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Chlorine in PDB 5of0: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog, PDB code: 5of0 was solved by Z.Novakova, L.Motlova, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.25 / 1.48
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.467, 130.461, 159.574, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 17.2

Other elements in 5of0:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog 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), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog (pdb code 5of0). 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), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog, PDB code: 5of0:

Chlorine binding site 1 out of 1 in 5of0

Go back to Chlorine Binding Sites List in 5of0
Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog


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), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl821

b:31.9
occ:1.00
 O A:HOH1054 3.2 32.3 1.0
ND2 A:ASN451 3.3 28.7 1.0
NH2 A:ARG534 3.4 32.0 1.0
NE A:ARG534 3.4 31.7 1.0
N A:ASP453 3.5 29.8 1.0
NH2 A:ARG536 3.5 34.2 1.0
CB A:ASP453 3.8 30.6 1.0
CZ A:ARG534 3.9 31.0 1.0
CA A:ASP453 4.0 29.9 1.0
NH2 A:ARG580 4.0 30.3 1.0
CB A:ARG534 4.0 30.8 1.0
C A:ASP453 4.2 31.2 1.0
CG A:ASN451 4.2 30.1 1.0
CB A:ASN451 4.2 28.8 1.0
O A:ASP453 4.3 31.4 1.0
CZ A:ARG536 4.3 35.1 1.0
N A:ALA452 4.4 28.7 1.0
NE A:ARG536 4.4 35.4 1.0
C A:ALA452 4.5 30.4 1.0
C A:ASN451 4.5 29.4 1.0
O A:SER454 4.5 29.8 0.8
CA A:ALA452 4.5 30.9 1.0
CD A:ARG534 4.6 31.4 1.0
CG A:ARG534 4.6 30.3 1.0
O A:ASN451 4.7 31.2 1.0
N A:SER454 4.7 31.4 0.2
N A:SER454 4.8 29.9 0.8
O A:SER454 4.8 31.7 0.2
CAK A:9TB822 4.8 62.1 1.0
ND2 A:ASN519 4.8 27.8 1.0
CZ A:ARG580 4.8 30.4 1.0
O A:ALA535 4.9 32.1 1.0
CG A:ASN519 5.0 27.8 1.0
CA A:ARG534 5.0 30.0 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: Fri Jul 26 14:28:38 2024

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