Zinc in PDB 7rie: Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571
Enzymatic activity of Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571
All present enzymatic activity of Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571:
3.4.11.1;
Protein crystallography data
The structure of Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571, PDB code: 7rie
was solved by
C.T.Webb,
S.Mcgowan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
48.75 /
2.49
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
175.29,
175.858,
234.679,
90,
90,
90
|
|
R / Rfree (%)
|
19.5 /
22.9
|
Zinc Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
24;
Binding sites:
The binding sites of Zinc atom in the Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571
(pdb code 7rie). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 24 binding sites of Zinc where determined in the
Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571, PDB code: 7rie:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Zinc binding site 1 out
of 24 in 7rie
Go back to
Zinc Binding Sites List in 7rie
Zinc binding site 1 out
of 24 in the Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn702
b:39.3
occ:1.00
|
O11
|
A:5IF705
|
2.0
|
37.5
|
1.0
|
|
OD2
|
A:ASP399
|
2.1
|
37.0
|
1.0
|
|
OE2
|
A:GLU461
|
2.2
|
33.5
|
1.0
|
|
O
|
A:HOH814
|
2.3
|
31.4
|
1.0
|
|
NZ
|
A:LYS374
|
2.3
|
32.5
|
1.0
|
|
OD2
|
A:ASP379
|
2.5
|
36.6
|
1.0
|
|
CG
|
A:ASP399
|
2.9
|
32.1
|
1.0
|
|
N10
|
A:5IF705
|
3.0
|
33.9
|
1.0
|
|
OD1
|
A:ASP399
|
3.1
|
34.4
|
1.0
|
|
CE
|
A:LYS374
|
3.2
|
34.4
|
1.0
|
|
ZN
|
A:ZN703
|
3.2
|
36.3
|
1.0
|
|
CD
|
A:GLU461
|
3.3
|
38.8
|
1.0
|
|
CG
|
A:ASP379
|
3.3
|
31.0
|
1.0
|
|
O12
|
A:5IF705
|
3.7
|
37.9
|
1.0
|
|
C09
|
A:5IF705
|
3.7
|
33.7
|
1.0
|
|
OE1
|
A:GLU461
|
3.8
|
37.6
|
1.0
|
|
CB
|
A:ASP379
|
3.9
|
31.7
|
1.0
|
|
OD1
|
A:ASP379
|
4.2
|
29.0
|
1.0
|
|
O2
|
A:CO3701
|
4.3
|
40.4
|
1.0
|
|
O
|
A:THR486
|
4.3
|
27.9
|
1.0
|
|
CB
|
A:ASP399
|
4.3
|
34.1
|
1.0
|
|
CG1
|
A:ILE376
|
4.4
|
32.8
|
1.0
|
|
CG
|
A:GLU461
|
4.5
|
31.9
|
1.0
|
|
N
|
A:GLY462
|
4.6
|
35.2
|
1.0
|
|
CD
|
A:LYS374
|
4.6
|
35.2
|
1.0
|
|
CB
|
A:ILE376
|
4.7
|
35.5
|
1.0
|
|
O
|
A:ASP459
|
4.7
|
34.5
|
1.0
|
|
CG2
|
A:ILE376
|
4.8
|
25.5
|
1.0
|
|
CA
|
A:GLY462
|
4.8
|
30.9
|
1.0
|
|
Zinc binding site 2 out
of 24 in 7rie
Go back to
Zinc Binding Sites List in 7rie
Zinc binding site 2 out
of 24 in the Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn703
b:36.3
occ:1.00
|
O
|
A:ASP459
|
2.0
|
34.5
|
1.0
|
|
OD2
|
A:ASP379
|
2.1
|
36.6
|
1.0
|
|
O12
|
A:5IF705
|
2.1
|
37.9
|
1.0
|
|
OD1
|
A:ASP459
|
2.1
|
29.1
|
1.0
|
|
OE1
|
A:GLU461
|
2.3
|
37.6
|
1.0
|
|
O11
|
A:5IF705
|
2.4
|
37.5
|
1.0
|
|
C09
|
A:5IF705
|
2.8
|
33.7
|
1.0
|
|
CG
|
A:ASP379
|
2.9
|
31.0
|
1.0
|
|
N10
|
A:5IF705
|
2.9
|
33.9
|
1.0
|
|
OD1
|
A:ASP379
|
3.0
|
29.0
|
1.0
|
|
C
|
A:ASP459
|
3.0
|
31.8
|
1.0
|
|
CG
|
A:ASP459
|
3.1
|
38.0
|
1.0
|
|
CD
|
A:GLU461
|
3.1
|
38.8
|
1.0
|
|
OE2
|
A:GLU461
|
3.2
|
33.5
|
1.0
|
|
ZN
|
A:ZN702
|
3.2
|
39.3
|
1.0
|
|
CA
|
A:ASP459
|
3.5
|
34.5
|
1.0
|
|
O
|
A:HOH814
|
3.7
|
31.4
|
1.0
|
|
CB
|
A:ASP459
|
3.8
|
34.0
|
1.0
|
|
OD2
|
A:ASP459
|
3.9
|
40.3
|
1.0
|
|
NZ
|
A:LYS386
|
4.0
|
34.5
|
1.0
|
|
CE
|
A:LYS386
|
4.2
|
32.7
|
1.0
|
|
C08
|
A:5IF705
|
4.2
|
33.6
|
1.0
|
|
N
|
A:ALA460
|
4.2
|
32.4
|
1.0
|
|
N
|
A:GLU461
|
4.3
|
33.7
|
1.0
|
|
CB
|
A:ASP379
|
4.3
|
31.7
|
1.0
|
|
CG
|
A:GLU461
|
4.6
|
31.9
|
1.0
|
|
N07
|
A:5IF705
|
4.6
|
36.8
|
1.0
|
|
ND2
|
A:ASN432
|
4.6
|
35.0
|
1.0
|
|
CA
|
A:ALA460
|
4.6
|
37.8
|
1.0
|
|
CA
|
A:GLY381
|
4.8
|
30.8
|
1.0
|
|
N
|
A:ASP459
|
4.9
|
36.2
|
1.0
|
|
OD2
|
A:ASP399
|
4.9
|
37.0
|
1.0
|
|
O2
|
A:CO3701
|
4.9
|
40.4
|
1.0
|
|
O
|
A:THR458
|
5.0
|
33.5
|
1.0
|
|
Zinc binding site 3 out
of 24 in 7rie
Go back to
Zinc Binding Sites List in 7rie
Zinc binding site 3 out
of 24 in the Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn702
b:39.9
occ:1.00
|
O11
|
B:5IF706
|
2.0
|
37.3
|
1.0
|
|
OD2
|
B:ASP399
|
2.1
|
34.9
|
1.0
|
|
OE2
|
B:GLU461
|
2.2
|
33.4
|
1.0
|
|
NZ
|
B:LYS374
|
2.4
|
34.7
|
1.0
|
|
O
|
B:HOH838
|
2.4
|
35.5
|
1.0
|
|
OD2
|
B:ASP379
|
2.5
|
31.9
|
1.0
|
|
CG
|
B:ASP399
|
2.9
|
35.0
|
1.0
|
|
N10
|
B:5IF706
|
3.0
|
40.7
|
1.0
|
|
OD1
|
B:ASP399
|
3.0
|
34.0
|
1.0
|
|
ZN
|
B:ZN703
|
3.1
|
38.4
|
1.0
|
|
CE
|
B:LYS374
|
3.2
|
35.3
|
1.0
|
|
CD
|
B:GLU461
|
3.2
|
33.4
|
1.0
|
|
CG
|
B:ASP379
|
3.3
|
33.1
|
1.0
|
|
O12
|
B:5IF706
|
3.4
|
41.4
|
1.0
|
|
C09
|
B:5IF706
|
3.6
|
38.3
|
1.0
|
|
OE1
|
B:GLU461
|
3.6
|
38.6
|
1.0
|
|
CB
|
B:ASP379
|
3.9
|
29.4
|
1.0
|
|
OD1
|
B:ASP379
|
4.2
|
36.8
|
1.0
|
|
O
|
B:THR486
|
4.2
|
40.4
|
1.0
|
|
CB
|
B:ASP399
|
4.3
|
32.5
|
1.0
|
|
O1
|
B:CO3701
|
4.4
|
35.0
|
1.0
|
|
CG1
|
B:ILE376
|
4.5
|
32.3
|
1.0
|
|
CG
|
B:GLU461
|
4.5
|
34.2
|
1.0
|
|
N
|
B:GLY462
|
4.6
|
36.7
|
1.0
|
|
O
|
B:ASP459
|
4.6
|
34.0
|
1.0
|
|
CD
|
B:LYS374
|
4.6
|
34.6
|
1.0
|
|
CB
|
B:ILE376
|
4.8
|
39.5
|
1.0
|
|
CG2
|
B:ILE376
|
4.9
|
33.1
|
1.0
|
|
CA
|
B:GLY462
|
4.9
|
33.6
|
1.0
|
|
C08
|
B:5IF706
|
5.0
|
33.4
|
1.0
|
|
Zinc binding site 4 out
of 24 in 7rie
Go back to
Zinc Binding Sites List in 7rie
Zinc binding site 4 out
of 24 in the Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn703
b:38.4
occ:1.00
|
OD1
|
B:ASP459
|
2.1
|
37.5
|
1.0
|
|
O
|
B:ASP459
|
2.1
|
34.0
|
1.0
|
|
OD2
|
B:ASP379
|
2.1
|
31.9
|
1.0
|
|
O12
|
B:5IF706
|
2.1
|
41.4
|
1.0
|
|
OE1
|
B:GLU461
|
2.2
|
38.6
|
1.0
|
|
O11
|
B:5IF706
|
2.6
|
37.3
|
1.0
|
|
CG
|
B:ASP379
|
2.8
|
33.1
|
1.0
|
|
C09
|
B:5IF706
|
2.9
|
38.3
|
1.0
|
|
OD1
|
B:ASP379
|
2.9
|
36.8
|
1.0
|
|
C
|
B:ASP459
|
3.1
|
36.0
|
1.0
|
|
CD
|
B:GLU461
|
3.1
|
33.4
|
1.0
|
|
CG
|
B:ASP459
|
3.1
|
38.3
|
1.0
|
|
ZN
|
B:ZN702
|
3.1
|
39.9
|
1.0
|
|
N10
|
B:5IF706
|
3.2
|
40.7
|
1.0
|
|
OE2
|
B:GLU461
|
3.2
|
33.4
|
1.0
|
|
CA
|
B:ASP459
|
3.5
|
31.6
|
1.0
|
|
CB
|
B:ASP459
|
3.8
|
34.9
|
1.0
|
|
O
|
B:HOH838
|
3.9
|
35.5
|
1.0
|
|
NZ
|
B:LYS386
|
4.0
|
32.7
|
1.0
|
|
OD2
|
B:ASP459
|
4.0
|
41.0
|
1.0
|
|
CE
|
B:LYS386
|
4.2
|
32.7
|
1.0
|
|
N
|
B:ALA460
|
4.2
|
30.5
|
1.0
|
|
C08
|
B:5IF706
|
4.3
|
33.4
|
1.0
|
|
CB
|
B:ASP379
|
4.3
|
29.4
|
1.0
|
|
N
|
B:GLU461
|
4.3
|
32.7
|
1.0
|
|
CG
|
B:GLU461
|
4.5
|
34.2
|
1.0
|
|
ND2
|
B:ASN432
|
4.6
|
26.6
|
1.0
|
|
N07
|
B:5IF706
|
4.6
|
35.9
|
1.0
|
|
CA
|
B:ALA460
|
4.7
|
33.7
|
1.0
|
|
OD2
|
B:ASP399
|
4.7
|
34.9
|
1.0
|
|
CA
|
B:GLY381
|
4.8
|
32.6
|
1.0
|
|
N
|
B:ASP459
|
4.9
|
33.9
|
1.0
|
|
O
|
B:THR458
|
4.9
|
34.7
|
1.0
|
|
CB
|
B:GLU461
|
4.9
|
32.3
|
1.0
|
|
Zinc binding site 5 out
of 24 in 7rie
Go back to
Zinc Binding Sites List in 7rie
Zinc binding site 5 out
of 24 in the Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn702
b:37.1
occ:1.00
|
OD2
|
C:ASP399
|
2.1
|
39.0
|
1.0
|
|
OE2
|
C:GLU461
|
2.2
|
29.9
|
1.0
|
|
O
|
C:HOH854
|
2.4
|
29.8
|
1.0
|
|
N10
|
C:5IF707
|
2.5
|
29.1
|
1.0
|
|
NZ
|
C:LYS374
|
2.5
|
35.8
|
1.0
|
|
OD2
|
C:ASP379
|
2.5
|
36.1
|
1.0
|
|
CG
|
C:ASP399
|
2.9
|
35.0
|
1.0
|
|
O11
|
C:5IF707
|
3.0
|
46.7
|
1.0
|
|
ZN
|
C:ZN703
|
3.1
|
34.4
|
1.0
|
|
OD1
|
C:ASP399
|
3.1
|
30.6
|
1.0
|
|
CE
|
C:LYS374
|
3.1
|
32.0
|
1.0
|
|
CD
|
C:GLU461
|
3.2
|
33.7
|
1.0
|
|
CG
|
C:ASP379
|
3.3
|
36.2
|
1.0
|
|
C09
|
C:5IF707
|
3.5
|
34.7
|
1.0
|
|
OE1
|
C:GLU461
|
3.6
|
33.2
|
1.0
|
|
O12
|
C:5IF707
|
3.8
|
34.4
|
1.0
|
|
CB
|
C:ASP379
|
3.9
|
32.9
|
1.0
|
|
OD1
|
C:ASP379
|
4.2
|
30.0
|
1.0
|
|
O
|
C:THR486
|
4.3
|
35.3
|
1.0
|
|
CB
|
C:ASP399
|
4.3
|
29.4
|
1.0
|
|
O2
|
C:CO3701
|
4.3
|
37.2
|
1.0
|
|
CG1
|
C:ILE376
|
4.5
|
32.7
|
1.0
|
|
CG
|
C:GLU461
|
4.5
|
31.6
|
1.0
|
|
N
|
C:GLY462
|
4.5
|
28.5
|
1.0
|
|
CD
|
C:LYS374
|
4.6
|
32.0
|
1.0
|
|
O
|
C:ASP459
|
4.6
|
29.8
|
1.0
|
|
CB
|
C:ILE376
|
4.7
|
35.9
|
1.0
|
|
C08
|
C:5IF707
|
4.8
|
37.7
|
1.0
|
|
CA
|
C:GLY462
|
4.8
|
27.2
|
1.0
|
|
CG2
|
C:ILE376
|
4.9
|
29.1
|
1.0
|
|
C14
|
C:5IF707
|
5.0
|
33.6
|
1.0
|
|
Zinc binding site 6 out
of 24 in 7rie
Go back to
Zinc Binding Sites List in 7rie
Zinc binding site 6 out
of 24 in the Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn703
b:34.4
occ:1.00
|
O
|
C:ASP459
|
2.1
|
29.8
|
1.0
|
|
OD2
|
C:ASP379
|
2.1
|
36.1
|
1.0
|
|
O12
|
C:5IF707
|
2.2
|
34.4
|
1.0
|
|
OE1
|
C:GLU461
|
2.2
|
33.2
|
1.0
|
|
OD1
|
C:ASP459
|
2.2
|
33.2
|
1.0
|
|
N10
|
C:5IF707
|
2.2
|
29.1
|
1.0
|
|
C09
|
C:5IF707
|
2.5
|
34.7
|
1.0
|
|
CG
|
C:ASP379
|
2.9
|
36.2
|
1.0
|
|
CD
|
C:GLU461
|
3.0
|
33.7
|
1.0
|
|
C
|
C:ASP459
|
3.1
|
28.3
|
1.0
|
|
ZN
|
C:ZN702
|
3.1
|
37.1
|
1.0
|
|
OD1
|
C:ASP379
|
3.1
|
30.0
|
1.0
|
|
OE2
|
C:GLU461
|
3.2
|
29.9
|
1.0
|
|
CG
|
C:ASP459
|
3.2
|
32.5
|
1.0
|
|
CA
|
C:ASP459
|
3.5
|
27.7
|
1.0
|
|
O11
|
C:5IF707
|
3.5
|
46.7
|
1.0
|
|
O
|
C:HOH854
|
3.8
|
29.8
|
1.0
|
|
CB
|
C:ASP459
|
3.9
|
32.7
|
1.0
|
|
C08
|
C:5IF707
|
3.9
|
37.7
|
1.0
|
|
NZ
|
C:LYS386
|
4.0
|
30.7
|
1.0
|
|
OD2
|
C:ASP459
|
4.0
|
34.9
|
1.0
|
|
CE
|
C:LYS386
|
4.2
|
29.7
|
1.0
|
|
N
|
C:ALA460
|
4.2
|
31.4
|
1.0
|
|
N
|
C:GLU461
|
4.2
|
28.4
|
1.0
|
|
CB
|
C:ASP379
|
4.4
|
32.9
|
1.0
|
|
N07
|
C:5IF707
|
4.4
|
36.3
|
1.0
|
|
CG
|
C:GLU461
|
4.5
|
31.6
|
1.0
|
|
CA
|
C:ALA460
|
4.6
|
34.8
|
1.0
|
|
OD2
|
C:ASP399
|
4.7
|
39.0
|
1.0
|
|
ND2
|
C:ASN432
|
4.7
|
27.9
|
1.0
|
|
CA
|
C:GLY381
|
4.9
|
26.9
|
1.0
|
|
N
|
C:ASP459
|
4.9
|
29.4
|
1.0
|
|
C13
|
C:5IF707
|
4.9
|
37.8
|
1.0
|
|
O
|
C:THR458
|
4.9
|
29.6
|
1.0
|
|
O2
|
C:CO3701
|
4.9
|
37.2
|
1.0
|
|
CB
|
C:GLU461
|
4.9
|
31.9
|
1.0
|
|
C
|
C:ALA460
|
5.0
|
32.5
|
1.0
|
|
Zinc binding site 7 out
of 24 in 7rie
Go back to
Zinc Binding Sites List in 7rie
Zinc binding site 7 out
of 24 in the Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn702
b:38.2
occ:1.00
|
O11
|
D:5IF704
|
2.1
|
39.6
|
1.0
|
|
OD2
|
D:ASP399
|
2.1
|
36.0
|
1.0
|
|
O
|
D:HOH828
|
2.2
|
35.5
|
1.0
|
|
OE2
|
D:GLU461
|
2.2
|
34.4
|
1.0
|
|
NZ
|
D:LYS374
|
2.4
|
32.7
|
1.0
|
|
OD2
|
D:ASP379
|
2.6
|
40.2
|
1.0
|
|
CG
|
D:ASP399
|
2.9
|
35.0
|
1.0
|
|
OD1
|
D:ASP399
|
3.0
|
37.9
|
1.0
|
|
N10
|
D:5IF704
|
3.0
|
32.3
|
1.0
|
|
ZN
|
D:ZN703
|
3.1
|
38.2
|
1.0
|
|
CE
|
D:LYS374
|
3.2
|
34.5
|
1.0
|
|
CD
|
D:GLU461
|
3.2
|
38.1
|
1.0
|
|
CG
|
D:ASP379
|
3.4
|
38.7
|
1.0
|
|
O12
|
D:5IF704
|
3.4
|
35.5
|
1.0
|
|
OE1
|
D:GLU461
|
3.6
|
38.1
|
1.0
|
|
C09
|
D:5IF704
|
3.6
|
33.0
|
1.0
|
|
CB
|
D:ASP379
|
3.9
|
34.2
|
1.0
|
|
O
|
D:THR486
|
4.2
|
37.7
|
1.0
|
|
O1
|
D:CO3701
|
4.2
|
33.4
|
1.0
|
|
OD1
|
D:ASP379
|
4.2
|
38.3
|
1.0
|
|
CB
|
D:ASP399
|
4.3
|
32.1
|
1.0
|
|
CG
|
D:GLU461
|
4.6
|
32.9
|
1.0
|
|
CG1
|
D:ILE376
|
4.6
|
30.2
|
1.0
|
|
N
|
D:GLY462
|
4.6
|
35.0
|
1.0
|
|
O
|
D:ASP459
|
4.6
|
37.4
|
1.0
|
|
CD
|
D:LYS374
|
4.6
|
28.8
|
1.0
|
|
CB
|
D:ILE376
|
4.8
|
34.3
|
1.0
|
|
CA
|
D:GLY462
|
4.9
|
33.3
|
1.0
|
|
CG2
|
D:ILE376
|
4.9
|
32.8
|
1.0
|
|
C08
|
D:5IF704
|
5.0
|
34.3
|
1.0
|
|
Zinc binding site 8 out
of 24 in 7rie
Go back to
Zinc Binding Sites List in 7rie
Zinc binding site 8 out
of 24 in the Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn703
b:38.2
occ:1.00
|
O
|
D:ASP459
|
2.0
|
37.4
|
1.0
|
|
OD2
|
D:ASP379
|
2.1
|
40.2
|
1.0
|
|
O12
|
D:5IF704
|
2.1
|
35.5
|
1.0
|
|
OD1
|
D:ASP459
|
2.2
|
31.4
|
1.0
|
|
OE1
|
D:GLU461
|
2.3
|
38.1
|
1.0
|
|
O11
|
D:5IF704
|
2.3
|
39.6
|
1.0
|
|
C09
|
D:5IF704
|
2.8
|
33.0
|
1.0
|
|
CG
|
D:ASP379
|
2.9
|
38.7
|
1.0
|
|
N10
|
D:5IF704
|
2.9
|
32.3
|
1.0
|
|
OD1
|
D:ASP379
|
3.0
|
38.3
|
1.0
|
|
C
|
D:ASP459
|
3.0
|
34.2
|
1.0
|
|
ZN
|
D:ZN702
|
3.1
|
38.2
|
1.0
|
|
CD
|
D:GLU461
|
3.1
|
38.1
|
1.0
|
|
CG
|
D:ASP459
|
3.2
|
34.7
|
1.0
|
|
OE2
|
D:GLU461
|
3.3
|
34.4
|
1.0
|
|
CA
|
D:ASP459
|
3.6
|
32.8
|
1.0
|
|
O
|
D:HOH828
|
3.7
|
35.5
|
1.0
|
|
CB
|
D:ASP459
|
3.9
|
35.0
|
1.0
|
|
NZ
|
D:LYS386
|
4.0
|
30.7
|
1.0
|
|
OD2
|
D:ASP459
|
4.1
|
35.8
|
1.0
|
|
CE
|
D:LYS386
|
4.1
|
34.6
|
1.0
|
|
N
|
D:ALA460
|
4.2
|
29.5
|
1.0
|
|
C08
|
D:5IF704
|
4.2
|
34.3
|
1.0
|
|
N
|
D:GLU461
|
4.2
|
33.7
|
1.0
|
|
CB
|
D:ASP379
|
4.3
|
34.2
|
1.0
|
|
N07
|
D:5IF704
|
4.5
|
43.3
|
1.0
|
|
CG
|
D:GLU461
|
4.6
|
32.9
|
1.0
|
|
CA
|
D:ALA460
|
4.6
|
37.0
|
1.0
|
|
ND2
|
D:ASN432
|
4.7
|
32.7
|
1.0
|
|
OD2
|
D:ASP399
|
4.7
|
36.0
|
1.0
|
|
CA
|
D:GLY381
|
4.9
|
32.3
|
1.0
|
|
O1
|
D:CO3701
|
4.9
|
33.4
|
1.0
|
|
N
|
D:ASP459
|
4.9
|
31.0
|
1.0
|
|
C
|
D:ALA460
|
5.0
|
37.0
|
1.0
|
|
CB
|
D:GLU461
|
5.0
|
37.3
|
1.0
|
|
C13
|
D:5IF704
|
5.0
|
31.3
|
1.0
|
|
Zinc binding site 9 out
of 24 in 7rie
Go back to
Zinc Binding Sites List in 7rie
Zinc binding site 9 out
of 24 in the Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 9 of Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn702
b:41.1
occ:1.00
|
OD2
|
E:ASP399
|
2.1
|
27.4
|
1.0
|
|
NZ
|
E:LYS374
|
2.2
|
33.4
|
1.0
|
|
N10
|
E:5IF707
|
2.3
|
38.3
|
1.0
|
|
OE2
|
E:GLU461
|
2.3
|
42.0
|
1.0
|
|
OD2
|
E:ASP379
|
2.5
|
28.9
|
1.0
|
|
O
|
E:HOH864
|
2.6
|
38.5
|
1.0
|
|
O11
|
E:5IF707
|
2.8
|
48.1
|
1.0
|
|
CG
|
E:ASP399
|
3.0
|
33.8
|
1.0
|
|
CE
|
E:LYS374
|
3.1
|
34.9
|
1.0
|
|
ZN
|
E:ZN703
|
3.1
|
39.2
|
1.0
|
|
OD1
|
E:ASP399
|
3.2
|
34.4
|
1.0
|
|
CD
|
E:GLU461
|
3.3
|
39.7
|
1.0
|
|
CG
|
E:ASP379
|
3.4
|
35.0
|
1.0
|
|
C09
|
E:5IF707
|
3.4
|
39.0
|
1.0
|
|
OE1
|
E:GLU461
|
3.5
|
41.0
|
1.0
|
|
O12
|
E:5IF707
|
3.8
|
44.1
|
1.0
|
|
CB
|
E:ASP379
|
4.0
|
35.7
|
1.0
|
|
O
|
E:THR486
|
4.2
|
32.2
|
1.0
|
|
O3
|
E:CO3701
|
4.3
|
34.6
|
1.0
|
|
OD1
|
E:ASP379
|
4.3
|
31.2
|
1.0
|
|
CB
|
E:ASP399
|
4.4
|
35.8
|
1.0
|
|
N
|
E:GLY462
|
4.5
|
36.1
|
1.0
|
|
CD
|
E:LYS374
|
4.5
|
39.0
|
1.0
|
|
O
|
E:ASP459
|
4.5
|
35.3
|
1.0
|
|
CG
|
E:GLU461
|
4.6
|
36.7
|
1.0
|
|
CG1
|
E:ILE376
|
4.6
|
36.7
|
1.0
|
|
C08
|
E:5IF707
|
4.7
|
36.0
|
1.0
|
|
CA
|
E:GLY462
|
4.7
|
33.6
|
1.0
|
|
CB
|
E:ILE376
|
4.8
|
34.5
|
1.0
|
|
CG2
|
E:ILE376
|
4.9
|
32.5
|
1.0
|
|
Zinc binding site 10 out
of 24 in 7rie
Go back to
Zinc Binding Sites List in 7rie
Zinc binding site 10 out
of 24 in the Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 10 of Plasmodium Falciparum M17 in Complex with Inhibitor MIPS2571 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn703
b:39.2
occ:1.00
|
O
|
E:ASP459
|
2.0
|
35.3
|
1.0
|
|
OD2
|
E:ASP379
|
2.0
|
28.9
|
1.0
|
|
O12
|
E:5IF707
|
2.2
|
44.1
|
1.0
|
|
OD1
|
E:ASP459
|
2.2
|
35.3
|
1.0
|
|
N10
|
E:5IF707
|
2.3
|
38.3
|
1.0
|
|
OE1
|
E:GLU461
|
2.3
|
41.0
|
1.0
|
|
C09
|
E:5IF707
|
2.5
|
39.0
|
1.0
|
|
CG
|
E:ASP379
|
2.8
|
35.0
|
1.0
|
|
OD1
|
E:ASP379
|
3.0
|
31.2
|
1.0
|
|
C
|
E:ASP459
|
3.0
|
35.9
|
1.0
|
|
ZN
|
E:ZN702
|
3.1
|
41.1
|
1.0
|
|
CD
|
E:GLU461
|
3.1
|
39.7
|
1.0
|
|
CG
|
E:ASP459
|
3.2
|
37.7
|
1.0
|
|
OE2
|
E:GLU461
|
3.3
|
42.0
|
1.0
|
|
CA
|
E:ASP459
|
3.5
|
37.0
|
1.0
|
|
O11
|
E:5IF707
|
3.5
|
48.1
|
1.0
|
|
CB
|
E:ASP459
|
3.9
|
37.5
|
1.0
|
|
C08
|
E:5IF707
|
4.0
|
36.0
|
1.0
|
|
O
|
E:HOH864
|
4.0
|
38.5
|
1.0
|
|
OD2
|
E:ASP459
|
4.0
|
37.9
|
1.0
|
|
NZ
|
E:LYS386
|
4.1
|
37.3
|
1.0
|
|
N
|
E:ALA460
|
4.1
|
34.5
|
1.0
|
|
CE
|
E:LYS386
|
4.2
|
34.7
|
1.0
|
|
N
|
E:GLU461
|
4.2
|
31.9
|
1.0
|
|
CB
|
E:ASP379
|
4.3
|
35.7
|
1.0
|
|
N07
|
E:5IF707
|
4.4
|
33.4
|
1.0
|
|
ND2
|
E:ASN432
|
4.5
|
34.0
|
1.0
|
|
CA
|
E:ALA460
|
4.6
|
35.8
|
1.0
|
|
CG
|
E:GLU461
|
4.6
|
36.7
|
1.0
|
|
OD2
|
E:ASP399
|
4.6
|
27.4
|
1.0
|
|
CA
|
E:GLY381
|
4.8
|
32.0
|
1.0
|
|
N
|
E:ASP459
|
4.9
|
38.6
|
1.0
|
|
C13
|
E:5IF707
|
4.9
|
44.4
|
1.0
|
|
O
|
E:THR458
|
4.9
|
36.5
|
1.0
|
|
C
|
E:ALA460
|
4.9
|
34.8
|
1.0
|
|
CB
|
E:GLU461
|
5.0
|
31.2
|
1.0
|
|
Reference:
R.Edgar,
S.Mcgowan,
C.T.Webb.
Structure of M17 with Compound To Be Published.
Page generated: Sat Apr 8 02:52:10 2023
|
