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Iodine 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:

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

Iodine Binding Sites:

The binding sites of Iodine 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 Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dbibzl, A Urea-Based Inhibitor, PDB code: 3iww:

Iodine binding site 1 out of 1 in 3iww

Go back to Iodine Binding Sites List in 3iww
Iodine 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 Iodine with other atoms in the I 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:I1

b:40.3
occ:0.75
I24 A:YZE1 0.0 40.3 0.8
C23 A:YZE1 2.2 45.1 0.8
C25 A:YZE1 3.2 47.4 0.8
C22 A:YZE1 3.3 46.5 0.8
CG A:ARG534 3.5 22.9 1.0
O A:ARG463 3.6 21.1 1.0
CG A:ARG463 3.8 22.7 1.0
C A:ARG463 4.0 21.1 1.0
CD A:ARG463 4.0 24.3 1.0
CG A:ARG536 4.0 24.7 1.0
N A:ASP465 4.1 20.4 1.0
O A:ARG534 4.1 21.2 1.0
CD A:ARG534 4.1 28.1 1.0
N A:VAL464 4.2 21.6 1.0
N A:ALA535 4.2 18.6 1.0
C A:ARG534 4.2 20.6 1.0
NE A:ARG534 4.2 29.3 1.0
CB A:ARG463 4.3 20.7 1.0
CA A:VAL464 4.3 20.9 1.0
CA A:ALA535 4.3 19.7 1.0
N A:ARG536 4.3 20.1 1.0
C A:VAL464 4.4 20.6 1.0
NE A:ARG463 4.4 28.0 1.0
OD1 A:ASP465 4.4 31.7 1.0
CG A:ASP465 4.5 29.8 1.0
C A:ALA535 4.5 20.1 1.0
CB A:ARG534 4.6 21.4 1.0
C26 A:YZE1 4.6 45.4 0.8
CD A:ARG536 4.6 29.6 1.0
NE A:ARG536 4.6 31.4 1.0
C21 A:YZE1 4.6 45.3 0.8
CB A:ASP465 4.6 22.5 1.0
CA A:ARG463 4.8 20.6 1.0
CB A:ARG536 4.8 21.1 1.0
CZ A:ARG534 4.8 26.6 1.0
OD2 A:ASP465 4.9 36.2 1.0
CA A:ASP465 5.0 22.2 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: Sun Dec 13 19:27:46 2020

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