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Chlorine in PDB 2pvw: A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa)

Enzymatic activity of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa)

All present enzymatic activity of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa):
3.4.17.21;

Protein crystallography data

The structure of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa), PDB code: 2pvw was solved by C.Barinka, J.Lubkowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.71
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.849, 130.822, 159.452, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 20.7

Other elements in 2pvw:

The structure of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa) 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 A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa) (pdb code 2pvw). 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 A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa), PDB code: 2pvw:

Chlorine binding site 1 out of 1 in 2pvw

Go back to Chlorine Binding Sites List in 2pvw
Chlorine binding site 1 out of 1 in the A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1754

b:35.5
occ:1.00
 O A:HOH1788 3.1 35.8 1.0
ND2 A:ASN451 3.3 26.9 1.0
NE A:ARG534 3.3 36.3 1.0
NH2 A:ARG536 3.4 22.1 0.3
N A:ASP453 3.4 26.4 1.0
NH1 A:ARG534 3.5 37.2 1.0
CB A:ASP453 3.8 25.2 1.0
CB A:ARG534 3.8 26.9 1.0
CZ A:ARG534 3.9 37.2 1.0
NH2 A:ARG580 4.0 27.9 1.0
CA A:ASP453 4.0 27.2 1.0
CB A:ASN451 4.1 24.0 1.0
CG A:ASN451 4.1 25.0 1.0
N A:ALA452 4.2 24.2 1.0
C A:ASP453 4.3 28.7 1.0
CZ A:ARG536 4.3 26.2 0.3
NE A:ARG536 4.3 25.4 0.3
C A:ASN451 4.3 24.0 1.0
O A:ASP453 4.4 30.2 1.0
C A:ALA452 4.4 26.9 1.0
CA A:ALA452 4.4 25.8 1.0
CD A:ARG536 4.4 34.3 0.7
CD A:ARG534 4.5 35.5 1.0
O A:ASN451 4.5 27.6 1.0
CG A:ARG534 4.5 28.8 1.0
O A:SER454 4.7 31.8 1.0
CZ A:ARG580 4.8 29.2 1.0
CA A:ARG534 4.8 25.9 1.0
NE A:ARG536 4.8 35.0 0.7
O A:ALA535 4.9 26.6 1.0
CA A:ASN451 4.9 23.3 1.0
N A:ALA535 4.9 25.2 1.0
N A:SER454 4.9 29.1 1.0

Reference:

C.Barinka, M.Rovenska, P.Mlcochova, K.Hlouchova, A.Plechanovova, P.Majer, T.Tsukamoto, B.S.Slusher, J.Konvalinka, J.Lubkowski. Structural Insight Into the Pharmacophore Pocket of Human Glutamate Carboxypeptidase II. J.Med.Chem. V. 50 3267 2007.
ISSN: ISSN 0022-2623
PubMed: 17567119
DOI: 10.1021/JM070133W
Page generated: Sat Jul 20 10:18:15 2024

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