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Calcium in PDB 2pvw: A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa)

Enzymatic activity of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa)

All present enzymatic activity of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa):
3.4.17.21;

Protein crystallography data

The structure of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa), PDB code: 2pvw was solved by C.Barinka, J.Lubkowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.71
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.849, 130.822, 159.452, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 20.7

Other elements in 2pvw:

The structure of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa) also contains other interesting chemical elements:

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

Calcium Binding Sites:

The binding sites of Calcium atom in the A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa) (pdb code 2pvw). 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 A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa), PDB code: 2pvw:

Calcium binding site 1 out of 1 in 2pvw

Go back to Calcium Binding Sites List in 2pvw
Calcium binding site 1 out of 1 in the A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1753

b:22.1
occ:1.00
 OE2 A:GLU436 2.3 27.1 1.0
O A:TYR272 2.3 23.2 1.0
O A:THR269 2.4 23.3 1.0
OE2 A:GLU433 2.4 21.7 1.0
OE1 A:GLU433 2.4 23.2 1.0
OG1 A:THR269 2.5 23.4 1.0
O A:HOH1773 2.5 25.9 1.0
CD A:GLU433 2.8 19.7 1.0
C A:THR269 3.3 23.6 1.0
CB A:THR269 3.3 23.9 1.0
CD A:GLU436 3.5 24.4 1.0
C A:TYR272 3.5 22.6 1.0
CA A:THR269 3.9 24.0 1.0
OE1 A:GLU436 3.9 23.3 1.0
N A:TYR272 4.0 23.3 1.0
CA A:PRO273 4.2 23.2 1.0
N A:ALA274 4.2 22.7 1.0
CB A:ASP266 4.2 24.2 1.0
N A:PRO270 4.3 24.6 1.0
N A:PRO273 4.3 23.9 1.0
CG A:GLU433 4.3 21.0 1.0
CA A:TYR272 4.4 24.0 1.0
C A:PRO273 4.4 23.2 1.0
CA A:PRO270 4.5 24.3 1.0
N A:ASP266 4.5 22.8 1.0
N A:GLY271 4.5 24.9 1.0
O A:ASP266 4.5 24.4 1.0
O A:ALA264 4.6 26.2 1.0
N A:THR269 4.7 23.3 1.0
CG A:GLU436 4.7 21.1 1.0
OD2 A:ASP266 4.7 26.2 1.0
CG2 A:THR269 4.7 23.3 1.0
C A:PRO270 4.7 24.2 1.0
CB A:ALA274 4.9 23.8 1.0
CA A:ASP266 4.9 23.5 1.0
CB A:GLU436 4.9 21.4 1.0
C A:GLY271 5.0 25.3 1.0

Reference:

C.Barinka, M.Rovenska, P.Mlcochova, K.Hlouchova, A.Plechanovova, P.Majer, T.Tsukamoto, B.S.Slusher, J.Konvalinka, J.Lubkowski. Structural Insight Into the Pharmacophore Pocket of Human Glutamate Carboxypeptidase II. J.Med.Chem. V. 50 3267 2007.
ISSN: ISSN 0022-2623
PubMed: 17567119
DOI: 10.1021/JM070133W
Page generated: Fri Jul 12 15:18:10 2024

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