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Chlorine in PDB 4u10: Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans

Protein crystallography data

The structure of Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans, PDB code: 4u10 was solved by D.Varudharasu, R.Narayanan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.48 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.240, 67.100, 101.010, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 22

Other elements in 4u10:

The structure of Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans also contains other interesting chemical elements:

Zinc (Zn) 9 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans (pdb code 4u10). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans, PDB code: 4u10:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4u10

Go back to Chlorine Binding Sites List in 4u10
Chlorine binding site 1 out of 2 in the Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:16.7
occ:1.00
ZN A:ZN402 2.2 14.7 1.0
O A:HOH566 3.1 18.7 1.0
O A:HOH551 3.4 6.2 1.0
OD2 A:ASP98 3.4 12.6 1.0
NE2 A:HIS34 3.5 16.9 1.0
NH2 A:ARG271 3.6 13.7 1.0
CD1 A:LEU256 3.6 19.2 1.0
N A:GLY235 3.7 16.3 1.0
CE1 A:HIS34 3.8 15.8 1.0
CD2 A:LEU256 3.8 18.7 1.0
N A:TYR234 3.9 16.7 1.0
CA A:TYR234 3.9 16.4 1.0
CG A:LEU256 3.9 19.6 1.0
C A:TYR234 3.9 17.1 1.0
O A:HOH556 4.0 14.3 1.0
O A:TRP232 4.2 11.8 1.0
CA A:GLY235 4.4 16.1 1.0
CD1 A:LEU273 4.6 19.3 1.0
CG A:ASP98 4.7 14.4 1.0
O A:TYR234 4.7 16.6 1.0
CD2 A:HIS34 4.8 15.1 1.0
CZ A:ARG271 4.8 13.3 1.0
C A:PRO233 4.9 14.4 1.0

Chlorine binding site 2 out of 2 in 4u10

Go back to Chlorine Binding Sites List in 4u10
Chlorine binding site 2 out of 2 in the Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:17.1
occ:1.00
ZN B:ZN402 2.2 14.6 1.0
O B:HOH543 3.2 10.0 1.0
O B:HOH571 3.3 21.6 1.0
OD2 B:ASP98 3.4 13.8 1.0
NE2 B:HIS34 3.5 11.2 1.0
NH2 B:ARG271 3.5 14.9 1.0
N B:GLY235 3.6 17.1 1.0
N B:TYR234 3.6 16.7 1.0
CD1 B:LEU256 3.7 17.2 1.0
CA B:TYR234 3.7 15.6 1.0
C B:TYR234 3.8 16.0 1.0
CE1 B:HIS34 3.8 10.2 1.0
CD2 B:LEU256 3.9 17.2 1.0
CG B:LEU256 3.9 18.3 1.0
O B:HOH547 4.0 13.3 1.0
O B:TRP232 4.0 14.8 1.0
O B:HOH602 4.2 30.7 1.0
CA B:GLY235 4.4 18.8 1.0
O B:TYR234 4.6 14.3 1.0
C B:PRO233 4.6 16.2 1.0
CG B:ASP98 4.6 13.0 1.0
CD1 B:LEU273 4.7 17.5 1.0
CZ B:ARG271 4.8 14.8 1.0
CD2 B:HIS34 4.8 11.6 1.0

Reference:

D.Varudharsu, R.Narayanan. Probing the Structure and Mechanism of De-N-Acetylase From Aggregatibacter Actinomycetemcomitans To Be Published.
Page generated: Sat Dec 12 11:14:21 2020

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