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Iodine in PDB 3d7h: A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcibzl, A Urea-Based Inhibitor

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

All present enzymatic activity of A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcibzl, 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 Dcibzl, A Urea-Based Inhibitor, PDB code: 3d7h 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 / 1.55
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.274, 130.511, 158.732, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 20.9

Other elements in 3d7h:

The structure of A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcibzl, 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 Dcibzl, A Urea-Based Inhibitor (pdb code 3d7h). 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 Dcibzl, A Urea-Based Inhibitor, PDB code: 3d7h:

Iodine binding site 1 out of 1 in 3d7h

Go back to Iodine Binding Sites List in 3d7h
Iodine binding site 1 out of 1 in the A High Resolution Crystal Structure of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Dcibzl, 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 Dcibzl, A Urea-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1

b:30.1
occ:0.80
 I24 A:YC21 0.0 30.1 0.8
C23 A:YC21 2.2 26.9 1.0
C25 A:YC21 3.1 29.2 1.0
C22 A:YC21 3.2 30.2 1.0
O A:ARG463 3.5 22.9 1.0
CG A:ARG463 3.7 23.5 1.0
CG A:ARG534 3.8 21.2 1.0
C A:ARG463 3.9 23.1 1.0
CD A:ARG463 4.0 24.1 1.0
CB A:ARG463 4.0 23.2 1.0
CG A:ARG536 4.1 21.9 1.0
N A:ASP465 4.2 20.3 1.0
CD A:ARG534 4.2 22.9 1.0
N A:VAL464 4.3 22.6 1.0
NE A:ARG534 4.3 22.4 1.0
O A:ARG534 4.3 19.8 1.0
CA A:VAL464 4.3 21.3 1.0
N A:ARG536 4.3 19.6 1.0
CA A:ALA535 4.3 19.6 1.0
OD1 A:ASP465 4.3 27.3 1.0
CG A:ASP465 4.4 26.2 1.0
C A:ARG534 4.4 18.3 1.0
N A:ALA535 4.4 19.7 1.0
C A:VAL464 4.4 20.7 1.0
NE A:ARG463 4.5 25.0 1.0
C26 A:YC21 4.5 29.0 1.0
C21 A:YC21 4.5 28.9 1.0
C A:ALA535 4.5 21.2 1.0
CA A:ARG463 4.6 22.4 1.0
CB A:ARG534 4.7 19.8 1.0
CD A:ARG536 4.7 24.2 1.0
NE A:ARG536 4.7 25.8 1.0
O A:HOH2175 4.7 30.9 1.0
OD2 A:ASP465 4.7 27.1 1.0
CZ A:ARG534 4.8 19.6 1.0
CB A:ASP465 4.8 22.4 1.0
CB A:ARG536 4.9 21.3 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 14:58:23 2024

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