;

Protein crystallography data

The structure of Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis, PDB code: 6p7u was solved by M.C.M.Reddy, J.C.Sacchettini, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.76 / 2.20
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 149.604, 153.343, 102.863, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 20.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis (pdb code 6p7u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis, PDB code: 6p7u:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6p7u

Go back to Chlorine Binding Sites List in 6p7u
Chlorine binding site 1 out of 4 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:29.4
occ:1.00
 CL1 A:FTJ501 0.0 29.4 1.0
C3 A:FTJ501 1.7 23.6 1.0
C2 A:FTJ501 2.7 20.2 1.0
C4 A:FTJ501 2.7 22.1 1.0
CD1 B:LEU295 3.5 28.8 1.0
CA B:GLY341 3.6 25.4 1.0
CB B:ALA300 3.7 21.9 1.0
CB B:LEU295 3.9 24.0 1.0
C1 A:FTJ501 4.0 24.0 1.0
C5 A:FTJ501 4.0 27.9 1.0
CG B:LEU295 4.1 31.9 1.0
CD2 B:LEU344 4.2 27.4 1.0
CG2 B:VAL337 4.4 27.1 1.0
CD2 B:LEU295 4.4 29.2 1.0
C6 A:FTJ501 4.5 25.0 1.0
N B:GLY341 4.5 29.6 1.0
CB B:ALA370 4.6 18.7 1.0
O B:VAL337 4.7 23.4 1.0
C B:GLY341 4.7 27.5 1.0
CA B:ALA300 4.7 24.4 1.0
O B:GLY341 4.8 23.9 1.0
OH A:TYR141 4.9 42.2 1.0
CB B:LEU344 4.9 19.0 1.0
O B:ASN296 5.0 25.0 1.0

Chlorine binding site 2 out of 4 in 6p7u

Go back to Chlorine Binding Sites List in 6p7u
Chlorine binding site 2 out of 4 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:23.5
occ:1.00
 CL1 B:FTJ501 0.0 23.5 1.0
C3 B:FTJ501 1.7 21.8 1.0
C2 B:FTJ501 2.7 17.0 1.0
C4 B:FTJ501 2.7 21.5 1.0
CD1 A:LEU295 3.6 18.4 1.0
CB A:ALA300 3.6 13.5 1.0
CA A:GLY341 3.7 13.3 1.0
CB A:LEU295 3.9 17.1 1.0
C1 B:FTJ501 4.0 24.9 1.0
C5 B:FTJ501 4.0 23.1 1.0
CG A:LEU295 4.2 24.8 1.0
CD2 A:LEU344 4.2 16.5 1.0
CD2 A:LEU295 4.4 22.8 1.0
CG2 A:VAL337 4.4 18.2 1.0
C6 B:FTJ501 4.5 26.8 1.0
CB A:ALA370 4.6 17.4 1.0
N A:GLY341 4.6 17.2 1.0
CA A:ALA300 4.6 16.5 1.0
O A:VAL337 4.7 18.4 1.0
C A:GLY341 4.7 18.3 1.0
O A:GLY341 4.8 19.8 1.0
OH B:TYR141 4.9 31.6 1.0
O A:ASN296 5.0 21.9 1.0

Chlorine binding site 3 out of 4 in 6p7u

Go back to Chlorine Binding Sites List in 6p7u
Chlorine binding site 3 out of 4 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:31.0
occ:1.00
 CL1 C:FTJ501 0.0 31.0 1.0
C3 C:FTJ501 1.7 32.8 1.0
C2 C:FTJ501 2.7 24.8 1.0
C4 C:FTJ501 2.7 27.2 1.0
CB D:ALA300 3.6 15.3 1.0
CA D:GLY341 3.7 25.9 1.0
CD1 D:LEU295 3.7 28.1 1.0
CB D:LEU295 3.9 21.6 1.0
C1 C:FTJ501 4.0 27.4 1.0
C5 C:FTJ501 4.0 31.4 1.0
CD2 D:LEU344 4.1 19.5 1.0
CG D:LEU295 4.2 27.1 1.0
CD2 D:LEU295 4.2 24.2 1.0
C6 C:FTJ501 4.5 30.3 1.0
N D:GLY341 4.5 30.2 1.0
CB D:ALA370 4.5 18.7 1.0
CG2 D:VAL337 4.6 25.5 1.0
CA D:ALA300 4.6 19.6 1.0
C D:GLY341 4.7 27.8 1.0
O D:GLY341 4.8 26.1 1.0
O D:VAL337 4.8 30.5 1.0
CB D:LEU344 4.9 16.2 1.0
O D:ASN296 4.9 30.1 1.0

Chlorine binding site 4 out of 4 in 6p7u

Go back to Chlorine Binding Sites List in 6p7u
Chlorine binding site 4 out of 4 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:27.6
occ:1.00
 CL1 D:FTJ501 0.0 27.6 1.0
C3 D:FTJ501 1.7 25.3 1.0
C2 D:FTJ501 2.7 20.8 1.0
C4 D:FTJ501 2.7 28.6 1.0
CA C:GLY341 3.6 18.0 1.0
CB C:ALA300 3.7 22.7 1.0
CD1 C:LEU295 3.8 22.8 1.0
CB C:LEU295 4.0 21.5 1.0
C1 D:FTJ501 4.0 21.6 1.0
C5 D:FTJ501 4.0 30.0 1.0
CD2 C:LEU295 4.1 29.8 1.0
CG C:LEU295 4.1 30.9 1.0
CD2 C:LEU344 4.3 18.7 1.0
CB C:ALA370 4.4 18.4 1.0
C6 D:FTJ501 4.5 26.3 1.0
CG2 C:VAL337 4.6 21.6 1.0
N C:GLY341 4.6 24.5 1.0
CA C:ALA300 4.6 21.7 1.0
C C:GLY341 4.6 24.1 1.0
O C:GLY341 4.7 24.9 1.0
O C:VAL337 4.8 33.8 1.0
CB C:LEU344 5.0 20.5 1.0
OH D:TYR141 5.0 43.1 1.0

Reference:

M.C.M.Reddy, J.C.Sacchettini. Inhibition of Mycobacterium Tuberculosis Acetyl-Coa Carboxyltransferase(ACCD6)D Omain of Acetyl-Coenzyme A Carboxylase By Quizalofop-P To Be Published.
Page generated: Mon Jul 29 13:11:14 2024

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