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Chlorine in PDB 3sjf: X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with A Urea-Based Inhibitor (A25)

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with A Urea-Based Inhibitor (A25)

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with A Urea-Based Inhibitor (A25):
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with A Urea-Based Inhibitor (A25), PDB code: 3sjf 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) 29.52 / 1.65
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.545, 130.431, 159.156, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 17.8

Other elements in 3sjf:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with A Urea-Based Inhibitor (A25) also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with A Urea-Based Inhibitor (A25) (pdb code 3sjf). 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 in Complex with A Urea-Based Inhibitor (A25), PDB code: 3sjf:

Chlorine binding site 1 out of 1 in 3sjf

Go back to Chlorine Binding Sites List in 3sjf
Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with A Urea-Based Inhibitor (A25)


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 in Complex with A Urea-Based Inhibitor (A25) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1754

b:20.1
occ:1.00
O A:HOH1788 3.2 25.1 1.0
ND2 A:ASN451 3.3 19.9 1.0
N A:ASP453 3.4 20.9 1.0
NH1 A:ARG534 3.4 23.2 1.0
NH2 A:ARG536 3.4 25.6 1.0
NE A:ARG534 3.5 23.1 1.0
CB A:ASP453 3.7 18.9 1.0
NH2 A:ARG580 3.9 21.5 1.0
CA A:ASP453 3.9 19.8 1.0
CZ A:ARG534 3.9 24.0 1.0
CB A:ARG534 4.0 20.4 1.0
C A:ASP453 4.2 21.7 1.0
CB A:ASN451 4.2 17.3 1.0
CG A:ASN451 4.2 19.5 1.0
NE A:ARG536 4.3 27.7 1.0
CZ A:ARG536 4.4 26.4 1.0
O A:ASP453 4.4 22.1 1.0
N A:ALA452 4.4 18.3 1.0
C A:ALA452 4.4 20.5 1.0
C A:ASN451 4.4 19.0 1.0
CA A:ALA452 4.4 19.8 1.0
O A:ASN451 4.5 21.8 1.0
O A:SER454 4.6 22.6 0.8
CD A:ARG534 4.6 20.8 1.0
O A:SER454 4.7 22.4 0.2
CG A:ARG534 4.8 20.5 1.0
N A:SER454 4.8 20.5 0.8
CZ A:ARG580 4.8 21.1 1.0
N A:SER454 4.8 21.3 0.2
ND2 A:ASN519 4.8 18.1 1.0
CG A:ASN519 5.0 19.0 1.0
CA A:ARG534 5.0 19.8 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 04:33:08 2024

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