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Chlorine 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:

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

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine 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:

Chlorine binding site 1 out of 1 in 4oc0

Go back to Chlorine Binding Sites List in 4oc0
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl817

b:30.0
occ:1.00
O A:HOH921 3.2 34.2 1.0
ND2 A:ASN451 3.3 26.1 1.0
N A:ASP453 3.3 24.6 1.0
NH2 A:ARG536 3.3 36.0 1.0
NH1 A:ARG534 3.4 31.9 1.0
NE A:ARG534 3.4 31.6 1.0
CB A:ASP453 3.8 24.6 1.0
CZ A:ARG534 3.9 33.6 1.0
CB A:ARG534 3.9 24.9 1.0
NH2 A:ARG580 3.9 24.9 1.0
CA A:ASP453 4.0 26.0 1.0
CB A:ASN451 4.1 22.6 1.0
CG A:ASN451 4.1 26.0 1.0
C A:ASP453 4.2 27.7 1.0
N A:ALA452 4.2 24.4 1.0
CZ A:ARG536 4.3 39.4 1.0
O A:ASP453 4.3 28.1 1.0
C A:ALA452 4.3 25.8 1.0
C A:ASN451 4.3 25.0 1.0
NE A:ARG536 4.3 37.7 1.0
CA A:ALA452 4.4 25.1 1.0
O A:ASN451 4.5 26.4 1.0
CD A:ARG534 4.5 29.1 1.0
CG A:ARG534 4.6 28.1 1.0
O A:SER454 4.6 27.2 0.8
CZ A:ARG580 4.8 27.1 1.0
N A:SER454 4.9 26.8 0.2
N A:SER454 4.9 27.3 0.8
ND2 A:ASN519 4.9 24.1 1.0
CA A:ASN451 4.9 23.4 1.0
CA A:ARG534 5.0 24.5 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: Sat Dec 12 11:00:40 2020

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