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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 6hkj:

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

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 2-19-1 (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 6hkj

Go back to Chlorine Binding Sites List in 6hkj
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 6hkj

Go back to Chlorine Binding Sites List in 6hkj
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

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: Sat Dec 12 13:05:17 2020

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