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Zinc in PDB 4lqg: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056:
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 CTT1056, PDB code: 4lqg was solved by C.Barinka, L.Skultetyova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.51 / 1.77
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.900, 130.233, 158.252, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 18.2

Other elements in 4lqg:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056 also contains other interesting chemical elements:

Fluorine (F) 1 atom
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 CTT1056 (pdb code 4lqg). 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 CTT1056, PDB code: 4lqg:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4lqg

Go back to Zinc Binding Sites List in 4lqg
Zinc binding site 1 out of 2 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056


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 CTT1056 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:12.7
occ:1.00
 OD2 A:ASP387 2.0 14.1 1.0
NE2 A:HIS553 2.0 12.9 1.0
OAL A:CTW823 2.0 13.6 1.0
OE2 A:GLU425 2.0 12.0 1.0
OE1 A:GLU425 2.5 11.6 1.0
CD A:GLU425 2.6 12.3 1.0
CE1 A:HIS553 2.9 12.0 1.0
CG A:ASP387 3.0 14.8 1.0
PBN A:CTW823 3.0 13.7 1.0
OAG A:CTW823 3.0 13.7 1.0
CD2 A:HIS553 3.0 12.8 1.0
OD1 A:ASP387 3.3 11.2 1.0
ZN A:ZN802 3.7 13.2 1.0
CE1 A:TYR552 3.7 11.4 1.0
O A:HOH915 3.8 15.5 1.0
OH A:TYR552 4.0 12.7 1.0
CBM A:CTW823 4.0 12.8 1.0
ND1 A:HIS553 4.0 12.8 1.0
NBA A:CTW823 4.0 11.8 1.0
CG A:GLU425 4.1 10.2 1.0
CG A:HIS553 4.1 12.9 1.0
OBB A:CTW823 4.1 15.3 1.0
CZ A:TYR552 4.2 12.4 1.0
CB A:ASP387 4.3 13.1 1.0
CBF A:CTW823 4.4 13.5 1.0
CD1 A:TRP381 4.5 16.4 1.0
OE1 A:GLU424 4.5 10.1 1.0
OAK A:CTW823 4.5 14.0 1.0
NE1 A:TRP381 4.7 15.2 1.0
CD1 A:TYR552 4.7 12.2 1.0
NE2 A:HIS377 4.8 12.5 1.0
CE1 A:HIS377 4.8 11.6 1.0
CAS A:CTW823 4.9 16.5 1.0
OAD A:CTW823 5.0 12.7 1.0

Zinc binding site 2 out of 2 in 4lqg

Go back to Zinc Binding Sites List in 4lqg
Zinc binding site 2 out of 2 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056


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 CTT1056 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn802

b:13.2
occ:1.00
 OAG A:CTW823 1.9 13.7 1.0
OD1 A:ASP387 1.9 11.2 1.0
OD2 A:ASP453 2.0 13.8 1.0
NE2 A:HIS377 2.0 12.5 1.0
CG A:ASP453 2.7 14.0 1.0
OD1 A:ASP453 2.8 13.6 1.0
CE1 A:HIS377 3.0 11.6 1.0
CG A:ASP387 3.0 14.8 1.0
CD2 A:HIS377 3.0 9.2 1.0
PBN A:CTW823 3.3 13.7 1.0
OD2 A:ASP387 3.4 14.1 1.0
OE2 A:GLU425 3.5 12.0 1.0
ZN A:ZN801 3.7 12.7 1.0
OE1 A:GLU424 3.8 10.1 1.0
OBB A:CTW823 3.8 15.3 1.0
ND2 A:ASN519 4.0 12.7 1.0
OAL A:CTW823 4.1 13.6 1.0
ND1 A:HIS377 4.1 12.4 1.0
CG A:HIS377 4.1 10.6 1.0
CD A:GLU424 4.2 11.1 1.0
CB A:ASP453 4.2 11.0 1.0
CB A:ASP387 4.2 13.1 1.0
OE2 A:GLU424 4.3 10.9 1.0
CD A:GLU425 4.4 12.3 1.0
CB A:PRO388 4.4 12.0 1.0
NBA A:CTW823 4.5 11.8 1.0
CA A:ASP387 4.6 13.9 1.0
CA A:PRO388 4.6 12.2 1.0
O A:HOH1421 4.6 29.0 1.0
C A:ASP387 4.6 13.1 1.0
OG A:SER454 4.7 9.1 0.8
N A:PRO388 4.7 12.5 1.0
CG A:ASN519 4.9 14.3 1.0
O A:HOH1439 5.0 47.0 1.0
OE1 A:GLU425 5.0 11.6 1.0
OD1 A:ASN519 5.0 13.2 1.0

Reference:

S.Dannoon, T.Ganguly, H.Cahaya, J.G.Geruntho, M.R.Hopkins, M.Regan, J.E.Blecha, S.Jivan, C.Barinka, E.F.Jones, H.F.Vanbrocklin, C.E.Berkman. Structure-Activity Relationship of 18F-Labeled Phosphoramidate Peptidomimetic Psma-Targeted Inhibitor Analogues For Pet Imaging of Prostate Cancer To Be Published.
Page generated: Sun Oct 27 02:04:41 2024

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