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Chlorine in PDB 5d29: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU241

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU241

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU241:
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 JHU241, PDB code: 5d29 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) 44.82 / 1.80
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 100.191, 130.459, 157.196, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 20.5

Other elements in 5d29:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU241 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 JHU241 (pdb code 5d29). 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 JHU241, PDB code: 5d29:

Chlorine binding site 1 out of 1 in 5d29

Go back to Chlorine Binding Sites List in 5d29
Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Hydroxamate Inhibitor JHU241


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 JHU241 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl816

b:26.4
occ:1.00
 NH2 A:ARG536 3.0 22.2 0.5
O A:HOH972 3.2 25.6 1.0
N A:ASP453 3.3 20.4 1.0
NE A:ARG534 3.3 23.3 1.0
ND2 A:ASN451 3.4 20.5 1.0
NH2 A:ARG534 3.4 22.5 1.0
CB A:ASP453 3.7 19.7 1.0
CB A:ARG534 3.8 22.0 1.0
CZ A:ARG534 3.9 26.3 1.0
NH2 A:ARG580 3.9 20.6 1.0
CZ A:ARG536 4.0 27.9 0.5
CA A:ASP453 4.0 20.2 1.0
CB A:ASN451 4.0 18.0 1.0
N A:ALA452 4.1 19.0 1.0
CG A:ASN451 4.2 17.8 1.0
C A:ASP453 4.2 22.8 1.0
C A:ASN451 4.3 20.4 1.0
CA A:ALA452 4.3 20.2 1.0
C A:ALA452 4.3 19.8 1.0
O A:ASP453 4.3 22.1 1.0
NE A:ARG536 4.4 32.0 0.5
CD A:ARG534 4.4 24.2 1.0
O A:ASN451 4.4 21.0 1.0
CG A:ARG534 4.5 23.3 1.0
CZ A:ARG580 4.7 19.4 1.0
CD A:ARG536 4.7 21.1 0.5
O A:SER454 4.7 23.4 1.0
CA A:ARG534 4.8 20.7 1.0
NH1 A:ARG536 4.8 28.3 0.5
CA A:ASN451 4.8 18.1 1.0
N A:ALA535 4.9 21.0 1.0
O A:ALA535 4.9 21.8 1.0
N A:SER454 4.9 21.4 1.0

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: Fri Jul 26 06:29:42 2024

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