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Iodine in PDB 3d7f: A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcit, A Urea-Based Inhibitor

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

All present enzymatic activity of A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcit, 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 Dcit, A Urea-Based Inhibitor, PDB code: 3d7f 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 / 1.54
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.434, 130.059, 158.543, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 19.5

Other elements in 3d7f:

The structure of A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcit, 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 A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcit, A Urea-Based Inhibitor (pdb code 3d7f). 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 A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcit, A Urea-Based Inhibitor, PDB code: 3d7f:

Iodine binding site 1 out of 1 in 3d7f

Go back to Iodine Binding Sites List in 3d7f
Iodine binding site 1 out of 1 in the A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcit, 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 A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcit, A Urea-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1

b:48.0
occ:0.90
 I18 A:YBY1 0.0 48.0 0.9
C17 A:YBY1 2.1 38.9 1.0
C16 A:YBY1 3.1 37.4 1.0
C19 A:YBY1 3.1 38.1 1.0
O20 A:YBY1 3.3 37.6 1.0
NH2 A:ARG463 3.9 38.0 1.0
NH1 A:ARG463 3.9 36.8 1.0
O A:HOH2391 4.0 35.3 1.0
CZ A:ARG463 4.4 40.3 1.0
C15 A:YBY1 4.4 34.5 1.0
C21 A:YBY1 4.4 37.6 1.0
CH2 A:TRP541 4.5 55.2 1.0
CB A:TYR700 4.5 18.1 1.0
CG A:TYR700 4.8 17.9 1.0
C22 A:YBY1 4.9 37.5 1.0
O A:HOH1938 5.0 22.5 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: Sun Aug 11 14:58:05 2024

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