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Chlorine in PDB 3sjx: X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Methionine

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Methionine

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Methionine:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Methionine, PDB code: 3sjx 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) 28.21 / 1.66
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.539, 129.937, 159.194, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 20.4

Other elements in 3sjx:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Methionine 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 X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Methionine (pdb code 3sjx). 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 (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Methionine, PDB code: 3sjx:

Chlorine binding site 1 out of 1 in 3sjx

Go back to Chlorine Binding Sites List in 3sjx
Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Methionine


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 (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1754

b:17.1
occ:1.00
 O A:HOH1819 3.2 16.9 1.0
ND2 A:ASN451 3.3 19.1 1.0
N A:ASP453 3.4 18.8 1.0
NH1 A:ARG534 3.4 22.8 1.0
NE A:ARG534 3.4 29.8 1.0
NH1 A:ARG536 3.5 25.1 1.0
CB A:ASP453 3.8 18.3 1.0
NH2 A:ARG580 3.8 19.6 1.0
CZ A:ARG534 3.9 28.1 1.0
CA A:ASP453 3.9 18.8 1.0
CB A:ARG534 4.0 18.4 1.0
C A:ASP453 4.0 19.9 1.0
O A:ASP453 4.1 19.3 1.0
CG A:ASN451 4.2 18.9 1.0
CB A:ASN451 4.2 18.1 1.0
CZ A:ARG536 4.2 25.7 1.0
N A:ALA452 4.2 18.9 1.0
C A:ALA452 4.3 19.3 1.0
NE A:ARG536 4.3 25.0 1.0
CA A:ALA452 4.4 19.9 1.0
C A:ASN451 4.4 19.3 1.0
O A:SER454 4.4 20.8 1.0
CD A:ARG534 4.6 26.1 1.0
O A:ASN451 4.6 20.4 1.0
CG A:ARG534 4.7 21.7 1.0
CZ A:ARG580 4.7 21.9 1.0
N A:SER454 4.7 18.9 1.0
O A:ALA535 4.8 20.6 1.0
ND2 A:ASN519 4.9 19.4 1.0
CA A:ARG534 4.9 18.9 1.0
N A:ALA535 4.9 19.2 1.0
CG A:ASN519 5.0 18.8 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 04:33:33 2024

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