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Chlorine in PDB 6x7q: Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa

Enzymatic activity of Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa

All present enzymatic activity of Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa:
2.3.1.28;

Protein crystallography data

The structure of Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa, PDB code: 6x7q was solved by A.B.Benjamin, L.M.Stunkard, J.Ling, J.N.Nice, J.R.Lohman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.33 / 1.68
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 106.918, 106.918, 126.596, 90, 90, 90
R / Rfree (%) 15.7 / 20.1

Other elements in 6x7q:

The structure of Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa (pdb code 6x7q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa, PDB code: 6x7q:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6x7q

Go back to Chlorine Binding Sites List in 6x7q
Chlorine binding site 1 out of 6 in the Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:58.0
occ:1.00
 CL1 A:CLM304 0.0 58.0 1.0
C1 A:CLM304 1.8 40.4 1.0
C2 A:CLM304 2.7 28.1 1.0
CL2 A:CLM304 2.9 39.7 1.0
O2 A:CLM304 2.9 26.5 1.0
O C:HOH569 3.5 28.4 1.0
ND2 C:ASN140 3.8 24.8 1.0
N2 A:CLM304 3.9 25.0 1.0
OE1 C:GLN86 3.9 23.0 1.0
C8 A:CLM304 4.1 28.0 1.0
OD1 C:ASN140 4.2 22.6 1.0
C7 A:CLM304 4.2 23.5 1.0
CG C:ASN140 4.2 22.1 1.0
CD2 A:LEU24 4.3 23.6 1.0
CZ C:PHE129 4.6 17.2 1.0
C9 A:CLM304 4.6 27.7 1.0
C6 A:CLM304 4.8 22.8 1.0
CE1 C:PHE129 4.8 16.6 1.0
CZ A:PHE19 4.8 17.1 1.0
CE2 A:PHE19 4.9 16.4 1.0
O9B A:CLM304 4.9 39.3 1.0

Chlorine binding site 2 out of 6 in 6x7q

Go back to Chlorine Binding Sites List in 6x7q
Chlorine binding site 2 out of 6 in the Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:39.7
occ:1.00
 CL2 A:CLM304 0.0 39.7 1.0
C1 A:CLM304 1.8 40.4 1.0
C2 A:CLM304 2.6 28.1 1.0
CL1 A:CLM304 2.9 58.0 1.0
O2 A:CLM304 3.0 26.5 1.0
N2 A:CLM304 3.4 25.0 1.0
CB C:ALA99 3.6 13.3 1.0
CE1 C:PHE129 3.7 16.6 1.0
CZ C:PHE129 3.8 17.2 1.0
OE1 C:GLN86 4.0 23.0 1.0
OH A:TYR20 4.1 20.4 1.0
O C:HOH412 4.4 40.9 1.0
ND2 C:ASN140 4.5 24.8 1.0
CD C:GLN86 4.6 19.4 1.0
CD1 C:LEU128 4.7 16.9 1.0
C3 A:CLM304 4.7 23.5 1.0
CE2 C:PHE97 4.7 14.2 1.0
CD1 C:PHE129 4.8 17.0 1.0
CE2 C:PHE129 4.9 18.2 1.0
CA C:ALA99 5.0 12.8 1.0
O C:HOH416 5.0 21.6 1.0

Chlorine binding site 3 out of 6 in 6x7q

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Chlorine binding site 3 out of 6 in the Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:72.5
occ:1.00
 CL1 B:CLM301 0.0 72.5 1.0
C1 B:CLM301 1.8 45.0 1.0
C2 B:CLM301 2.6 31.7 1.0
O2 B:CLM301 2.7 24.8 1.0
CL2 B:CLM301 2.9 53.1 1.0
O A:HOH593 3.6 42.9 1.0
N2 B:CLM301 3.9 25.7 1.0
CD1 B:LEU24 4.1 15.4 0.5
ND2 A:ASN140 4.2 28.1 1.0
C10 B:CLM301 4.2 28.8 1.0
CD2 B:LEU24 4.2 19.3 0.5
OE1 A:GLN86 4.2 28.7 1.0
C11 B:CLM301 4.3 26.7 1.0
C8 A:PG4303 4.3 48.8 1.0
OD1 A:ASN140 4.4 28.8 1.0
CG A:ASN140 4.5 25.5 1.0
CZ B:PHE19 4.5 16.9 1.0
C9 B:CLM301 4.5 28.6 1.0
CZ A:PHE129 4.6 21.2 1.0
CE2 B:PHE19 4.6 16.9 1.0
O5 A:PG4303 4.8 47.2 1.0
C6 B:CLM301 4.8 24.7 1.0
CE1 A:PHE129 4.8 19.9 1.0
O9B B:CLM301 4.9 37.9 1.0
C3 B:CLM301 5.0 26.2 1.0

Chlorine binding site 4 out of 6 in 6x7q

Go back to Chlorine Binding Sites List in 6x7q
Chlorine binding site 4 out of 6 in the Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:53.1
occ:1.00
 CL2 B:CLM301 0.0 53.1 1.0
C1 B:CLM301 1.7 45.0 1.0
C2 B:CLM301 2.6 31.7 1.0
CL1 B:CLM301 2.9 72.5 1.0
O2 B:CLM301 3.1 24.8 1.0
N2 B:CLM301 3.3 25.7 1.0
CB A:ALA99 3.5 15.6 1.0
CE1 A:PHE129 3.6 19.9 1.0
OE1 A:GLN86 3.7 28.7 1.0
CZ A:PHE129 3.8 21.2 1.0
O A:HOH429 4.2 29.9 1.0
ND2 A:ASN140 4.3 28.1 1.0
OH B:TYR20 4.3 19.6 1.0
CD A:GLN86 4.5 24.8 1.0
C3 B:CLM301 4.6 26.2 1.0
CD1 A:PHE129 4.7 19.8 1.0
O A:HOH549 4.8 21.6 1.0
CG2 A:THR88 4.9 18.5 1.0
CA A:ALA99 4.9 15.1 1.0
CE2 A:PHE97 5.0 14.9 1.0

Chlorine binding site 5 out of 6 in 6x7q

Go back to Chlorine Binding Sites List in 6x7q
Chlorine binding site 5 out of 6 in the Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:60.8
occ:1.00
 CL1 C:CLM301 0.0 60.8 1.0
C1 C:CLM301 1.8 42.2 1.0
C2 C:CLM301 2.6 34.0 1.0
O2 C:CLM301 2.8 24.2 1.0
CL2 C:CLM301 2.9 45.5 1.0
O B:HOH595 3.5 27.5 1.0
ND2 B:ASN140 3.6 26.0 1.0
N2 C:CLM301 3.7 27.4 1.0
C8 C:CLM301 3.8 26.7 1.0
OE1 B:GLN86 3.9 25.4 1.0
OD1 B:ASN140 3.9 25.1 1.0
C7 C:CLM301 4.0 25.1 1.0
CG B:ASN140 4.0 25.2 1.0
CD1 C:LEU24 4.1 15.6 0.5
C9 C:CLM301 4.3 27.9 1.0
CD2 C:LEU24 4.3 18.1 0.5
C6 C:CLM301 4.5 26.2 1.0
CZ C:PHE19 4.7 19.6 1.0
CE2 C:PHE19 4.7 18.5 1.0
O9B C:CLM301 4.8 33.6 1.0
C10 C:CLM301 4.8 27.5 1.0
C3 C:CLM301 4.9 26.9 1.0
N9 C:CLM301 4.9 32.6 1.0
C11 C:CLM301 4.9 27.7 1.0
CZ B:PHE129 5.0 19.8 1.0

Chlorine binding site 6 out of 6 in 6x7q

Go back to Chlorine Binding Sites List in 6x7q
Chlorine binding site 6 out of 6 in the Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:45.5
occ:1.00
 CL2 C:CLM301 0.0 45.5 1.0
C1 C:CLM301 1.8 42.2 1.0
C2 C:CLM301 2.6 34.0 1.0
CL1 C:CLM301 2.9 60.8 1.0
O2 C:CLM301 3.0 24.2 1.0
N2 C:CLM301 3.4 27.4 1.0
CB B:ALA99 3.6 16.1 1.0
CE1 B:PHE129 3.7 18.8 1.0
OE1 B:GLN86 3.7 25.4 1.0
CZ B:PHE129 3.8 19.8 1.0
OH C:TYR20 4.2 23.3 1.0
O B:HOH471 4.4 33.1 1.0
CD B:GLN86 4.4 19.2 1.0
ND2 B:ASN140 4.4 26.0 1.0
C3 C:CLM301 4.7 26.9 1.0
CD1 B:PHE129 4.8 18.9 1.0
CD1 B:LEU128 4.8 19.4 1.0
CE2 C:PHE19 4.8 18.5 1.0
CA B:ALA99 4.9 15.8 1.0
CE2 B:PHE97 4.9 14.4 1.0
CE2 B:PHE129 4.9 19.1 1.0
O C:HOH577 5.0 20.4 1.0

Reference:

A.B.Benjamin, L.M.Stunkard, J.Ling, J.N.Nice, J.R.Lohman. Chloramphenicol Acetyltransferase Type III in Complex with Chloramphenicol and Acetyl-Oxa(Dethia)-Coa To Be Published.
Page generated: Mon Jul 29 17:06:15 2024

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