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Calcium in PDB 6hkj: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1, PDB code: 6hkj was solved by L.Motlova, Z.Novakova, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.30 / 2.09
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 102.296, 131.658, 160.019, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 20.4

Other elements in 6hkj:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1 also contains other interesting chemical elements:

Fluorine (F) 1 atom
Zinc (Zn) 2 atoms
Chlorine (Cl) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1 (pdb code 6hkj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1, PDB code: 6hkj:

Calcium binding site 1 out of 1 in 6hkj

Go back to Calcium Binding Sites List in 6hkj
Calcium binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca815

b:45.0
occ:1.00
 O A:TYR272 2.4 47.0 1.0
OE2 A:GLU436 2.4 48.2 1.0
O A:HOH971 2.4 43.9 1.0
OE1 A:GLU433 2.4 42.5 1.0
O A:THR269 2.5 43.0 1.0
OE2 A:GLU433 2.5 45.1 1.0
OG1 A:THR269 2.5 44.6 1.0
CD A:GLU433 2.8 44.8 1.0
CB A:THR269 3.3 44.6 1.0
C A:THR269 3.4 46.5 1.0
C A:TYR272 3.4 43.9 1.0
CD A:GLU436 3.5 47.0 1.0
CA A:THR269 4.0 42.1 1.0
OE1 A:GLU436 4.0 42.8 1.0
N A:TYR272 4.0 46.0 1.0
CA A:PRO273 4.2 47.0 1.0
CB A:ASP266 4.2 47.3 1.0
N A:PRO273 4.3 45.1 1.0
N A:ALA274 4.3 45.3 1.0
CG A:GLU433 4.3 46.3 1.0
N A:PRO270 4.3 43.5 1.0
CA A:TYR272 4.4 43.9 1.0
C A:PRO273 4.4 45.1 1.0
N A:ASP266 4.5 47.6 1.0
N A:GLY271 4.5 47.5 1.0
CA A:PRO270 4.5 44.1 1.0
O A:ASP266 4.6 43.5 1.0
O A:ALA264 4.6 43.6 1.0
CG2 A:THR269 4.6 43.7 1.0
N A:THR269 4.7 44.3 1.0
OD2 A:ASP266 4.7 44.6 1.0
CG A:GLU436 4.7 41.9 1.0
C A:PRO270 4.8 47.7 1.0
CA A:ASP266 4.9 45.5 1.0
CB A:ALA274 4.9 48.1 1.0

Reference:

R.Nakajima, Z.Novakova, W.Tueckmantel, L.Motlova, C.Barinka, A.P.Kozikowski. 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands For Potential Use As Theranostics. Acs Med Chem Lett V. 9 1099 2018.
ISSN: ISSN 1948-5875
PubMed: 30429952
DOI: 10.1021/ACSMEDCHEMLETT.8B00318
Page generated: Tue Jul 16 08:26:19 2024

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