Zinc in PDB 6sgp: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Sulfamide Inhibitor Gluglu

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Sulfamide Inhibitor Gluglu

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Sulfamide Inhibitor Gluglu:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Sulfamide Inhibitor Gluglu, PDB code: 6sgp was solved by C.Barinka, S.Shukla, L.Motlova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.90 / 1.58
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.349, 130.394, 158.538, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 20.1

Other elements in 6sgp:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Sulfamide Inhibitor Gluglu also contains other interesting chemical elements:

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

Zinc Binding Sites:

The binding sites of Zinc atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Sulfamide Inhibitor Gluglu (pdb code 6sgp). 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) - the E424M Inactive Mutant, in Complex with A Sulfamide Inhibitor Gluglu, PDB code: 6sgp:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6sgp

Go back to Zinc Binding Sites List in 6sgp
Zinc binding site 1 out of 2 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Sulfamide Inhibitor Gluglu


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) - the E424M Inactive Mutant, in Complex with A Sulfamide Inhibitor Gluglu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn819

b:21.5
occ:1.00
 OD2 A:ASP387 2.0 22.4 1.0
NE2 A:HIS553 2.0 19.6 1.0
O A:HOH1006 2.0 21.6 1.0
OE2 A:GLU425 2.0 20.6 1.0
OE1 A:GLU425 2.5 19.7 1.0
CD A:GLU425 2.6 17.9 1.0
OAF A:LDK826 2.8 33.6 1.0
CG A:ASP387 2.9 23.6 1.0
CE1 A:HIS553 3.0 19.6 1.0
CD2 A:HIS553 3.0 21.7 1.0
OD1 A:ASP387 3.2 19.5 1.0
ZN A:ZN820 3.3 21.6 1.0
SAW A:LDK826 3.9 38.9 1.0
OAE A:LDK826 4.0 34.4 1.0
O A:HOH970 4.0 20.6 1.0
ND1 A:HIS553 4.1 20.0 1.0
CG A:GLU425 4.1 18.5 1.0
CG A:HIS553 4.1 19.9 1.0
CE1 A:TYR552 4.2 23.7 1.0
CAV A:LDK826 4.2 30.1 1.0
CB A:ASP387 4.3 22.5 1.0
NE2 A:HIS377 4.4 20.6 1.0
OH A:TYR552 4.5 25.8 1.0
NAP A:LDK826 4.5 32.0 1.0
CE1 A:HIS377 4.5 19.3 1.0
CD1 A:TRP381 4.5 22.0 1.0
CZ A:TYR552 4.7 24.5 1.0
NE1 A:TRP381 4.7 22.3 1.0
CAT A:LDK826 4.7 28.1 1.0
SD A:MET424 4.8 22.3 1.0
OAD A:LDK826 4.8 27.3 1.0

Zinc binding site 2 out of 2 in 6sgp

Go back to Zinc Binding Sites List in 6sgp
Zinc binding site 2 out of 2 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Sulfamide Inhibitor Gluglu


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) - the E424M Inactive Mutant, in Complex with A Sulfamide Inhibitor Gluglu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn820

b:21.6
occ:1.00
 O A:HOH1006 1.9 21.6 1.0
OD1 A:ASP387 2.0 19.5 1.0
OD2 A:ASP453 2.0 20.1 1.0
NE2 A:HIS377 2.0 20.6 1.0
CG A:ASP453 2.7 21.6 1.0
OD1 A:ASP453 2.7 23.9 1.0
CG A:ASP387 2.9 23.6 1.0
CE1 A:HIS377 3.0 19.3 1.0
CD2 A:HIS377 3.0 18.6 1.0
ZN A:ZN819 3.3 21.5 1.0
OD2 A:ASP387 3.3 22.4 1.0
OAE A:LDK826 3.4 34.4 1.0
OE2 A:GLU425 3.8 20.6 1.0
CE A:MET424 3.8 20.8 1.0
O A:HOH907 4.0 53.3 1.0
SD A:MET424 4.1 22.3 1.0
ND1 A:HIS377 4.1 20.0 1.0
CB A:ASP453 4.2 19.9 1.0
CG A:HIS377 4.2 18.1 1.0
CB A:ASP387 4.2 22.5 1.0
CB A:PRO388 4.3 19.4 1.0
ND2 A:ASN519 4.5 19.5 1.0
OAF A:LDK826 4.5 33.6 1.0
SAW A:LDK826 4.5 38.9 1.0
CD A:GLU425 4.5 17.9 1.0
CA A:PRO388 4.6 20.2 1.0
CA A:ASP387 4.6 22.1 1.0
OG A:SER454 4.7 21.6 0.9
C A:ASP387 4.7 22.8 1.0
N A:PRO388 4.7 20.5 1.0
OE1 A:GLU425 4.8 19.7 1.0

Reference:

C.Barinka, S.Shukla, L.Motlova. X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Sulfamide Inhibitor Gluglu To Be Published.
Page generated: Wed Dec 16 12:47:53 2020

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