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Zinc in PDB 4p4b: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT54

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT54

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT54:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT54, PDB code: 4p4b was solved by C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.82 / 1.93
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.634, 130.307, 158.577, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / 17.8

Other elements in 4p4b:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT54 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 Phosphoramidate Inhibitor CTT54 (pdb code 4p4b). 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 Phosphoramidate Inhibitor CTT54, PDB code: 4p4b:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4p4b

Go back to Zinc Binding Sites List in 4p4b
Zinc binding site 1 out of 2 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT54


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 Phosphoramidate Inhibitor CTT54 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:19.1
occ:1.00
 OAG A:2G2820 2.0 17.6 1.0
OD2 A:ASP387 2.0 22.7 1.0
NE2 A:HIS553 2.0 17.2 1.0
OE2 A:GLU425 2.1 16.3 1.0
OE1 A:GLU425 2.5 15.3 1.0
CD A:GLU425 2.6 17.7 1.0
PBC A:2G2820 2.9 19.6 1.0
CE1 A:HIS553 3.0 18.2 1.0
CG A:ASP387 3.0 20.7 1.0
OAL A:2G2820 3.0 17.3 1.0
CD2 A:HIS553 3.0 18.2 1.0
OD1 A:ASP387 3.4 18.5 1.0
ZN A:ZN802 3.6 20.2 1.0
CE1 A:TYR552 3.7 17.1 1.0
O A:HOH1010 3.8 18.4 1.0
OH A:TYR552 4.0 18.4 1.0
CBB A:2G2820 4.0 18.1 1.0
NAS A:2G2820 4.0 18.9 1.0
ND1 A:HIS553 4.1 17.7 1.0
OAT A:2G2820 4.1 17.2 1.0
CG A:GLU425 4.2 16.4 1.0
CG A:HIS553 4.2 18.6 1.0
CZ A:TYR552 4.2 18.5 1.0
CB A:ASP387 4.2 16.9 1.0
CAY A:2G2820 4.4 17.1 1.0
OE1 A:GLU424 4.5 15.6 1.0
CD1 A:TRP381 4.5 22.2 1.0
OAK A:2G2820 4.6 18.5 1.0
NE1 A:TRP381 4.7 20.6 1.0
CD1 A:TYR552 4.7 19.5 1.0
NE2 A:HIS377 4.8 14.8 1.0
CE1 A:HIS377 4.8 17.2 1.0
O A:HOH1397 4.9 43.4 1.0

Zinc binding site 2 out of 2 in 4p4b

Go back to Zinc Binding Sites List in 4p4b
Zinc binding site 2 out of 2 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT54


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 Phosphoramidate Inhibitor CTT54 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn802

b:20.2
occ:1.00
 OAL A:2G2820 1.9 17.3 1.0
OD2 A:ASP453 1.9 21.2 1.0
NE2 A:HIS377 2.0 14.8 1.0
OD1 A:ASP387 2.0 18.5 1.0
CG A:ASP453 2.7 18.8 1.0
OD1 A:ASP453 2.8 21.1 1.0
CE1 A:HIS377 2.9 17.2 1.0
CG A:ASP387 3.0 20.7 1.0
CD2 A:HIS377 3.0 13.8 1.0
PBC A:2G2820 3.3 19.6 1.0
OD2 A:ASP387 3.4 22.7 1.0
OE2 A:GLU425 3.6 16.3 1.0
ZN A:ZN801 3.6 19.1 1.0
O A:HOH1397 3.7 43.4 1.0
OE1 A:GLU424 3.8 15.6 1.0
OAT A:2G2820 3.9 17.2 1.0
OAG A:2G2820 4.0 17.6 1.0
ND1 A:HIS377 4.1 18.2 1.0
CD A:GLU424 4.1 17.1 1.0
ND2 A:ASN519 4.1 17.1 1.0
CG A:HIS377 4.2 15.2 1.0
CB A:ASP453 4.2 18.7 1.0
OE2 A:GLU424 4.2 16.1 1.0
CB A:ASP387 4.3 16.9 1.0
CB A:PRO388 4.3 17.7 1.0
CD A:GLU425 4.4 17.7 1.0
NAS A:2G2820 4.4 18.9 1.0
CA A:PRO388 4.5 16.4 1.0
CA A:ASP387 4.6 18.1 1.0
C A:ASP387 4.7 16.8 1.0
N A:PRO388 4.7 17.2 1.0
OG A:SER454 4.7 21.2 1.0
OE1 A:GLU425 4.9 15.3 1.0
CG A:ASN519 5.0 20.1 1.0
OD1 A:ASN519 5.0 18.9 1.0

Reference:

C.Barinka, C.Barinka. N/A N/A.
Page generated: Sun Oct 27 04:14:22 2024

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