Zinc in PDB 2o4h: Human Brain Aspartoacylase Complex with Intermediate Analog (N- Phosphonomethyl-L-Aspartate)

All present enzymatic activity of Human Brain Aspartoacylase Complex with Intermediate Analog (N- Phosphonomethyl-L-Aspartate):
3.5.1.15;

The structure of Human Brain Aspartoacylase Complex with Intermediate Analog (N- Phosphonomethyl-L-Aspartate), PDB code: 2o4h 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)	46.47 / 2.70
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	143.081, 143.081, 104.604, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 27.1

The binding sites of Zinc atom in the Human Brain Aspartoacylase Complex with Intermediate Analog (N- Phosphonomethyl-L-Aspartate) (pdb code 2o4h). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Human Brain Aspartoacylase Complex with Intermediate Analog (N- Phosphonomethyl-L-Aspartate), PDB code: 2o4h:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human Brain Aspartoacylase Complex with Intermediate Analog (N- Phosphonomethyl-L-Aspartate)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Brain Aspartoacylase Complex with Intermediate Analog (N- Phosphonomethyl-L-Aspartate) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:87.0 occ:1.00 OE1 A:GLU24 2.1 56.3 1.0 ND1 A:HIS21 2.2 48.0 1.0 ND1 A:HIS116 2.3 55.2 1.0 OAD A:AS9501 2.4 68.0 1.0 OAG A:AS9501 2.5 67.7 1.0 OE2 A:GLU24 2.6 54.9 1.0 CD A:GLU24 2.7 54.7 1.0 PAM A:AS9501 3.0 68.3 1.0 CE1 A:HIS21 3.0 47.2 1.0 CE1 A:HIS116 3.2 56.2 1.0 CG A:HIS116 3.2 52.5 1.0 CG A:HIS21 3.3 48.6 1.0 CB A:HIS116 3.5 50.1 1.0 O A:HOH515 3.6 45.6 1.0 CB A:HIS21 3.8 49.0 1.0 NH1 A:ARG63 4.1 48.4 1.0 CA A:HIS116 4.2 50.1 1.0 CG A:GLU24 4.2 53.6 1.0 N A:AS9501 4.2 68.9 1.0 NE2 A:HIS21 4.2 46.3 1.0 CA A:AS9501 4.2 69.6 1.0 NE2 A:HIS116 4.3 57.0 1.0 O A:ASN117 4.3 48.9 1.0 CAA A:AS9501 4.3 68.0 1.0 CD2 A:HIS116 4.4 55.9 1.0 CD2 A:HIS21 4.4 48.1 1.0 N A:ASN117 4.5 49.3 1.0 OXT A:AS9501 4.8 70.6 1.0 C A:AS9501 4.8 70.1 1.0 CB A:GLU24 4.9 52.2 1.0 C A:HIS116 4.9 50.0 1.0 N A:HIS21 4.9 49.2 1.0 CZ A:ARG63 5.0 48.4 1.0 NH2 A:ARG63 5.0 47.4 1.0

Zinc binding site 2 out of 2 in the Human Brain Aspartoacylase Complex with Intermediate Analog (N- Phosphonomethyl-L-Aspartate)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Brain Aspartoacylase Complex with Intermediate Analog (N- Phosphonomethyl-L-Aspartate) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:78.1 occ:1.00 OE1 B:GLU24 2.0 53.5 1.0 ND1 B:HIS21 2.0 48.8 1.0 OAG B:AS9501 2.2 70.6 1.0 ND1 B:HIS116 2.4 50.0 1.0 CD B:GLU24 2.8 51.0 1.0 CE1 B:HIS21 2.9 46.9 1.0 OE2 B:GLU24 3.0 51.9 1.0 OAD B:AS9501 3.0 71.5 1.0 CG B:HIS21 3.1 48.0 1.0 PAM B:AS9501 3.1 70.7 1.0 CG B:HIS116 3.2 48.9 1.0 O B:HOH516 3.3 52.9 1.0 CE1 B:HIS116 3.3 50.3 1.0 CB B:HIS116 3.5 48.2 1.0 CB B:HIS21 3.6 47.8 1.0 NE2 B:HIS21 4.1 47.0 1.0 NH1 B:ARG63 4.2 52.0 1.0 CG B:GLU24 4.2 50.3 1.0 CD2 B:HIS21 4.2 48.2 1.0 CA B:HIS116 4.2 48.3 1.0 N B:AS9501 4.2 71.5 1.0 CA B:AS9501 4.3 72.1 1.0 O B:ASN117 4.3 48.1 1.0 CD2 B:HIS116 4.3 50.6 1.0 CAA B:AS9501 4.4 71.3 1.0 NE2 B:HIS116 4.4 51.6 1.0 N B:ASN117 4.6 48.2 1.0 CB B:GLU24 4.7 50.2 1.0 N B:HIS21 4.8 47.6 1.0 CA B:HIS21 4.8 48.5 1.0 C B:HIS116 4.9 48.4 1.0 NH2 B:ARG63 5.0 53.1 1.0 CZ B:ARG63 5.0 52.6 1.0

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