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Chlorine in PDB 3d7d: A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcfbd, A Urea-Based Inhibitor

Enzymatic activity of A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcfbd, A Urea-Based Inhibitor

All present enzymatic activity of A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcfbd, A Urea-Based Inhibitor:
3.4.17.21;

Protein crystallography data

The structure of A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcfbd, A Urea-Based Inhibitor, PDB code: 3d7d was solved by J.Lubkowski, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.69
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.930, 130.497, 159.187, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 19.9

Other elements in 3d7d:

The structure of A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcfbd, A Urea-Based Inhibitor also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcfbd, A Urea-Based Inhibitor (pdb code 3d7d). 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 A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcfbd, A Urea-Based Inhibitor, PDB code: 3d7d:

Chlorine binding site 1 out of 1 in 3d7d

Go back to Chlorine Binding Sites List in 3d7d
Chlorine binding site 1 out of 1 in the A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcfbd, A Urea-Based Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcfbd, A Urea-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1754

b:24.2
occ:1.00
 O A:HOH2387 3.0 35.1 1.0
O A:HOH1789 3.2 22.6 1.0
ND2 A:ASN451 3.3 20.1 1.0
N A:ASP453 3.4 18.8 1.0
NE A:ARG534 3.4 22.3 1.0
NH1 A:ARG534 3.4 23.0 1.0
NH1 A:ARG536 3.5 23.2 1.0
CB A:ASP453 3.7 18.6 1.0
CZ A:ARG534 3.8 23.2 1.0
CA A:ASP453 3.9 19.0 1.0
CB A:ARG534 3.9 19.5 1.0
NH2 A:ARG580 4.0 19.2 1.0
CB A:ASN451 4.1 16.2 1.0
CG A:ASN451 4.2 18.2 1.0
C A:ASP453 4.2 21.7 1.0
N A:ALA452 4.3 18.6 1.0
CZ A:ARG536 4.4 26.8 1.0
C A:ALA452 4.4 18.7 1.0
O A:ASP453 4.4 21.6 1.0
NE A:ARG536 4.4 23.8 1.0
C A:ASN451 4.5 18.6 1.0
CA A:ALA452 4.5 19.3 1.0
CD A:ARG534 4.5 21.6 1.0
O A:ASN451 4.6 20.6 1.0
O A:SER454 4.7 21.6 1.0
CG A:ARG534 4.7 19.4 1.0
ND2 A:ASN519 4.8 17.4 1.0
N A:SER454 4.8 19.4 1.0
CZ A:ARG580 4.9 20.3 1.0
CG A:ASN519 4.9 19.8 1.0
CA A:ARG534 4.9 19.2 1.0

Reference:

C.Barinka, Y.Byun, C.L.Dusich, S.R.Banerjee, Y.Chen, M.Castanares, A.P.Kozikowski, R.C.Mease, M.G.Pomper, J.Lubkowski. Interactions Between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization J.Med.Chem. V. 51 7737 2008.
ISSN: ISSN 0022-2623
PubMed: 19053759
DOI: 10.1021/JM800765E
Page generated: Sat Jul 20 18:03:53 2024

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