Chlorine in PDB 6hkj: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1:
3.4.17.21;

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1, PDB code: 6hkj 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)	47.30 / 2.09
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	102.296, 131.658, 160.019, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 20.4

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1 also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1 (pdb code 6hkj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1, PDB code: 6hkj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1


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 2-19-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl816 b:48.7 occ:1.00 O A:HOH1148 3.1 44.2 1.0 ND2 A:ASN451 3.2 41.3 1.0 NE A:ARG534 3.4 43.0 1.0 NH2 A:ARG534 3.5 44.1 1.0 N A:ASP453 3.5 45.1 1.0 NH2 A:ARG536 3.5 44.5 1.0 CB A:ASP453 3.8 44.1 1.0 CZ A:ARG534 3.9 46.6 1.0 CA A:ASP453 4.0 44.9 1.0 CB A:ARG534 4.0 47.2 1.0 NH2 A:ARG580 4.1 43.3 1.0 C A:ASP453 4.2 49.8 1.0 CG A:ASN451 4.2 44.8 1.0 CB A:ASN451 4.2 46.9 1.0 CZ A:ARG536 4.3 49.6 1.0 O A:ASP453 4.3 44.9 1.0 N A:ALA452 4.3 48.3 1.0 NE A:ARG536 4.4 47.0 1.0 C A:ALA452 4.5 45.9 1.0 O A:SER454 4.5 46.7 1.0 CD A:ARG534 4.5 43.0 1.0 CA A:ALA452 4.5 46.2 1.0 C A:ASN451 4.6 50.3 1.0 CG A:ARG534 4.6 45.0 1.0 N A:SER454 4.7 44.8 1.0 O A:ASN451 4.8 45.6 1.0 CZ A:ARG580 4.9 47.9 1.0 ND2 A:ASN519 5.0 41.8 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl819 b:62.5 occ:1.00 OH A:TYR234 3.0 49.7 1.0 O A:HOH1025 3.2 46.8 1.0 NAJ A:G8W818 3.3 64.7 1.0 N A:GLY548 3.5 73.3 1.0 CAC A:G8W818 3.5 70.7 1.0 CAD A:G8W818 3.9 70.0 1.0 CE1 A:TYR234 3.9 53.7 1.0 CZ A:TYR234 3.9 55.3 1.0 CD2 A:TYR552 4.0 50.8 1.0 CE2 A:TYR552 4.0 46.6 1.0 CB A:SER547 4.1 92.2 1.0 CA A:SER547 4.1 90.5 1.0 CAB A:G8W818 4.3 60.1 1.0 C A:SER547 4.3 82.7 1.0 NE2 A:GLN254 4.4 48.4 1.0 CAK A:G8W818 4.4 60.4 1.0 CA A:GLY548 4.4 79.1 1.0 CAE A:G8W818 4.8 76.7 1.0 OE1 A:GLN254 4.8 47.4 1.0 O A:HOH1035 4.9 47.4 1.0 CG A:TYR552 4.9 49.3 1.0 CD A:GLN254 4.9 50.3 1.0 CZ A:TYR552 5.0 46.6 1.0

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