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Calcium in PDB 3bi1: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Transition State Analog of Methotrexate-Glu

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Transition State Analog of Methotrexate-Glu

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Transition State Analog of Methotrexate-Glu:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Transition State Analog of Methotrexate-Glu, PDB code: 3bi1 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 / 1.50
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 102.116, 130.462, 159.456, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 16.9

Other elements in 3bi1:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Transition State Analog of Methotrexate-Glu 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 X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Transition State Analog of Methotrexate-Glu (pdb code 3bi1). 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 Transition State Analog of Methotrexate-Glu, PDB code: 3bi1:

Calcium binding site 1 out of 1 in 3bi1

Go back to Calcium Binding Sites List in 3bi1
Calcium binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Transition State Analog of Methotrexate-Glu


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 Transition State Analog of Methotrexate-Glu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1753

b:14.4
occ:1.00
OE2 A:GLU436 2.3 17.6 1.0
O A:TYR272 2.3 16.2 1.0
OE2 A:GLU433 2.4 16.3 1.0
O A:THR269 2.4 15.3 1.0
O A:HOH1772 2.4 17.4 1.0
OE1 A:GLU433 2.5 16.0 1.0
OG1 A:THR269 2.5 15.6 1.0
CD A:GLU433 2.8 15.0 1.0
C A:THR269 3.3 16.4 1.0
CB A:THR269 3.4 18.0 1.0
C A:TYR272 3.4 15.3 1.0
CD A:GLU436 3.4 15.6 1.0
OE1 A:GLU436 3.9 16.6 1.0
N A:TYR272 4.0 16.0 1.0
CA A:THR269 4.0 16.5 1.0
CA A:PRO273 4.2 16.0 1.0
CB A:ASP266 4.2 16.9 1.0
N A:ALA274 4.2 15.8 1.0
N A:PRO273 4.3 15.7 1.0
N A:PRO270 4.3 16.8 1.0
CG A:GLU433 4.3 14.2 1.0
CA A:TYR272 4.3 16.5 1.0
C A:PRO273 4.4 16.0 1.0
N A:ASP266 4.4 14.2 1.0
CA A:PRO270 4.5 16.7 1.0
N A:GLY271 4.5 16.2 1.0
O A:ASP266 4.5 16.7 1.0
O A:ALA264 4.6 18.1 1.0
N A:THR269 4.6 16.1 1.0
CG A:GLU436 4.7 15.1 1.0
CG2 A:THR269 4.7 17.7 1.0
C A:PRO270 4.7 16.8 1.0
OD2 A:ASP266 4.7 17.9 1.0
CA A:ASP266 4.9 16.4 1.0
CB A:ALA274 4.9 17.4 1.0
CB A:GLU436 4.9 14.8 1.0
C A:GLY271 5.0 16.9 1.0

Reference:

C.Barinka, K.Hlouchova, M.Rovenska, P.Majer, M.Dauter, N.Hin, Y.S.Ko, T.Tsukamoto, B.S.Slusher, J.Konvalinka, J.Lubkowski. Structural Basis of Interactions Between Human Glutamate Carboxypeptidase II and Its Substrate Analogs J.Mol.Biol. V. 376 1438 2008.
ISSN: ISSN 0022-2836
PubMed: 18234225
DOI: 10.1016/J.JMB.2007.12.066
Page generated: Sat Dec 12 04:06:07 2020

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