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Zinc 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:

Calcium (Ca) 1 atom
Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Glutamyl Sulfamide Inhibitor CJC47, PDB code: 4w9y:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4w9y

Go back to Zinc Binding Sites List in 4w9y
Zinc binding site 1 out of 2 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 Zinc with other atoms in the Zn 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:Zn814

b:16.1
occ:1.00
 NE2 A:HIS553 2.0 14.1 1.0
OD2 A:ASP387 2.0 17.0 1.0
OE2 A:GLU425 2.0 14.6 1.0
NAA A:3K0818 2.1 12.6 1.0
OE1 A:GLU425 2.4 15.3 1.0
CD A:GLU425 2.6 15.2 1.0
OAE A:3K0818 2.8 16.8 1.0
CG A:ASP387 2.9 17.3 1.0
CE1 A:HIS553 3.0 15.0 1.0
CD2 A:HIS553 3.0 15.6 1.0
SAN A:3K0818 3.0 15.7 1.0
HE1 A:HIS553 3.2 15.0 1.0
HD2 A:HIS553 3.2 15.6 1.0
OD1 A:ASP387 3.2 15.7 1.0
ZN A:ZN815 3.3 17.0 1.0
HE1 A:TYR552 3.4 17.4 1.0
HH A:TYR552 3.7 18.6 1.0
HD1 A:TRP381 3.9 15.9 1.0
HE1 A:HIS377 3.9 16.4 1.0
O A:HOH997 3.9 16.9 1.0
CA A:3K0818 4.0 14.9 1.0
O A:HOH1072 4.0 28.8 1.0
N A:3K0818 4.0 14.5 1.0
ND1 A:HIS553 4.1 14.4 1.0
CG A:GLU425 4.1 14.7 1.0
CE1 A:TYR552 4.1 17.4 1.0
CG A:HIS553 4.1 15.3 1.0
OAD A:3K0818 4.2 15.7 1.0
HE1 A:TRP381 4.2 17.0 1.0
OE1 A:GLU424 4.3 15.5 1.0
CB A:ASP387 4.3 18.2 1.0
NE2 A:HIS377 4.4 15.3 1.0
HB3 A:ASP387 4.4 18.2 1.0
HG2 A:GLU425 4.4 14.7 1.0
CE1 A:HIS377 4.4 16.4 1.0
HG3 A:GLU425 4.4 14.7 1.0
CD1 A:TRP381 4.5 15.9 1.0
OH A:TYR552 4.5 18.6 1.0
C A:3K0818 4.5 15.7 1.0
NE1 A:TRP381 4.6 17.0 1.0
HB2 A:ASP387 4.7 18.2 1.0
HA A:GLU425 4.7 13.8 1.0
CZ A:TYR552 4.7 17.1 1.0
O A:3K0818 4.7 16.8 1.0
HD1 A:HIS553 4.8 14.4 1.0

Zinc binding site 2 out of 2 in 4w9y

Go back to Zinc Binding Sites List in 4w9y
Zinc binding site 2 out of 2 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 Zinc with other atoms in the Zn binding site number 2 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:Zn815

b:17.0
occ:1.00
 OD2 A:ASP453 2.0 16.5 1.0
OD1 A:ASP387 2.0 15.7 1.0
NE2 A:HIS377 2.0 15.3 1.0
NAA A:3K0818 2.2 12.6 1.0
O A:HOH1072 2.4 28.8 1.0
CG A:ASP453 2.7 19.0 1.0
OD1 A:ASP453 2.7 18.4 1.0
CG A:ASP387 2.9 17.3 1.0
CE1 A:HIS377 3.0 16.4 1.0
CD2 A:HIS377 3.1 14.0 1.0
HE1 A:HIS377 3.2 16.4 1.0
SAN A:3K0818 3.2 15.7 1.0
HD2 A:HIS377 3.3 14.0 1.0
OAD A:3K0818 3.3 15.7 1.0
ZN A:ZN814 3.3 16.1 1.0
OD2 A:ASP387 3.3 17.0 1.0
HD21 A:ASN519 3.5 14.4 1.0
HB3 A:PRO388 3.5 14.8 1.0
OE2 A:GLU425 3.8 14.6 1.0
OE1 A:GLU424 3.8 15.5 1.0
HG A:SER454 4.0 18.6 0.8
ND1 A:HIS377 4.1 16.1 1.0
OAE A:3K0818 4.2 16.8 1.0
CB A:ASP453 4.2 15.8 1.0
HA A:ASP387 4.2 17.4 1.0
CG A:HIS377 4.2 14.5 1.0
CB A:ASP387 4.2 18.2 1.0
HA A:PRO388 4.2 15.3 1.0
ND2 A:ASN519 4.3 14.4 1.0
CD A:GLU424 4.3 14.3 1.0
H A:SER454 4.3 18.2 0.8
H A:SER454 4.3 18.2 0.2
CB A:PRO388 4.4 14.8 1.0
N A:3K0818 4.4 14.5 1.0
HB2 A:ASP453 4.4 15.8 1.0
OE2 A:GLU424 4.5 14.8 1.0
HB3 A:ASP453 4.5 15.8 1.0
O A:HOH1329 4.5 32.1 1.0
CD A:GLU425 4.5 15.2 1.0
HB2 A:ASP387 4.6 18.2 1.0
CA A:ASP387 4.6 17.4 1.0
OG A:SER454 4.6 16.9 0.8
HD22 A:ASN519 4.6 14.4 1.0
CA A:PRO388 4.6 15.3 1.0
O A:HOH1093 4.7 33.6 1.0
C A:ASP387 4.7 17.7 1.0
N A:PRO388 4.8 16.5 1.0
OE1 A:GLU425 4.8 15.3 1.0
HB2 A:PRO388 4.9 14.8 1.0
HD1 A:HIS377 4.9 16.1 1.0
HB3 A:ASP387 4.9 18.2 1.0
HA A:ASP453 5.0 16.7 1.0
HB3 A:SER454 5.0 19.3 0.2

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: Sun Oct 27 09:43:50 2024

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