Chlorine in PDB 6h7y: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 1-79-1

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 1-79-1:
3.4.17.21;

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 1-79-1, PDB code: 6h7y 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)	47.26 / 1.81
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	102.258, 131.376, 159.874, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 17.8

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 1-79-1 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 1-79-1 (pdb code 6h7y). 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 1-79-1, PDB code: 6h7y:
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 1-79-1


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 1-79-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl820 b:34.4 occ:1.00 O A:HOH988 3.1 35.9 1.0 ND2 A:ASN451 3.3 32.4 1.0 NH2 A:ARG534 3.4 32.1 1.0 NE A:ARG534 3.4 32.4 1.0 N A:ASP453 3.4 32.0 1.0 NH2 A:ARG536 3.6 35.6 1.0 CB A:ASP453 3.8 30.2 1.0 CZ A:ARG534 3.9 32.4 1.0 CA A:ASP453 3.9 32.4 1.0 CB A:ARG534 4.0 32.2 1.0 NH2 A:ARG580 4.1 34.3 1.0 C A:ASP453 4.1 33.4 1.0 CG A:ASN451 4.3 31.4 1.0 CB A:ASN451 4.3 31.2 1.0 O A:ASP453 4.3 35.1 1.0 CZ A:ARG536 4.4 35.5 1.0 N A:ALA452 4.4 33.0 1.0 C A:ALA452 4.5 34.3 1.0 NE A:ARG536 4.5 35.6 1.0 O A:SER454 4.5 32.1 0.7 C A:ASN451 4.5 34.2 1.0 CA A:ALA452 4.6 35.0 1.0 CD A:ARG534 4.6 32.0 1.0 O A:SER454 4.6 37.9 0.3 CG A:ARG534 4.6 33.3 1.0 N A:SER454 4.7 32.4 0.7 O A:ASN451 4.7 33.5 1.0 N A:SER454 4.7 35.5 0.3 CZ A:ARG580 4.9 35.0 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 1-79-1


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 1-79-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl834 b:43.5 occ:1.00 OH A:TYR234 2.9 38.7 1.0 O A:HOH974 3.2 37.0 1.0 NAI A:FVZ833 3.4 45.6 1.0 N A:GLY548 3.4 48.6 1.0 CAE A:FVZ833 3.7 49.1 1.0 CD2 A:TYR552 3.7 34.0 1.0 CAC A:FVZ833 3.8 48.6 1.0 CE1 A:TYR234 3.8 38.7 1.0 CZ A:TYR234 3.8 40.3 1.0 CE2 A:TYR552 3.9 33.9 1.0 NE2 A:GLN254 4.2 36.5 1.0 CA A:SER547 4.2 53.5 1.0 CAJ A:FVZ833 4.3 40.8 1.0 CA A:GLY548 4.3 48.0 1.0 CB A:SER547 4.3 55.2 1.0 C A:SER547 4.3 49.3 1.0 CAL A:FVZ833 4.4 37.8 1.0 CAG A:FVZ833 4.6 52.0 1.0 CAB A:FVZ833 4.7 49.4 1.0 OE1 A:GLN254 4.7 35.2 1.0 CG A:TYR552 4.7 33.9 1.0 CD A:GLN254 4.7 35.2 1.0 O A:HOH1107 4.8 34.9 1.0 CZ A:TYR552 4.9 33.8 1.0 C A:GLY548 5.0 51.8 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