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:
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
|