Atomistry » Chlorine » PDB 6ttg-6u4i » 6tzv
Atomistry »
  Chlorine »
    PDB 6ttg-6u4i »
      6tzv »

Chlorine in PDB 6tzv: Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Phenyl-Cyclodiaone From Mycobacterium Tuberculosis

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

All present enzymatic activity of Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Phenyl-Cyclodiaone 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 Phenyl-Cyclodiaone From Mycobacterium Tuberculosis, PDB code: 6tzv was solved by M.C.M.Reddy, N.Zhou, J.Sacchettini, Tb Structural Genomics Consortium(Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.76 / 2.39
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 102.345, 153.069, 150.184, 90.00, 90.08, 90.00
R / Rfree (%) 16.6 / 20.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Phenyl-Cyclodiaone From Mycobacterium Tuberculosis (pdb code 6tzv). 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 Phenyl-Cyclodiaone From Mycobacterium Tuberculosis, PDB code: 6tzv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6tzv

Go back to Chlorine Binding Sites List in 6tzv
Chlorine binding site 1 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Phenyl-Cyclodiaone 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 Phenyl-Cyclodiaone From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:50.6
occ:1.00
CL22 A:PKP501 0.0 50.6 1.0
C21 A:PKP501 1.8 38.0 1.0
C20 A:PKP501 2.7 33.8 1.0
C23 A:PKP501 2.8 35.7 1.0
CA B:GLY341 3.4 36.9 1.0
CB B:ALA300 3.5 36.1 1.0
CD1 B:LEU295 3.8 42.1 1.0
CD2 B:LEU344 3.8 34.0 1.0
C19 A:PKP501 4.0 39.9 1.0
C24 A:PKP501 4.0 38.5 1.0
CB B:ALA370 4.2 35.2 1.0
CB B:LEU295 4.2 45.8 1.0
O B:GLY341 4.2 41.2 1.0
C B:GLY341 4.3 38.8 1.0
CB B:LEU344 4.3 33.3 1.0
CD2 B:LEU295 4.3 43.3 1.0
CG B:LEU295 4.3 44.9 1.0
N B:GLY341 4.3 44.0 1.0
C18 A:PKP501 4.5 38.8 1.0
CA B:ALA300 4.6 38.0 1.0
CG B:LEU344 4.6 35.4 1.0
CG2 B:VAL337 4.8 45.5 1.0
O B:VAL337 4.9 46.1 1.0

Chlorine binding site 2 out of 8 in 6tzv

Go back to Chlorine Binding Sites List in 6tzv
Chlorine binding site 2 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Phenyl-Cyclodiaone 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 Phenyl-Cyclodiaone From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:43.5
occ:1.00
CL22 B:PKP501 0.0 43.5 1.0
C21 B:PKP501 1.7 30.2 1.0
C20 B:PKP501 2.7 28.8 1.0
C23 B:PKP501 2.7 27.6 1.0
CB A:ALA300 3.5 27.9 1.0
CA A:GLY341 3.5 28.3 1.0
CD1 A:LEU295 3.6 28.1 1.0
CD2 A:LEU344 3.9 21.3 1.0
C19 B:PKP501 4.0 32.2 1.0
CB A:LEU295 4.0 27.9 1.0
C24 B:PKP501 4.0 28.5 1.0
CD2 A:LEU295 4.1 29.6 1.0
CG A:LEU295 4.1 34.1 1.0
CA A:ALA300 4.4 30.5 1.0
CB A:ALA370 4.4 25.4 1.0
N A:GLY341 4.4 26.6 1.0
C18 B:PKP501 4.5 31.4 1.0
C A:GLY341 4.5 31.4 1.0
O A:GLY341 4.5 30.4 1.0
CB A:LEU344 4.7 28.0 1.0
CG2 A:VAL337 4.8 30.2 1.0
CG A:LEU344 4.9 26.3 1.0
O A:VAL337 4.9 31.9 1.0
O A:ASN296 5.0 28.7 1.0

Chlorine binding site 3 out of 8 in 6tzv

Go back to Chlorine Binding Sites List in 6tzv
Chlorine binding site 3 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Phenyl-Cyclodiaone 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 Phenyl-Cyclodiaone From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:42.5
occ:1.00
CL22 C:PKP501 0.0 42.5 1.0
C21 C:PKP501 1.7 37.1 1.0
C20 C:PKP501 2.7 37.5 1.0
C23 C:PKP501 2.7 31.0 1.0
CB D:ALA300 3.5 33.6 1.0
CA D:GLY341 3.5 34.5 1.0
CD2 D:LEU344 3.8 32.3 1.0
CD1 D:LEU295 3.8 35.7 1.0
C19 C:PKP501 3.9 39.7 1.0
C24 C:PKP501 4.0 36.4 1.0
CB D:LEU295 4.2 36.0 1.0
CB D:ALA370 4.3 33.8 1.0
O D:GLY341 4.3 34.0 1.0
CB D:LEU344 4.4 27.3 1.0
CG D:LEU295 4.4 36.4 1.0
C D:GLY341 4.4 35.8 1.0
CD2 D:LEU295 4.4 33.3 1.0
C18 C:PKP501 4.4 38.9 1.0
N D:GLY341 4.5 32.4 1.0
CA D:ALA300 4.5 38.1 1.0
CG D:LEU344 4.7 32.1 1.0
CG2 D:VAL337 4.8 36.9 1.0
O D:VAL337 4.9 43.0 1.0

Chlorine binding site 4 out of 8 in 6tzv

Go back to Chlorine Binding Sites List in 6tzv
Chlorine binding site 4 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Phenyl-Cyclodiaone 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 Phenyl-Cyclodiaone From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:51.3
occ:1.00
CL22 D:PKP501 0.0 51.3 1.0
C21 D:PKP501 1.7 33.5 1.0
C20 D:PKP501 2.7 36.6 1.0
C23 D:PKP501 2.7 32.7 1.0
CB C:ALA300 3.5 34.9 1.0
CA C:GLY341 3.5 34.8 1.0
CD1 C:LEU295 3.8 37.6 1.0
CD2 C:LEU344 3.8 29.3 1.0
C19 D:PKP501 4.0 39.3 1.0
C24 D:PKP501 4.0 32.5 1.0
CD2 C:LEU295 4.1 32.9 1.0
CB C:LEU295 4.2 33.0 1.0
CG C:LEU295 4.2 35.2 1.0
CB C:ALA370 4.2 30.0 1.0
O C:GLY341 4.3 34.6 1.0
CB C:LEU344 4.4 30.6 1.0
CA C:ALA300 4.4 34.5 1.0
C C:GLY341 4.4 36.4 1.0
C18 D:PKP501 4.5 34.3 1.0
N C:GLY341 4.5 36.9 1.0
CG C:LEU344 4.6 32.0 1.0

Chlorine binding site 5 out of 8 in 6tzv

Go back to Chlorine Binding Sites List in 6tzv
Chlorine binding site 5 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Phenyl-Cyclodiaone 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 Phenyl-Cyclodiaone From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl501

b:51.3
occ:1.00
CL22 E:PKP501 0.0 51.3 1.0
C21 E:PKP501 1.8 37.3 1.0
C20 E:PKP501 2.7 37.6 1.0
C23 E:PKP501 2.7 33.9 1.0
CA F:GLY341 3.4 34.2 1.0
CB F:ALA300 3.5 33.8 1.0
CD1 F:LEU295 3.6 46.8 1.0
CD2 F:LEU344 3.8 34.9 1.0
C19 E:PKP501 4.0 40.5 1.0
C24 E:PKP501 4.0 37.9 1.0
CB F:ALA370 4.2 40.6 1.0
O F:GLY341 4.2 39.0 1.0
C F:GLY341 4.2 37.8 1.0
CB F:LEU295 4.3 43.0 1.0
CB F:LEU344 4.3 33.2 1.0
CG F:LEU295 4.3 47.5 1.0
N F:GLY341 4.4 38.5 1.0
C18 E:PKP501 4.5 39.0 1.0
CD2 F:LEU295 4.5 49.3 1.0
CA F:ALA300 4.5 36.3 1.0
CG F:LEU344 4.6 36.4 1.0
CG2 F:VAL337 5.0 47.4 1.0
O F:VAL337 5.0 44.1 1.0

Chlorine binding site 6 out of 8 in 6tzv

Go back to Chlorine Binding Sites List in 6tzv
Chlorine binding site 6 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Phenyl-Cyclodiaone 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 Phenyl-Cyclodiaone From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl501

b:40.1
occ:1.00
CL22 F:PKP501 0.0 40.1 1.0
C21 F:PKP501 1.8 30.1 1.0
C20 F:PKP501 2.7 31.4 1.0
C23 F:PKP501 2.8 28.1 1.0
CB E:ALA300 3.5 26.8 1.0
CA E:GLY341 3.5 29.1 1.0
CD1 E:LEU295 3.6 27.3 1.0
CD2 E:LEU344 3.9 19.7 1.0
C19 F:PKP501 4.0 31.5 1.0
CB E:LEU295 4.0 27.2 1.0
C24 F:PKP501 4.0 28.8 1.0
CG E:LEU295 4.1 34.0 1.0
CD2 E:LEU295 4.1 31.9 1.0
CA E:ALA300 4.4 30.0 1.0
CB E:ALA370 4.4 24.3 1.0
N E:GLY341 4.5 26.9 1.0
C18 F:PKP501 4.5 29.9 1.0
C E:GLY341 4.6 31.6 1.0
O E:GLY341 4.6 31.2 1.0
CB E:LEU344 4.7 25.4 1.0
CG2 E:VAL337 4.8 28.2 1.0
CG E:LEU344 4.9 28.0 1.0
O E:VAL337 5.0 33.8 1.0
O E:ASN296 5.0 28.4 1.0

Chlorine binding site 7 out of 8 in 6tzv

Go back to Chlorine Binding Sites List in 6tzv
Chlorine binding site 7 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Phenyl-Cyclodiaone 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 Phenyl-Cyclodiaone From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl501

b:41.6
occ:1.00
CL22 G:PKP501 0.0 41.6 1.0
C21 G:PKP501 1.7 36.0 1.0
C20 G:PKP501 2.7 35.9 1.0
C23 G:PKP501 2.7 30.9 1.0
CA H:GLY341 3.5 35.4 1.0
CB H:ALA300 3.5 36.0 1.0
CD1 H:LEU295 3.8 35.4 1.0
CD2 H:LEU344 3.8 31.0 1.0
C19 G:PKP501 4.0 39.0 1.0
C24 G:PKP501 4.0 36.2 1.0
CD2 H:LEU295 4.2 35.6 1.0
CB H:ALA370 4.2 33.4 1.0
CB H:LEU295 4.2 37.8 1.0
CG H:LEU295 4.3 38.0 1.0
O H:GLY341 4.3 34.0 1.0
CB H:LEU344 4.3 28.7 1.0
C H:GLY341 4.4 35.2 1.0
N H:GLY341 4.5 35.9 1.0
C18 G:PKP501 4.5 39.4 1.0
CA H:ALA300 4.5 39.1 1.0
CG H:LEU344 4.6 32.1 1.0
CG2 H:VAL337 4.9 41.3 1.0
O H:VAL337 4.9 42.8 1.0

Chlorine binding site 8 out of 8 in 6tzv

Go back to Chlorine Binding Sites List in 6tzv
Chlorine binding site 8 out of 8 in the Crystal Structure of the Carboxyltransferase Subunit of Acc (ACCD6) in Complex with Inhibitor Phenyl-Cyclodiaone 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 Phenyl-Cyclodiaone From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl501

b:52.8
occ:1.00
CL22 H:PKP501 0.0 52.8 1.0
C21 H:PKP501 1.8 33.6 1.0
C20 H:PKP501 2.7 35.9 1.0
C23 H:PKP501 2.7 34.8 1.0
CB G:ALA300 3.4 32.8 1.0
CA G:GLY341 3.4 36.8 1.0
CD2 G:LEU344 3.7 30.5 1.0
CD1 G:LEU295 3.8 38.2 1.0
C19 H:PKP501 4.0 36.1 1.0
C24 H:PKP501 4.0 33.9 1.0
CD2 G:LEU295 4.1 35.9 1.0
CB G:ALA370 4.2 30.1 1.0
CB G:LEU295 4.3 35.4 1.0
CG G:LEU295 4.3 39.5 1.0
O G:GLY341 4.3 35.8 1.0
CB G:LEU344 4.3 29.2 1.0
C G:GLY341 4.4 37.0 1.0
CA G:ALA300 4.4 34.6 1.0
N G:GLY341 4.4 35.8 1.0
C18 H:PKP501 4.5 34.0 1.0
CG G:LEU344 4.6 32.4 1.0

Reference:

M.C.M.Reddy, N.Zhou, J.Sacchettini. Novel Herbicidal Derivatives That Inhibit Carboxyltransferase Subunit of the Acetyl-Coa Carboxylase in Mycobacterium Tuberculosis To Be Published.
Page generated: Mon Jul 29 15:39:22 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy