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Chlorine in PDB 4w9y: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Glutamyl Sulfamide Inhibitor CJC47

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Glutamyl Sulfamide Inhibitor CJC47

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Glutamyl Sulfamide Inhibitor CJC47:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Glutamyl Sulfamide Inhibitor CJC47, PDB code: 4w9y was solved by J.Pavlicek, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.43 / 1.64
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.189, 130.425, 158.452, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 17.7

Other elements in 4w9y:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Glutamyl Sulfamide Inhibitor CJC47 also contains other interesting chemical elements:

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 Glutamyl Sulfamide Inhibitor CJC47 (pdb code 4w9y). 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 (Gcpii) in Complex with A Glutamyl Sulfamide Inhibitor CJC47, PDB code: 4w9y:

Chlorine binding site 1 out of 1 in 4w9y

Go back to Chlorine Binding Sites List in 4w9y
Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Glutamyl Sulfamide Inhibitor CJC47


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 Glutamyl Sulfamide Inhibitor CJC47 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl817

b:18.9
occ:1.00
HD22 A:ASN451 2.5 15.8 1.0
HE A:ARG534 2.5 22.7 1.0
HH11 A:ARG534 2.6 20.9 1.0
H A:ASP453 2.6 16.5 1.0
HB2 A:ARG534 2.9 17.2 1.0
O A:HOH1179 3.2 17.7 0.7
HB3 A:ASN451 3.2 15.1 1.0
O A:HOH1027 3.2 20.1 1.0
ND2 A:ASN451 3.2 15.8 1.0
HB3 A:ASP453 3.3 15.8 1.0
NE A:ARG534 3.3 22.7 1.0
N A:ASP453 3.4 16.5 1.0
NH1 A:ARG534 3.4 20.9 1.0
HD2 A:ARG536 3.6 31.2 1.0
HH21 A:ARG580 3.7 16.4 1.0
HD21 A:ASN451 3.7 15.8 1.0
HB2 A:ASP453 3.7 15.8 1.0
HH22 A:ARG580 3.8 16.4 1.0
CZ A:ARG534 3.8 22.9 1.0
CB A:ASP453 3.8 15.8 1.0
CB A:ARG534 3.8 17.2 1.0
NH2 A:ARG580 3.9 16.4 1.0
HA A:ALA452 4.0 15.8 1.0
CA A:ASP453 4.0 16.7 1.0
CB A:ASN451 4.0 15.1 1.0
HB3 A:ARG534 4.0 17.2 1.0
CG A:ASN451 4.1 15.5 1.0
HH12 A:ARG534 4.1 20.9 1.0
N A:ALA452 4.2 16.0 1.0
C A:ASP453 4.3 18.3 1.0
C A:ASN451 4.3 15.7 1.0
O A:ASP453 4.3 18.4 1.0
H A:ALA452 4.3 16.0 1.0
H A:ALA535 4.4 16.7 1.0
C A:ALA452 4.4 16.1 1.0
CA A:ALA452 4.4 15.8 1.0
HB3 A:ARG536 4.5 19.8 1.0
CD A:ARG534 4.5 20.4 1.0
O A:ASN451 4.5 16.8 1.0
CD A:ARG536 4.6 31.2 1.0
CG A:ARG534 4.6 18.5 1.0
HG3 A:ARG534 4.6 18.5 1.0
HB2 A:ASN451 4.7 15.1 1.0
HA A:ARG534 4.7 17.2 1.0
CZ A:ARG580 4.7 19.0 1.0
O A:SER454 4.7 19.1 0.8
HD2 A:ARG534 4.8 20.4 1.0
CA A:ASN451 4.8 14.8 1.0
CA A:ARG534 4.8 17.2 1.0
O A:SER454 4.9 19.7 0.2
O A:ALA535 4.9 17.9 1.0
NE A:ARG536 4.9 30.2 1.0
HD3 A:ARG536 4.9 31.2 1.0
N A:ALA535 4.9 16.7 1.0
HA A:ASP453 4.9 16.7 1.0
HE A:ARG536 5.0 30.2 1.0

Reference:

C.J.Choy, M.D.Fulton, A.L.Davis, J.Pavlicek, C.Barinka, C.E.Berkman. Aryl Glutamyl Sulfamides As Inhibitors of Glutamate Carboxypeptidase II (Gcpii) To Be Published.
Page generated: Sat Dec 12 11:17:23 2020

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