Atomistry » Iodine » PDB 4n6d-4p4z » 4oc0
Atomistry »
  Iodine »
    PDB 4n6d-4p4z »
      4oc0 »

Iodine in PDB 4oc0: X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine

Enzymatic activity of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine

All present enzymatic activity of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine, PDB code: 4oc0 was solved by J.Pavlicek, J.Ptacek, J.Cerny, Y.Byun, L.Skultetyova, M.Pomper, J.Lubkowski, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.47 / 1.85
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.376, 129.938, 158.575, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 18.1

Other elements in 4oc0:

The structure of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine 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 X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine (pdb code 4oc0). 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 X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine, PDB code: 4oc0:

Iodine binding site 1 out of 1 in 4oc0

Go back to Iodine Binding Sites List in 4oc0
Iodine binding site 1 out of 1 in the X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I818

b:51.7
occ:1.00
IAG A:2R7818 0.0 51.7 1.0
CAY A:2R7818 2.2 49.4 1.0
CAH A:2R7818 3.2 49.8 1.0
CAI A:2R7818 3.2 51.8 1.0
O A:ARG463 3.6 28.4 1.0
CG A:ARG534 3.7 28.1 1.0
CG A:ARG463 3.7 31.1 1.0
C A:ARG463 4.0 28.3 1.0
OD1 A:ASP465 4.0 41.8 1.0
CG A:ARG536 4.1 31.1 1.0
CD A:ARG463 4.1 33.8 1.0
N A:ASP465 4.1 25.3 1.0
O A:ARG534 4.2 25.7 1.0
CG A:ASP465 4.2 36.6 1.0
CB A:ARG463 4.3 28.8 1.0
CD A:ARG534 4.3 29.1 1.0
NE A:ARG534 4.3 31.6 1.0
CA A:VAL464 4.3 27.2 1.0
N A:VAL464 4.3 27.4 1.0
C A:ARG534 4.3 25.5 1.0
CA A:ALA535 4.3 26.7 1.0
N A:ARG536 4.3 25.8 1.0
C A:VAL464 4.4 27.8 1.0
N A:ALA535 4.4 25.5 1.0
NE A:ARG463 4.4 40.9 1.0
C A:ALA535 4.5 26.1 1.0
CAJ A:2R7818 4.5 52.4 1.0
NE A:ARG536 4.5 37.7 1.0
CAK A:2R7818 4.6 52.0 1.0
CD A:ARG536 4.6 37.0 1.0
CB A:ARG534 4.6 24.9 1.0
OD2 A:ASP465 4.6 45.6 1.0
O A:HOH1341 4.7 49.0 1.0
CB A:ASP465 4.7 27.8 1.0
CA A:ARG463 4.8 28.0 1.0
CZ A:ARG534 4.8 33.6 1.0
CB A:ARG536 4.8 28.8 1.0
CA A:ASP465 5.0 27.6 1.0

Reference:

J.Pavlicek, J.Ptacek, J.Cerny, Y.Byun, L.Skultetyova, M.G.Pomper, J.Lubkowski, C.Barinka. Structural Characterization of P1'-Diversified Urea-Based Inhibitors of Glutamate Carboxypeptidase II. Bioorg.Med.Chem.Lett. V. 24 2340 2014.
ISSN: ISSN 0960-894X
PubMed: 24731280
DOI: 10.1016/J.BMCL.2014.03.066
Page generated: Sun Aug 11 18:57:02 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy