Atomistry » Chlorine » PDB 4oad-4ogn » 4oc1
Atomistry »
  Chlorine »
    PDB 4oad-4ogn »
      4oc1 »

Chlorine in PDB 4oc1: X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Coibzl, A Urea-Based Inhibitor (2S)-2-[({(1S)-1-Carboxy- 2-[(2S)-Oxiran-2-Yl]Ethyl}Carbamoyl)Amino]-6-[(4-Iodobenzoyl) Amino]Hexanoic Acid

Enzymatic activity of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Coibzl, A Urea-Based Inhibitor (2S)-2-[({(1S)-1-Carboxy- 2-[(2S)-Oxiran-2-Yl]Ethyl}Carbamoyl)Amino]-6-[(4-Iodobenzoyl) Amino]Hexanoic Acid

All present enzymatic activity of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Coibzl, A Urea-Based Inhibitor (2S)-2-[({(1S)-1-Carboxy- 2-[(2S)-Oxiran-2-Yl]Ethyl}Carbamoyl)Amino]-6-[(4-Iodobenzoyl) Amino]Hexanoic Acid:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Coibzl, A Urea-Based Inhibitor (2S)-2-[({(1S)-1-Carboxy- 2-[(2S)-Oxiran-2-Yl]Ethyl}Carbamoyl)Amino]-6-[(4-Iodobenzoyl) Amino]Hexanoic Acid, PDB code: 4oc1 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) 29.48 / 1.75
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.396, 130.353, 158.944, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 19.3

Other elements in 4oc1:

The structure of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Coibzl, A Urea-Based Inhibitor (2S)-2-[({(1S)-1-Carboxy- 2-[(2S)-Oxiran-2-Yl]Ethyl}Carbamoyl)Amino]-6-[(4-Iodobenzoyl) Amino]Hexanoic Acid also contains other interesting chemical elements:

Iodine (I) 2 atoms
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 Coibzl, A Urea-Based Inhibitor (2S)-2-[({(1S)-1-Carboxy- 2-[(2S)-Oxiran-2-Yl]Ethyl}Carbamoyl)Amino]-6-[(4-Iodobenzoyl) Amino]Hexanoic Acid (pdb code 4oc1). 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 Coibzl, A Urea-Based Inhibitor (2S)-2-[({(1S)-1-Carboxy- 2-[(2S)-Oxiran-2-Yl]Ethyl}Carbamoyl)Amino]-6-[(4-Iodobenzoyl) Amino]Hexanoic Acid, PDB code: 4oc1:

Chlorine binding site 1 out of 1 in 4oc1

Go back to Chlorine Binding Sites List in 4oc1
Chlorine binding site 1 out of 1 in the X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Coibzl, A Urea-Based Inhibitor (2S)-2-[({(1S)-1-Carboxy- 2-[(2S)-Oxiran-2-Yl]Ethyl}Carbamoyl)Amino]-6-[(4-Iodobenzoyl) Amino]Hexanoic Acid


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 Coibzl, A Urea-Based Inhibitor (2S)-2-[({(1S)-1-Carboxy- 2-[(2S)-Oxiran-2-Yl]Ethyl}Carbamoyl)Amino]-6-[(4-Iodobenzoyl) Amino]Hexanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl817

b:24.4
occ:1.00
 O A:HOH921 3.2 29.1 1.0
ND2 A:ASN451 3.3 19.9 1.0
N A:ASP453 3.3 20.8 1.0
NH2 A:ARG536 3.4 26.8 1.0
NH2 A:ARG534 3.5 23.2 1.0
NE A:ARG534 3.5 21.2 1.0
CB A:ASP453 3.7 19.1 1.0
CA A:ASP453 3.9 20.4 1.0
NH2 A:ARG580 3.9 20.0 1.0
CZ A:ARG534 4.0 23.7 1.0
CB A:ARG534 4.0 20.5 1.0
C A:ASP453 4.2 22.0 1.0
CG A:ASN451 4.2 21.0 1.0
CB A:ASN451 4.2 17.0 1.0
N A:ALA452 4.3 18.1 1.0
CZ A:ARG536 4.3 27.1 1.0
C A:ALA452 4.4 19.1 1.0
NE A:ARG536 4.4 28.2 1.0
O A:ASP453 4.4 23.5 1.0
C A:ASN451 4.4 18.9 1.0
CA A:ALA452 4.4 19.3 1.0
O A:ASN451 4.5 21.2 1.0
CD A:ARG534 4.6 21.0 1.0
O A:SER454 4.7 22.9 1.0
CG A:ARG534 4.7 21.6 1.0
IAG A:2QS818 4.8 35.9 0.4
N A:SER454 4.8 20.9 1.0
CZ A:ARG580 4.8 21.2 1.0
ND2 A:ASN519 4.8 17.3 1.0
CAI A:2QS818 4.8 37.4 0.4
CG A:ASN519 4.9 19.6 1.0
CA A:ARG534 5.0 19.0 1.0
CA A:ASN451 5.0 17.4 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: Fri Jul 11 19:59:26 2025

Last articles

Zn in 9UUO
Zn in 9UUS
Zn in 9W4R
Zn in 9VKW
Zn in 9W4S
Zn in 9VH1
Zn in 9RMX
Zn in 9RMU
Zn in 9QWN
Zn in 9U9Y
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy