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Zinc in PDB 2o53: Crystal Structure of Apo-Aspartoacylase From Human Brain

Enzymatic activity of Crystal Structure of Apo-Aspartoacylase From Human Brain

All present enzymatic activity of Crystal Structure of Apo-Aspartoacylase From Human Brain:
3.5.1.15;

Protein crystallography data

The structure of Crystal Structure of Apo-Aspartoacylase From Human Brain, PDB code: 2o53 was solved by J.Le Coq, A.Pavlovsky, R.Sanishvili, R.E.Viola, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.70
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 143.794, 143.794, 104.076, 90.00, 90.00, 90.00
R / Rfree (%) 21.6 / 26.9

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Apo-Aspartoacylase From Human Brain (pdb code 2o53). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Apo-Aspartoacylase From Human Brain, PDB code: 2o53:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2o53

Go back to Zinc Binding Sites List in 2o53
Zinc binding site 1 out of 2 in the Crystal Structure of Apo-Aspartoacylase From Human Brain


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Apo-Aspartoacylase From Human Brain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn314

b:59.3
occ:1.00
ND1 A:HIS21 2.1 40.2 1.0
O4 A:PO4315 2.3 52.9 0.5
OE1 A:GLU24 2.3 45.1 1.0
ND1 A:HIS116 2.4 40.6 1.0
O3 A:PO4315 2.7 53.1 0.5
OE2 A:GLU24 2.7 44.5 1.0
P A:PO4315 2.7 53.9 0.5
CD A:GLU24 2.8 43.9 1.0
CE1 A:HIS21 2.8 40.5 1.0
O2 A:PO4315 3.0 53.0 0.5
CG A:HIS116 3.2 38.5 1.0
CE1 A:HIS116 3.3 38.9 1.0
CG A:HIS21 3.3 40.9 1.0
CB A:HIS116 3.5 37.6 1.0
CB A:HIS21 3.9 40.6 1.0
NE2 A:HIS21 4.0 39.9 1.0
O1 A:PO4315 4.2 53.8 0.5
CG A:GLU24 4.2 42.2 1.0
CA A:HIS116 4.2 37.5 1.0
CD2 A:HIS21 4.3 39.7 1.0
O A:ASN117 4.3 38.9 1.0
NH1 A:ARG63 4.3 39.6 1.0
CD2 A:HIS116 4.3 38.8 1.0
NE2 A:HIS116 4.3 40.0 1.0
O4 A:PO4316 4.4 48.4 0.5
N A:ASN117 4.4 38.3 1.0
OE2 A:GLU178 4.7 47.3 1.0
NH2 A:ARG63 4.7 38.4 1.0
C A:HIS116 4.9 38.0 1.0
CZ A:ARG63 4.9 38.9 1.0
CB A:GLU24 5.0 40.5 1.0

Zinc binding site 2 out of 2 in 2o53

Go back to Zinc Binding Sites List in 2o53
Zinc binding site 2 out of 2 in the Crystal Structure of Apo-Aspartoacylase From Human Brain


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Apo-Aspartoacylase From Human Brain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn314

b:56.2
occ:1.00
OE1 B:GLU24 2.1 40.0 1.0
ND1 B:HIS21 2.1 38.2 1.0
O1 B:PO4315 2.2 38.8 0.5
ND1 B:HIS116 2.2 35.6 1.0
P B:PO4315 2.7 41.8 0.5
CE1 B:HIS21 2.8 38.4 1.0
O3 B:PO4315 2.9 39.4 0.5
CD B:GLU24 2.9 39.0 1.0
O2 B:PO4315 2.9 43.2 0.5
OE2 B:GLU24 3.0 38.7 1.0
CE1 B:HIS116 3.1 35.4 1.0
CG B:HIS116 3.3 33.7 1.0
CG B:HIS21 3.3 37.3 1.0
CB B:HIS116 3.6 33.2 1.0
CB B:HIS21 3.9 35.6 1.0
NE2 B:HIS21 4.0 38.7 1.0
O4 B:PO4315 4.2 40.5 0.5
NH1 B:ARG63 4.2 35.0 1.0
CD2 B:HIS21 4.3 38.0 1.0
NE2 B:HIS116 4.3 36.2 1.0
CG B:GLU24 4.3 37.9 1.0
O B:ASN117 4.3 33.6 1.0
CD2 B:HIS116 4.4 35.4 1.0
CA B:HIS116 4.4 33.0 1.0
O1 B:PO4316 4.7 47.2 0.5
N B:ASN117 4.7 32.9 1.0
OE2 B:GLU178 5.0 46.6 1.0
NH2 B:ARG63 5.0 35.2 1.0
CZ B:ARG63 5.0 36.1 1.0
CB B:GLU24 5.0 37.9 1.0

Reference:

J.Le Coq, A.Pavlovsky, R.Malik, R.Sanishvili, C.Xu, R.E.Viola. Examination of the Mechanism of Human Brain Aspartoacylase Through the Binding of An Intermediate Analogue. Biochemistry V. 47 3484 2008.
ISSN: ISSN 0006-2960
PubMed: 18293939
DOI: 10.1021/BI702400X
Page generated: Thu Oct 17 02:27:44 2024

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