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Chlorine in PDB 6hkz: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1, PDB code: 6hkz was solved by L.Motlova, Z.Novakova, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.59 / 2.09
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 102.956, 132.259, 161.589, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 20.3

Other elements in 6hkz:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1 also contains other interesting chemical elements:

Fluorine (F) 1 atom
Zinc (Zn) 2 atoms
Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1 (pdb code 6hkz). 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 Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1, PDB code: 6hkz:

Chlorine binding site 1 out of 1 in 6hkz

Go back to Chlorine Binding Sites List in 6hkz
Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1


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 Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl804

b:49.2
occ:1.00
 O A:HOH1020 3.2 45.7 1.0
NE A:ARG534 3.4 45.0 1.0
NH2 A:ARG534 3.4 43.8 1.0
N A:ASP453 3.4 48.4 1.0
ND2 A:ASN451 3.4 45.6 1.0
NH2 A:ARG536 3.5 48.0 1.0
CB A:ASP453 3.8 45.9 1.0
CZ A:ARG534 3.9 47.1 1.0
CA A:ASP453 4.0 45.8 1.0
NH2 A:ARG580 4.0 46.7 1.0
CB A:ARG534 4.1 49.9 1.0
C A:ASP453 4.1 51.6 1.0
CB A:ASN451 4.3 45.6 1.0
CZ A:ARG536 4.3 52.1 1.0
O A:ASP453 4.4 50.0 1.0
CG A:ASN451 4.4 46.7 1.0
N A:ALA452 4.4 48.6 1.0
C A:ALA452 4.5 48.1 1.0
CD A:ARG534 4.5 46.1 1.0
NE A:ARG536 4.5 50.4 1.0
O A:SER454 4.5 47.7 1.0
CA A:ALA452 4.5 48.6 1.0
C A:ASN451 4.5 50.2 1.0
CG A:ARG534 4.6 45.9 1.0
N A:SER454 4.7 47.1 1.0
O A:ASN451 4.7 47.1 1.0
CZ A:ARG580 4.8 48.8 1.0
O A:ALA535 5.0 49.5 1.0

Reference:

R.Nakajima, Z.Novakova, W.Tueckmantel, L.Motlova, C.Barinka, A.P.Kozikowski. 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands For Potential Use As Theranostics. Acs Med Chem Lett V. 9 1099 2018.
ISSN: ISSN 1948-5875
PubMed: 30429952
DOI: 10.1021/ACSMEDCHEMLETT.8B00318
Page generated: Sun Jul 28 00:57:07 2024

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