Zinc in PDB 6oiu: X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350)
Enzymatic activity of X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350)
All present enzymatic activity of X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350):
3.4.11.2;
Protein crystallography data
The structure of X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350), PDB code: 6oiu
was solved by
S.Mcgowan,
N.Drinkwater,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.54 /
2.20
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
92.930,
207.874,
102.867,
90.00,
94.34,
90.00
|
R / Rfree (%)
|
19 /
23.6
|
Zinc Binding Sites:
The binding sites of Zinc atom in the X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350)
(pdb code 6oiu). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350), PDB code: 6oiu:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 6oiu
Go back to
Zinc Binding Sites List in 6oiu
Zinc binding site 1 out
of 8 in the X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn2001
b:16.7
occ:1.00
|
OE2
|
A:GLU858
|
2.0
|
19.3
|
1.0
|
NE2
|
A:HIS839
|
2.1
|
17.6
|
1.0
|
NE2
|
A:HIS835
|
2.1
|
23.3
|
1.0
|
ZN
|
A:ZN2002
|
2.3
|
56.4
|
1.0
|
CD
|
A:GLU858
|
2.8
|
15.8
|
1.0
|
CD2
|
A:HIS839
|
2.9
|
17.5
|
1.0
|
OE1
|
A:GLU858
|
3.0
|
22.0
|
1.0
|
CE1
|
A:HIS835
|
3.0
|
18.1
|
1.0
|
CE1
|
A:HIS839
|
3.1
|
22.4
|
1.0
|
CD2
|
A:HIS835
|
3.2
|
20.2
|
1.0
|
O
|
A:HOH2134
|
3.9
|
19.6
|
1.0
|
CE2
|
A:TYR919
|
3.9
|
16.6
|
1.0
|
OH
|
A:TYR919
|
4.0
|
17.3
|
1.0
|
CG
|
A:HIS839
|
4.1
|
19.6
|
1.0
|
ND1
|
A:HIS835
|
4.2
|
18.0
|
1.0
|
ND1
|
A:HIS839
|
4.2
|
19.5
|
1.0
|
CG
|
A:GLU858
|
4.3
|
15.7
|
1.0
|
CG
|
A:HIS835
|
4.3
|
20.3
|
1.0
|
CZ
|
A:TYR919
|
4.3
|
20.1
|
1.0
|
OE1
|
A:GLU802
|
4.5
|
20.9
|
1.0
|
CA
|
A:GLU858
|
4.7
|
14.0
|
1.0
|
CB
|
A:GLU858
|
4.8
|
15.1
|
1.0
|
OE2
|
A:GLU836
|
4.8
|
23.2
|
1.0
|
CG2
|
A:THR861
|
4.8
|
18.0
|
1.0
|
OE2
|
A:GLU802
|
4.8
|
22.2
|
1.0
|
CD2
|
A:TYR919
|
4.9
|
16.8
|
1.0
|
CB
|
A:THR861
|
4.9
|
17.0
|
1.0
|
CD
|
A:GLU802
|
4.9
|
22.9
|
1.0
|
|
Zinc binding site 2 out
of 8 in 6oiu
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Zinc Binding Sites List in 6oiu
Zinc binding site 2 out
of 8 in the X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn2002
b:56.4
occ:1.00
|
ZN
|
A:ZN2001
|
2.3
|
16.7
|
1.0
|
O
|
A:HOH2134
|
2.9
|
19.6
|
1.0
|
NE2
|
A:HIS835
|
3.4
|
23.3
|
1.0
|
OE2
|
A:GLU836
|
3.6
|
23.2
|
1.0
|
OH
|
A:TYR919
|
3.6
|
17.3
|
1.0
|
OE1
|
A:GLU802
|
3.7
|
20.9
|
1.0
|
NE2
|
A:HIS839
|
3.7
|
17.6
|
1.0
|
OE2
|
A:GLU858
|
3.7
|
19.3
|
1.0
|
CD2
|
A:HIS835
|
3.8
|
20.2
|
1.0
|
C1
|
A:GOL2005
|
3.8
|
37.5
|
1.0
|
O
|
A:ALA800
|
3.9
|
23.1
|
1.0
|
CD2
|
A:HIS839
|
4.0
|
17.5
|
1.0
|
CE
|
A:MET798
|
4.0
|
40.4
|
1.0
|
OE1
|
A:GLU858
|
4.0
|
22.0
|
1.0
|
O1
|
A:GOL2005
|
4.1
|
41.5
|
1.0
|
OE1
|
A:GLU836
|
4.2
|
20.0
|
1.0
|
CD
|
A:GLU858
|
4.3
|
15.8
|
1.0
|
CD
|
A:GLU836
|
4.3
|
19.9
|
1.0
|
CE2
|
A:TYR919
|
4.3
|
16.6
|
1.0
|
C2
|
A:GOL2005
|
4.4
|
39.8
|
1.0
|
CZ
|
A:TYR919
|
4.5
|
20.1
|
1.0
|
CE1
|
A:HIS835
|
4.5
|
18.1
|
1.0
|
CD
|
A:GLU802
|
4.6
|
22.9
|
1.0
|
C3
|
A:GOL2005
|
4.7
|
39.6
|
1.0
|
OE2
|
A:GLU802
|
4.8
|
22.2
|
1.0
|
CE1
|
A:HIS839
|
4.9
|
22.4
|
1.0
|
C
|
A:ALA800
|
5.0
|
20.4
|
1.0
|
|
Zinc binding site 3 out
of 8 in 6oiu
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Zinc Binding Sites List in 6oiu
Zinc binding site 3 out
of 8 in the X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn1501
b:18.7
occ:1.00
|
NE2
|
B:HIS839
|
2.0
|
12.8
|
1.0
|
OE2
|
B:GLU858
|
2.0
|
17.3
|
1.0
|
NE2
|
B:HIS835
|
2.1
|
23.7
|
1.0
|
ZN
|
B:ZN1502
|
2.3
|
62.7
|
1.0
|
CD
|
B:GLU858
|
2.9
|
18.5
|
1.0
|
CD2
|
B:HIS839
|
2.9
|
16.4
|
1.0
|
OE1
|
B:GLU858
|
3.0
|
15.9
|
1.0
|
CE1
|
B:HIS839
|
3.0
|
16.9
|
1.0
|
CD2
|
B:HIS835
|
3.0
|
19.7
|
1.0
|
CE1
|
B:HIS835
|
3.1
|
19.4
|
1.0
|
O
|
B:HOH1666
|
3.7
|
20.2
|
1.0
|
CE2
|
B:TYR919
|
3.9
|
26.1
|
1.0
|
CG
|
B:HIS839
|
4.1
|
13.9
|
1.0
|
ND1
|
B:HIS839
|
4.1
|
12.2
|
1.0
|
OH
|
B:TYR919
|
4.1
|
23.2
|
1.0
|
ND1
|
B:HIS835
|
4.2
|
19.9
|
1.0
|
CG
|
B:HIS835
|
4.2
|
20.7
|
1.0
|
CG
|
B:GLU858
|
4.3
|
19.0
|
1.0
|
CZ
|
B:TYR919
|
4.4
|
22.5
|
1.0
|
OE1
|
B:GLU802
|
4.5
|
16.4
|
1.0
|
OE2
|
B:GLU802
|
4.6
|
21.5
|
1.0
|
CA
|
B:GLU858
|
4.7
|
17.2
|
1.0
|
CG2
|
B:THR861
|
4.7
|
16.8
|
1.0
|
OE2
|
B:GLU836
|
4.7
|
21.7
|
1.0
|
CD
|
B:GLU802
|
4.8
|
18.4
|
1.0
|
CD2
|
B:TYR919
|
4.8
|
19.3
|
1.0
|
CB
|
B:THR861
|
4.8
|
18.1
|
1.0
|
CB
|
B:GLU858
|
4.9
|
15.3
|
1.0
|
|
Zinc binding site 4 out
of 8 in 6oiu
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Zinc Binding Sites List in 6oiu
Zinc binding site 4 out
of 8 in the X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn1502
b:62.7
occ:1.00
|
ZN
|
B:ZN1501
|
2.3
|
18.7
|
1.0
|
O
|
B:HOH1666
|
2.9
|
20.2
|
1.0
|
OH
|
B:TYR919
|
3.4
|
23.2
|
1.0
|
NE2
|
B:HIS835
|
3.4
|
23.7
|
1.0
|
OE2
|
B:GLU858
|
3.5
|
17.3
|
1.0
|
NE2
|
B:HIS839
|
3.7
|
12.8
|
1.0
|
CD2
|
B:HIS835
|
3.8
|
19.7
|
1.0
|
OE2
|
B:GLU836
|
3.8
|
21.7
|
1.0
|
C1
|
B:GOL1505
|
3.9
|
42.5
|
1.0
|
CE2
|
B:TYR919
|
3.9
|
26.1
|
1.0
|
OE1
|
B:GLU802
|
3.9
|
16.4
|
1.0
|
OE1
|
B:GLU858
|
4.0
|
15.9
|
1.0
|
CZ
|
B:TYR919
|
4.1
|
22.5
|
1.0
|
CD
|
B:GLU858
|
4.1
|
18.5
|
1.0
|
CD2
|
B:HIS839
|
4.2
|
16.4
|
1.0
|
O
|
B:ALA800
|
4.2
|
25.9
|
1.0
|
O1
|
B:GOL1505
|
4.3
|
39.5
|
1.0
|
C3
|
B:GOL1505
|
4.3
|
36.6
|
1.0
|
C2
|
B:GOL1505
|
4.3
|
44.1
|
1.0
|
OE1
|
B:GLU836
|
4.4
|
23.8
|
1.0
|
CE1
|
B:HIS835
|
4.5
|
19.4
|
1.0
|
CD
|
B:GLU836
|
4.5
|
23.1
|
1.0
|
CD
|
B:GLU802
|
4.7
|
18.4
|
1.0
|
OE2
|
B:GLU802
|
4.8
|
21.5
|
1.0
|
CE1
|
B:HIS839
|
4.9
|
16.9
|
1.0
|
|
Zinc binding site 5 out
of 8 in 6oiu
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Zinc Binding Sites List in 6oiu
Zinc binding site 5 out
of 8 in the X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn1501
b:16.2
occ:1.00
|
OE2
|
C:GLU858
|
2.0
|
16.2
|
1.0
|
NE2
|
C:HIS839
|
2.0
|
16.8
|
1.0
|
NE2
|
C:HIS835
|
2.1
|
14.9
|
1.0
|
ZN
|
C:ZN1502
|
2.2
|
51.1
|
1.0
|
CD
|
C:GLU858
|
2.8
|
16.7
|
1.0
|
CD2
|
C:HIS839
|
2.9
|
14.3
|
1.0
|
OE1
|
C:GLU858
|
3.0
|
13.0
|
1.0
|
CE1
|
C:HIS835
|
3.0
|
17.8
|
1.0
|
CE1
|
C:HIS839
|
3.1
|
16.5
|
1.0
|
CD2
|
C:HIS835
|
3.1
|
14.9
|
1.0
|
O
|
C:HOH1763
|
3.7
|
10.7
|
1.0
|
CE2
|
C:TYR919
|
3.9
|
18.3
|
1.0
|
OH
|
C:TYR919
|
4.1
|
19.9
|
1.0
|
CG
|
C:HIS839
|
4.1
|
13.9
|
1.0
|
ND1
|
C:HIS839
|
4.1
|
12.3
|
1.0
|
ND1
|
C:HIS835
|
4.2
|
13.5
|
1.0
|
CG
|
C:HIS835
|
4.2
|
16.0
|
1.0
|
CG
|
C:GLU858
|
4.3
|
16.5
|
1.0
|
CZ
|
C:TYR919
|
4.4
|
21.0
|
1.0
|
OE1
|
C:GLU802
|
4.4
|
11.4
|
1.0
|
O2
|
C:GOL1503
|
4.6
|
32.7
|
1.0
|
CA
|
C:GLU858
|
4.6
|
12.9
|
1.0
|
CG2
|
C:THR861
|
4.7
|
13.3
|
1.0
|
CB
|
C:THR861
|
4.7
|
16.0
|
1.0
|
CB
|
C:GLU858
|
4.8
|
13.3
|
1.0
|
OE2
|
C:GLU802
|
4.8
|
14.0
|
1.0
|
CD
|
C:GLU802
|
4.9
|
13.7
|
1.0
|
OE2
|
C:GLU836
|
4.9
|
12.4
|
1.0
|
CD2
|
C:TYR919
|
4.9
|
15.3
|
1.0
|
|
Zinc binding site 6 out
of 8 in 6oiu
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Zinc Binding Sites List in 6oiu
Zinc binding site 6 out
of 8 in the X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn1502
b:51.1
occ:1.00
|
ZN
|
C:ZN1501
|
2.2
|
16.2
|
1.0
|
O
|
C:HOH1763
|
2.8
|
10.7
|
1.0
|
NE2
|
C:HIS835
|
3.4
|
14.9
|
1.0
|
OH
|
C:TYR919
|
3.5
|
19.9
|
1.0
|
OE2
|
C:GLU858
|
3.5
|
16.2
|
1.0
|
O2
|
C:GOL1503
|
3.5
|
32.7
|
1.0
|
NE2
|
C:HIS839
|
3.7
|
16.8
|
1.0
|
OE1
|
C:GLU802
|
3.7
|
11.4
|
1.0
|
OE2
|
C:GLU836
|
3.8
|
12.4
|
1.0
|
C3
|
C:GOL1503
|
3.8
|
31.3
|
1.0
|
CD2
|
C:HIS835
|
3.8
|
14.9
|
1.0
|
OE1
|
C:GLU858
|
3.9
|
13.0
|
1.0
|
CD2
|
C:HIS839
|
4.0
|
14.3
|
1.0
|
CD
|
C:GLU858
|
4.1
|
16.7
|
1.0
|
CE2
|
C:TYR919
|
4.1
|
18.3
|
1.0
|
C2
|
C:GOL1503
|
4.2
|
32.7
|
1.0
|
OE1
|
C:GLU836
|
4.2
|
15.1
|
1.0
|
O
|
C:ALA800
|
4.2
|
16.5
|
1.0
|
CZ
|
C:TYR919
|
4.3
|
21.0
|
1.0
|
CD
|
C:GLU836
|
4.4
|
16.0
|
1.0
|
CE1
|
C:HIS835
|
4.5
|
17.8
|
1.0
|
CD
|
C:GLU802
|
4.6
|
13.7
|
1.0
|
C1
|
C:GOL1503
|
4.8
|
34.6
|
1.0
|
O
|
C:HOH1603
|
4.9
|
32.3
|
1.0
|
OE2
|
C:GLU802
|
4.9
|
14.0
|
1.0
|
CE1
|
C:HIS839
|
4.9
|
16.5
|
1.0
|
|
Zinc binding site 7 out
of 8 in 6oiu
Go back to
Zinc Binding Sites List in 6oiu
Zinc binding site 7 out
of 8 in the X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn1501
b:32.6
occ:1.00
|
OE1
|
D:GLU858
|
2.0
|
34.5
|
1.0
|
NE2
|
D:HIS839
|
2.0
|
31.6
|
1.0
|
NE2
|
D:HIS835
|
2.2
|
26.9
|
1.0
|
ZN
|
D:ZN1502
|
2.4
|
78.3
|
1.0
|
CD
|
D:GLU858
|
2.8
|
34.2
|
1.0
|
CE1
|
D:HIS839
|
2.9
|
27.7
|
1.0
|
OE2
|
D:GLU858
|
2.9
|
30.2
|
1.0
|
CE1
|
D:HIS835
|
3.1
|
30.2
|
1.0
|
CD2
|
D:HIS839
|
3.1
|
26.5
|
1.0
|
CD2
|
D:HIS835
|
3.2
|
25.9
|
1.0
|
CE2
|
D:TYR919
|
3.8
|
33.0
|
1.0
|
OH
|
D:TYR919
|
3.8
|
35.8
|
1.0
|
O
|
D:HOH1609
|
4.0
|
27.9
|
1.0
|
ND1
|
D:HIS839
|
4.1
|
28.3
|
1.0
|
CG
|
D:HIS839
|
4.2
|
27.4
|
1.0
|
CZ
|
D:TYR919
|
4.2
|
34.5
|
1.0
|
ND1
|
D:HIS835
|
4.2
|
24.1
|
1.0
|
CG
|
D:GLU858
|
4.2
|
34.3
|
1.0
|
CG
|
D:HIS835
|
4.3
|
26.4
|
1.0
|
OE1
|
D:GLU802
|
4.4
|
30.1
|
1.0
|
CA
|
D:GLU858
|
4.7
|
26.1
|
1.0
|
CB
|
D:GLU858
|
4.7
|
26.8
|
1.0
|
CD2
|
D:TYR919
|
4.8
|
28.5
|
1.0
|
OE2
|
D:GLU836
|
4.8
|
30.2
|
1.0
|
CG2
|
D:THR861
|
4.9
|
26.7
|
1.0
|
CB
|
D:THR861
|
4.9
|
29.3
|
1.0
|
CD
|
D:GLU802
|
4.9
|
30.8
|
1.0
|
OE2
|
D:GLU802
|
4.9
|
24.3
|
1.0
|
|
Zinc binding site 8 out
of 8 in 6oiu
Go back to
Zinc Binding Sites List in 6oiu
Zinc binding site 8 out
of 8 in the X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of X-Ray Crystal Structure of the Ectodomain of the Toxoplasma Gondii ME49 Aminopeptidase N (TGME49_224350) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn1502
b:78.3
occ:1.00
|
ZN
|
D:ZN1501
|
2.4
|
32.6
|
1.0
|
O
|
D:HOH1609
|
3.0
|
27.9
|
1.0
|
OH
|
D:TYR919
|
3.4
|
35.8
|
1.0
|
NE2
|
D:HIS835
|
3.5
|
26.9
|
1.0
|
OE2
|
D:GLU836
|
3.7
|
30.2
|
1.0
|
NE2
|
D:HIS839
|
3.7
|
31.6
|
1.0
|
OE1
|
D:GLU802
|
3.7
|
30.1
|
1.0
|
OE1
|
D:GLU858
|
3.7
|
34.5
|
1.0
|
CD2
|
D:HIS835
|
4.0
|
25.9
|
1.0
|
OE2
|
D:GLU858
|
4.0
|
30.2
|
1.0
|
O
|
D:ALA800
|
4.0
|
34.5
|
1.0
|
CE
|
D:MET798
|
4.0
|
39.7
|
1.0
|
CD2
|
D:HIS839
|
4.1
|
26.5
|
1.0
|
CE2
|
D:TYR919
|
4.2
|
33.0
|
1.0
|
OE1
|
D:GLU836
|
4.2
|
33.3
|
1.0
|
CD
|
D:GLU858
|
4.2
|
34.2
|
1.0
|
CZ
|
D:TYR919
|
4.3
|
34.5
|
1.0
|
CD
|
D:GLU836
|
4.4
|
28.0
|
1.0
|
O
|
D:HOH1924
|
4.4
|
39.4
|
1.0
|
O
|
D:HOH1979
|
4.5
|
38.3
|
1.0
|
CE1
|
D:HIS835
|
4.7
|
30.2
|
1.0
|
CD
|
D:GLU802
|
4.7
|
30.8
|
1.0
|
CE1
|
D:HIS839
|
4.9
|
27.7
|
1.0
|
|
Reference:
E.M.Marijanovic,
K.Weronika Swiderska,
J.Andersen,
J.C.Aschenbrenner,
C.T.Webb,
M.Drag,
N.Drinkwater,
S.Mcgowan.
X-Ray Crystal Structure and Specificity of the Toxoplasma Gondii ME49 TGAPN2. Biochem.J. V. 477 3819 2020.
ISSN: ESSN 1470-8728
PubMed: 32926129
DOI: 10.1042/BCJ20200569
Page generated: Tue Oct 29 04:25:52 2024
|