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

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

All present enzymatic activity of Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative 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 Derivative From Mycobacterium Tuberculosis, PDB code: 6prw was solved by M.C.M.Reddy, Z.Nian, S.T.C.Michele, J.C.Sacchettini, Tb Structuralgenomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.54 / 2.61
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 102.782, 150.406, 152.644, 90.00, 89.73, 90.00
R / Rfree (%) 18.5 / 23.9

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 Derivative From Mycobacterium Tuberculosis (pdb code 6prw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative From Mycobacterium Tuberculosis, PDB code: 6prw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6prw

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Chlorine binding site 1 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative 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 Derivative From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:54.0
occ:1.00
 CL16 A:OWD501 0.0 54.0 1.0
C15 A:OWD501 1.8 43.8 1.0
C17 A:OWD501 2.7 42.3 1.0
C14 A:OWD501 2.8 41.1 1.0
CA B:GLY341 3.6 39.6 1.0
CD1 B:LEU295 3.8 41.1 1.0
CB B:ALA300 3.9 37.8 1.0
CB B:LEU295 3.9 44.5 1.0
C18 A:OWD501 4.0 44.6 1.0
C13 A:OWD501 4.1 42.7 1.0
CD2 B:LEU344 4.3 43.6 1.0
CG B:LEU295 4.4 46.0 1.0
N B:GLY341 4.5 42.4 1.0
CG2 B:VAL337 4.5 41.5 1.0
CB B:ALA370 4.5 44.3 1.0
C19 A:OWD501 4.6 43.6 1.0
C B:GLY341 4.6 44.5 1.0
O B:GLY341 4.7 45.4 1.0
O B:VAL337 4.7 47.3 1.0
CD2 B:LEU295 4.8 47.3 1.0
CA B:ALA300 4.9 34.5 1.0
OH A:TYR141 5.0 47.6 1.0
CB B:LEU344 5.0 37.4 1.0

Chlorine binding site 2 out of 8 in 6prw

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Chlorine binding site 2 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative 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 Derivative From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:39.9
occ:1.00
 CL16 B:OWD501 0.0 39.9 1.0
C15 B:OWD501 1.8 28.6 1.0
C14 B:OWD501 2.7 29.0 1.0
C17 B:OWD501 2.7 27.2 1.0
CA A:GLY341 3.5 30.7 1.0
CB A:ALA300 3.6 34.2 1.0
CD1 A:LEU295 3.6 35.7 1.0
CB A:LEU295 3.9 32.0 1.0
C13 B:OWD501 4.0 33.2 1.0
C18 B:OWD501 4.0 34.0 1.0
CD2 A:LEU344 4.2 22.0 1.0
CG A:LEU295 4.2 31.3 1.0
N A:GLY341 4.4 36.4 1.0
C A:GLY341 4.5 36.3 1.0
O A:GLY341 4.5 30.6 1.0
C19 B:OWD501 4.6 36.0 1.0
CG2 A:VAL337 4.6 41.8 1.0
CD2 A:LEU295 4.6 33.1 1.0
CA A:ALA300 4.6 35.9 1.0
O A:VAL337 4.7 37.6 1.0
CB A:ALA370 4.7 30.2 1.0
CB A:LEU344 4.8 23.8 1.0
OH B:TYR141 4.9 33.1 1.0

Chlorine binding site 3 out of 8 in 6prw

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Chlorine binding site 3 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative 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 Derivative From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:45.9
occ:1.00
 CL16 C:OWD501 0.0 45.9 1.0
C15 C:OWD501 1.8 43.4 1.0
C17 C:OWD501 2.7 51.2 1.0
C14 C:OWD501 2.8 38.9 1.0
CB D:ALA300 3.7 35.2 1.0
CD1 D:LEU295 3.8 37.3 1.0
CB D:LEU295 3.8 34.2 1.0
CA D:GLY341 3.8 33.6 1.0
C18 C:OWD501 4.0 42.9 1.0
C13 C:OWD501 4.0 44.4 1.0
CD2 D:LEU295 4.1 39.6 1.0
CG D:LEU295 4.1 32.0 1.0
CD2 D:LEU344 4.3 34.3 1.0
CG2 D:VAL337 4.4 41.2 1.0
C19 C:OWD501 4.6 41.5 1.0
CA D:ALA300 4.7 34.6 1.0
CB D:ALA370 4.7 41.7 1.0
O D:GLY341 4.8 38.0 1.0
C D:GLY341 4.8 42.6 1.0
N D:GLY341 4.8 43.2 1.0
O D:VAL337 4.9 43.1 1.0
O D:ASN296 4.9 36.5 1.0

Chlorine binding site 4 out of 8 in 6prw

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Chlorine binding site 4 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative 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 Derivative From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:49.9
occ:1.00
 CL16 D:OWD501 0.0 49.9 1.0
C15 D:OWD501 1.8 45.2 1.0
C14 D:OWD501 2.7 42.5 1.0
C17 D:OWD501 2.8 45.0 1.0
CA C:GLY341 3.6 34.4 1.0
CB C:ALA300 3.7 32.0 1.0
CB C:LEU295 3.9 33.6 1.0
CD1 C:LEU295 4.0 39.5 1.0
C13 D:OWD501 4.0 37.5 1.0
C18 D:OWD501 4.1 40.0 1.0
CD2 C:LEU344 4.3 33.9 1.0
CG C:LEU295 4.3 32.0 1.0
CD2 C:LEU295 4.3 38.8 1.0
N C:GLY341 4.5 40.7 1.0
CB C:ALA370 4.5 37.9 1.0
CG2 C:VAL337 4.5 36.3 1.0
C19 D:OWD501 4.6 39.6 1.0
C C:GLY341 4.6 39.0 1.0
O C:VAL337 4.7 41.0 1.0
CA C:ALA300 4.7 32.4 1.0
O C:GLY341 4.8 33.7 1.0

Chlorine binding site 5 out of 8 in 6prw

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Chlorine binding site 5 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl501

b:54.5
occ:1.00
 CL16 E:OWD501 0.0 54.5 1.0
C15 E:OWD501 1.8 45.5 1.0
C14 E:OWD501 2.8 42.0 1.0
C17 E:OWD501 2.8 42.5 1.0
CD1 F:LEU295 3.5 39.5 1.0
CB F:LEU295 3.7 40.9 1.0
CA F:GLY341 3.7 39.2 1.0
CB F:ALA300 3.8 39.7 1.0
CG F:LEU295 4.1 47.5 1.0
C18 E:OWD501 4.1 45.3 1.0
C13 E:OWD501 4.1 45.9 1.0
CD2 F:LEU344 4.4 32.3 1.0
CG2 F:VAL337 4.4 42.8 1.0
CD2 F:LEU295 4.5 41.6 1.0
N F:GLY341 4.5 44.9 1.0
C19 E:OWD501 4.6 47.9 1.0
CB F:ALA370 4.6 42.2 1.0
O F:VAL337 4.7 48.8 1.0
OH E:TYR141 4.9 50.4 1.0
O F:ASN296 4.9 36.0 1.0
C F:GLY341 4.9 45.3 1.0
CA F:ALA300 5.0 38.1 1.0

Chlorine binding site 6 out of 8 in 6prw

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Chlorine binding site 6 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl501

b:42.4
occ:1.00
 CL16 F:OWD501 0.0 42.4 1.0
C15 F:OWD501 1.8 34.0 1.0
C14 F:OWD501 2.7 35.9 1.0
C17 F:OWD501 2.8 31.1 1.0
CA E:GLY341 3.4 28.5 1.0
CB E:ALA300 3.6 27.1 1.0
CD1 E:LEU295 3.6 35.8 1.0
CB E:LEU295 4.0 34.1 1.0
C13 F:OWD501 4.1 38.2 1.0
C18 F:OWD501 4.1 37.3 1.0
CD2 E:LEU344 4.1 24.4 1.0
CG E:LEU295 4.2 26.8 1.0
N E:GLY341 4.3 34.0 1.0
CD2 E:LEU295 4.4 39.5 1.0
C E:GLY341 4.5 32.8 1.0
O E:GLY341 4.5 30.1 1.0
CA E:ALA300 4.5 30.4 1.0
C19 F:OWD501 4.6 38.8 1.0
O E:VAL337 4.7 38.2 1.0
CB E:ALA370 4.7 31.2 1.0
CG2 E:VAL337 4.7 32.9 1.0
CB E:LEU344 4.9 24.5 1.0
O E:ASN296 4.9 35.6 1.0

Chlorine binding site 7 out of 8 in 6prw

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Chlorine binding site 7 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl501

b:40.4
occ:1.00
 CL16 G:OWD501 0.0 40.4 1.0
C15 G:OWD501 1.8 39.5 1.0
C14 G:OWD501 2.7 32.2 1.0
C17 G:OWD501 2.8 34.9 1.0
CA H:GLY341 3.6 32.7 1.0
CB H:ALA300 3.7 38.2 1.0
CD1 H:LEU295 3.7 42.0 1.0
CB H:LEU295 4.0 39.6 1.0
C13 G:OWD501 4.0 40.2 1.0
C18 G:OWD501 4.0 36.1 1.0
CG H:LEU295 4.3 35.6 1.0
CD2 H:LEU344 4.4 33.7 1.0
N H:GLY341 4.5 37.7 1.0
CB H:ALA370 4.5 38.9 1.0
C19 G:OWD501 4.6 39.5 1.0
CD2 H:LEU295 4.6 31.0 1.0
CG2 H:VAL337 4.6 39.5 1.0
C H:GLY341 4.6 40.6 1.0
O H:VAL337 4.7 48.7 1.0
O H:GLY341 4.7 34.9 1.0
CA H:ALA300 4.7 36.1 1.0
CB H:LEU344 4.8 27.0 1.0
O H:ASN296 4.9 38.5 1.0

Chlorine binding site 8 out of 8 in 6prw

Go back to Chlorine Binding Sites List in 6prw
Chlorine binding site 8 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Derivative From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl501

b:47.2
occ:1.00
 CL16 H:OWD501 0.0 47.2 1.0
C15 H:OWD501 1.8 40.9 1.0
C14 H:OWD501 2.8 37.4 1.0
C17 H:OWD501 2.8 44.6 1.0
CA G:GLY341 3.6 36.6 1.0
CB G:ALA300 3.8 31.8 1.0
CB G:LEU295 3.9 29.8 1.0
CD1 G:LEU295 4.0 30.9 1.0
C13 H:OWD501 4.1 41.3 1.0
C18 H:OWD501 4.1 42.7 1.0
CD2 G:LEU295 4.2 39.7 1.0
CG G:LEU295 4.2 32.8 1.0
CD2 G:LEU344 4.3 30.1 1.0
CG2 G:VAL337 4.4 36.3 1.0
N G:GLY341 4.5 40.6 1.0
C19 H:OWD501 4.6 44.5 1.0
O G:VAL337 4.6 42.3 1.0
CB G:ALA370 4.6 33.2 1.0
C G:GLY341 4.7 37.6 1.0
O G:GLY341 4.8 33.7 1.0
CA G:ALA300 4.8 33.6 1.0
O G:ASN296 4.9 37.6 1.0

Reference:

M.C.M.Reddy, Z.Nian, J.C.Sacchettini. Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Quizalofop-P Deverivative From Mycobacterium Tuberculosis To Be Published.
Page generated: Mon Jul 29 13:34:09 2024

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