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Chlorine in PDB 3sjg: Human Glutamate Carboxypeptidase II (E424A Inactive Mutant ) in Complex with N-Acetyl-Aspartyl-Aminooctanoic Acid

Enzymatic activity of Human Glutamate Carboxypeptidase II (E424A Inactive Mutant ) in Complex with N-Acetyl-Aspartyl-Aminooctanoic Acid

All present enzymatic activity of Human Glutamate Carboxypeptidase II (E424A Inactive Mutant ) in Complex with N-Acetyl-Aspartyl-Aminooctanoic Acid:
3.4.17.21;

Protein crystallography data

The structure of Human Glutamate Carboxypeptidase II (E424A Inactive Mutant ) in Complex with N-Acetyl-Aspartyl-Aminooctanoic Acid, PDB code: 3sjg was solved by A.Plechanovova, Y.Byun, G.Alquicer, L.Skultetyova, P.Mlcochova, A.Nemcova, H.Kim, M.Navratil, R.Mease, J.Lubkowski, M.Pomper, J.Konvalinka, L.Rulisek, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.05 / 1.65
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 102.266, 129.993, 159.121, 90.00, 90.00, 90.00
R / Rfree (%) 16.6 / 18.3

Other elements in 3sjg:

The structure of Human Glutamate Carboxypeptidase II (E424A Inactive Mutant ) in Complex with N-Acetyl-Aspartyl-Aminooctanoic Acid also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Glutamate Carboxypeptidase II (E424A Inactive Mutant ) in Complex with N-Acetyl-Aspartyl-Aminooctanoic Acid (pdb code 3sjg). 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 Human Glutamate Carboxypeptidase II (E424A Inactive Mutant ) in Complex with N-Acetyl-Aspartyl-Aminooctanoic Acid, PDB code: 3sjg:

Chlorine binding site 1 out of 1 in 3sjg

Go back to Chlorine Binding Sites List in 3sjg
Chlorine binding site 1 out of 1 in the Human Glutamate Carboxypeptidase II (E424A Inactive Mutant ) in Complex with N-Acetyl-Aspartyl-Aminooctanoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Glutamate Carboxypeptidase II (E424A Inactive Mutant ) in Complex with N-Acetyl-Aspartyl-Aminooctanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1754

b:20.2
occ:1.00
 O A:HOH1820 3.2 18.5 1.0
ND2 A:ASN451 3.3 21.1 1.0
N A:ASP453 3.3 21.6 1.0
NH1 A:ARG534 3.4 26.4 1.0
NE A:ARG534 3.4 30.7 1.0
NH1 A:ARG536 3.5 29.4 1.0
CB A:ASP453 3.8 20.1 1.0
CZ A:ARG534 3.8 30.4 1.0
NH2 A:ARG580 3.8 21.7 1.0
CA A:ASP453 3.9 21.1 1.0
CB A:ARG534 3.9 21.3 1.0
C A:ASP453 4.1 22.3 1.0
CB A:ASN451 4.2 18.8 1.0
O A:ASP453 4.2 22.1 1.0
CG A:ASN451 4.2 20.0 1.0
CZ A:ARG536 4.2 30.2 1.0
N A:ALA452 4.3 19.4 1.0
C A:ALA452 4.3 21.1 1.0
NE A:ARG536 4.3 29.4 1.0
C A:ASN451 4.4 20.3 1.0
CA A:ALA452 4.4 20.8 1.0
O A:SER454 4.5 23.3 1.0
CD A:ARG534 4.5 27.9 1.0
O A:ASN451 4.6 22.2 1.0
CG A:ARG534 4.7 24.6 1.0
CZ A:ARG580 4.7 23.8 1.0
N A:SER454 4.7 21.4 1.0
O A:ALA535 4.8 23.2 1.0
ND2 A:ASN519 4.9 21.1 1.0
CA A:ARG534 4.9 21.7 1.0
CG A:ASN519 5.0 21.8 1.0
CA A:ASN451 5.0 19.2 1.0
N A:ALA535 5.0 21.8 1.0

Reference:

A.Plechanovova, Y.Byun, G.Alquicer, L.Skultetyova, P.Mlcochova, A.Nemcova, H.J.Kim, M.Navratil, R.Mease, J.Lubkowski, M.Pomper, J.Konvalinka, L.Rulisek, C.Barinka. Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity. J.Med.Chem. V. 54 7535 2011.
ISSN: ISSN 0022-2623
PubMed: 21923190
DOI: 10.1021/JM200807M
Page generated: Sun Jul 21 04:33:09 2024

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