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Chlorine in PDB 3iww: Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dbibzl, A Urea-Based Inhibitor

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

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

Protein crystallography data

The structure of Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dbibzl, A Urea-Based Inhibitor, PDB code: 3iww 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) 20.00 / 2.30
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.068, 130.035, 157.951, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 20.6

Other elements in 3iww:

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

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

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 1 in 3iww

Go back to Chlorine Binding Sites List in 3iww
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dbibzl, 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 Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dbibzl, A Urea-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1754

b:36.8
occ:1.00
 O A:HOH1788 3.0 33.1 1.0
NH1 A:ARG536 3.2 36.6 1.0
N A:ASP453 3.3 24.9 1.0
NE A:ARG534 3.4 29.3 1.0
ND2 A:ASN451 3.5 23.6 1.0
NH1 A:ARG534 3.5 25.6 1.0
CB A:ASP453 3.8 26.4 1.0
NH2 A:ARG580 3.9 19.4 1.0
CA A:ASP453 3.9 26.4 1.0
CZ A:ARG534 3.9 26.6 1.0
CB A:ARG534 3.9 21.4 1.0
CZ A:ARG536 4.1 32.7 1.0
NE A:ARG536 4.1 31.4 1.0
CB A:ASN451 4.2 20.3 1.0
C A:ASP453 4.2 27.0 1.0
C A:ALA452 4.2 24.4 1.0
O A:ASP453 4.3 27.3 1.0
CG A:ASN451 4.3 23.3 1.0
CA A:ALA452 4.3 23.7 1.0
C A:ASN451 4.3 22.1 1.0
N A:ALA452 4.3 23.3 1.0
O A:ASN451 4.4 23.0 1.0
CD A:ARG534 4.5 28.1 1.0
CG A:ARG534 4.5 22.9 1.0
O A:SER454 4.5 28.8 1.0
CZ A:ARG580 4.7 22.6 1.0
N A:SER454 4.8 26.3 1.0
O A:ALA535 4.9 20.1 1.0
CA A:ASN451 4.9 20.9 1.0
N A:ALA535 4.9 18.6 1.0
ND2 A:ASN519 4.9 22.4 1.0
CA A:ARG534 4.9 20.7 1.0

Reference:

H.Wang, Y.Byun, C.Barinka, M.Pullambhatla, H.E.Bhang, J.J.Fox, J.Lubkowski, R.C.Mease, M.G.Pomper. Bioisosterism of Urea-Based Gcpii Inhibitors: Synthesis and Structure-Activity Relationship Studies. Bioorg.Med.Chem.Lett. V. 20 392 2010.
ISSN: ISSN 0960-894X
PubMed: 19897367
DOI: 10.1016/J.BMCL.2009.10.061
Page generated: Sat Jul 20 22:01:42 2024

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