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Chlorine in PDB 5ely: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU242

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU242

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU242:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU242, PDB code: 5ely was solved by C.Barinka, Z.Novakova, J.Pavlicek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.81
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.060, 130.827, 158.386, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 19.9

Other elements in 5ely:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU242 also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU242 (pdb code 5ely). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU242, PDB code: 5ely:

Chlorine binding site 1 out of 1 in 5ely

Go back to Chlorine Binding Sites List in 5ely
Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU242


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU242 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl804

b:24.1
occ:1.00
O A:HOH958 3.2 25.4 1.0
ND2 A:ASN451 3.3 20.0 1.0
NE A:ARG534 3.3 23.3 1.0
O A:HOH1073 3.3 26.0 1.0
N A:ASP453 3.3 19.6 1.0
NH2 A:ARG534 3.4 21.6 1.0
CZ A:ARG534 3.8 24.5 1.0
CB A:ARG534 3.8 20.4 1.0
NH2 A:ARG580 3.8 20.9 1.0
CB A:ASP453 3.8 18.8 1.0
CB A:ASN451 4.0 18.3 1.0
N A:ALA452 4.0 20.9 1.0
CA A:ASP453 4.1 19.7 1.0
CG A:ASN451 4.1 19.2 1.0
C A:ASN451 4.2 20.0 1.0
CA A:ALA452 4.3 21.7 1.0
O A:ASP453 4.3 21.8 1.0
C A:ASP453 4.3 21.2 1.0
C A:ALA452 4.3 20.8 1.0
O A:ASN451 4.4 21.4 1.0
CD A:ARG534 4.4 23.2 1.0
CD A:ARG536 4.5 23.4 0.3
CG A:ARG534 4.6 23.2 1.0
CD A:ARG536 4.6 26.6 0.7
CZ A:ARG580 4.6 23.0 1.0
CA A:ASN451 4.7 18.3 1.0
O A:ALA535 4.7 21.5 1.0
O A:SER454 4.8 23.5 1.0
CA A:ARG534 4.8 20.5 1.0
N A:ALA535 4.9 20.8 1.0
NE A:ARG536 4.9 25.2 0.7

Reference:

Z.Novakova, K.Wozniak, A.Jancarik, R.Rais, Y.Wu, J.Pavlicek, D.Ferraris, B.Havlinova, J.Ptacek, J.Vavra, N.Hin, C.Rojas, P.Majer, B.S.Slusher, T.Tsukamoto, C.Barinka. Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity. J.Med.Chem. V. 59 4539 2016.
ISSN: ISSN 0022-2623
PubMed: 27074627
DOI: 10.1021/ACS.JMEDCHEM.5B01806
Page generated: Sat Dec 12 11:41:36 2020

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