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Zinc in PDB 8szt: Structure of KDAC1 From Acinetobacter Baumannii

Protein crystallography data

The structure of Structure of KDAC1 From Acinetobacter Baumannii, PDB code: 8szt was solved by P.R.Watson, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.51 / 2.50
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 113.949, 181.689, 155.33, 90, 90, 90
R / Rfree (%) 20.1 / 26.2

Other elements in 8szt:

The structure of Structure of KDAC1 From Acinetobacter Baumannii also contains other interesting chemical elements:

Potassium (K) 8 atoms
Chlorine (Cl) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of KDAC1 From Acinetobacter Baumannii (pdb code 8szt). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of KDAC1 From Acinetobacter Baumannii, PDB code: 8szt:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 8szt

Go back to Zinc Binding Sites List in 8szt
Zinc binding site 1 out of 4 in the Structure of KDAC1 From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of KDAC1 From Acinetobacter Baumannii within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:70.6
occ:1.00
ND1 B:HIS183 2.4 21.9 1.0
OD1 B:ASP181 2.7 22.1 1.0
OD2 B:ASP269 2.8 16.4 1.0
CE1 B:HIS183 3.2 22.5 1.0
OD2 B:ASP181 3.3 29.2 1.0
CG B:ASP181 3.4 23.4 1.0
CG B:HIS183 3.4 18.7 1.0
CB B:HIS183 3.7 14.6 1.0
NE2 B:HIS144 3.8 19.8 1.0
NE2 B:HIS143 3.9 21.8 1.0
OH B:TYR313 3.9 26.8 1.0
CG B:ASP269 4.0 17.9 1.0
CE2 B:TYR313 4.2 18.4 1.0
CA B:GLY311 4.4 16.7 1.0
NE2 B:HIS183 4.4 19.4 1.0
CD2 B:HIS183 4.5 21.4 1.0
CD2 B:HIS144 4.5 20.8 1.0
CZ B:TYR313 4.5 21.9 1.0
N B:HIS183 4.6 14.7 1.0
CE1 B:HIS143 4.6 21.2 1.0
OD1 B:ASP269 4.7 16.2 1.0
CA B:HIS183 4.8 18.4 1.0
CE1 B:HIS144 4.8 18.9 1.0
N B:GLY311 4.8 12.9 1.0
CB B:ASP181 4.9 17.7 1.0
CD2 B:HIS143 5.0 20.1 1.0

Zinc binding site 2 out of 4 in 8szt

Go back to Zinc Binding Sites List in 8szt
Zinc binding site 2 out of 4 in the Structure of KDAC1 From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of KDAC1 From Acinetobacter Baumannii within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:74.8
occ:1.00
ND1 A:HIS183 2.4 18.2 1.0
OD1 A:ASP181 2.7 18.1 1.0
OD2 A:ASP269 3.0 19.3 1.0
CE1 A:HIS183 3.2 16.0 1.0
CG A:HIS183 3.4 22.7 1.0
OD2 A:ASP181 3.4 18.3 1.0
CG A:ASP181 3.5 18.1 1.0
OH A:TYR313 3.7 32.9 1.0
CB A:HIS183 3.8 14.7 1.0
NE2 A:HIS144 3.9 18.0 1.0
NE2 A:HIS143 3.9 25.9 1.0
CG A:ASP269 4.2 18.9 1.0
CE2 A:TYR313 4.3 23.8 1.0
NE2 A:HIS183 4.4 16.3 1.0
CA A:GLY311 4.4 17.3 1.0
CE1 A:HIS143 4.4 23.5 1.0
CD2 A:HIS183 4.5 28.6 1.0
CZ A:TYR313 4.5 20.3 1.0
CD2 A:HIS144 4.5 15.6 1.0
N A:HIS183 4.8 17.6 1.0
OD1 A:ASP269 4.9 16.3 1.0
CB A:ASP181 4.9 18.8 1.0
CA A:HIS183 4.9 16.5 1.0
CE1 A:HIS144 4.9 18.1 1.0
N A:GLY311 4.9 20.4 1.0

Zinc binding site 3 out of 4 in 8szt

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Zinc binding site 3 out of 4 in the Structure of KDAC1 From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of KDAC1 From Acinetobacter Baumannii within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn401

b:65.3
occ:1.00
OD2 C:ASP269 2.3 20.6 1.0
ND1 C:HIS183 2.3 20.4 1.0
OD1 C:ASP181 2.4 17.0 1.0
CG C:ASP181 3.1 18.8 1.0
OD2 C:ASP181 3.1 20.3 1.0
CE1 C:HIS183 3.2 20.0 1.0
CG C:HIS183 3.4 22.6 1.0
CG C:ASP269 3.5 19.8 1.0
CB C:HIS183 3.8 18.3 1.0
NE2 C:HIS143 4.0 19.7 1.0
OD1 C:ASP269 4.1 17.3 1.0
OH C:TYR313 4.2 27.0 1.0
N C:HIS183 4.3 15.0 1.0
NE2 C:HIS144 4.3 19.6 1.0
NE2 C:HIS183 4.3 17.6 1.0
CA C:GLY311 4.4 17.1 1.0
CE2 C:TYR313 4.5 21.3 1.0
CD2 C:HIS183 4.5 20.3 1.0
CE1 C:HIS143 4.5 18.1 1.0
CB C:ASP181 4.5 18.4 1.0
CB C:ASP269 4.5 16.6 1.0
CA C:HIS183 4.7 14.2 1.0
CG1 C:VAL182 4.7 12.4 1.0
N C:GLY311 4.7 18.3 1.0
N C:VAL182 4.8 16.9 1.0
CZ C:TYR313 4.8 25.9 1.0

Zinc binding site 4 out of 4 in 8szt

Go back to Zinc Binding Sites List in 8szt
Zinc binding site 4 out of 4 in the Structure of KDAC1 From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of KDAC1 From Acinetobacter Baumannii within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn401

b:80.2
occ:1.00
ND1 D:HIS183 2.3 21.1 1.0
OD2 D:ASP269 2.6 17.4 1.0
OD1 D:ASP181 2.7 19.6 1.0
CE1 D:HIS183 3.2 20.6 1.0
OD2 D:ASP181 3.3 19.1 1.0
CG D:HIS183 3.3 20.9 1.0
CG D:ASP181 3.4 18.4 1.0
CB D:HIS183 3.6 15.6 1.0
CG D:ASP269 3.8 13.0 1.0
NE2 D:HIS143 3.8 14.2 1.0
OH D:TYR313 3.8 30.7 1.0
NE2 D:HIS144 4.0 20.1 1.0
CE2 D:TYR313 4.2 22.1 1.0
OD1 D:ASP269 4.3 13.6 1.0
CE1 D:HIS143 4.3 17.4 1.0
CA D:GLY311 4.4 18.5 1.0
NE2 D:HIS183 4.4 22.3 1.0
CD2 D:HIS183 4.4 23.0 1.0
CZ D:TYR313 4.5 21.6 1.0
N D:HIS183 4.5 14.2 1.0
CA D:HIS183 4.7 13.3 1.0
CD2 D:HIS144 4.8 17.7 1.0
N D:GLY311 4.8 20.2 1.0
CB D:ASP181 4.8 13.2 1.0
CB D:ASP269 4.9 12.4 1.0

Reference:

P.R.Watson, D.W.Christianson. Structure and Function of KDAC1, A Class II Deacetylase From the Multidrug-Resistant Pathogen Acinetobacter Baumannii. Biochemistry 2023.
ISSN: ISSN 0006-2960
PubMed: 37624144
DOI: 10.1021/ACS.BIOCHEM.3C00288
Page generated: Fri Aug 22 13:32:51 2025

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