Iron in PDB 6mso: Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate
Enzymatic activity of Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate
All present enzymatic activity of Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate:
4.2.1.2;
Protein crystallography data
The structure of Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate, PDB code: 6mso
was solved by
P.R.Feliciano,
C.L.Drennan,
M.C.Nonato,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.88 /
2.05
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.741,
138.443,
138.073,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
15.9 /
20.5
|
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
16;
Binding sites:
The binding sites of Iron atom in the Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate
(pdb code 6mso). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the
Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate, PDB code: 6mso:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 16 in 6mso
Go back to
Iron Binding Sites List in 6mso
Iron binding site 1 out
of 16 in the Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:22.3
occ:1.00
|
FE1
|
A:SF4601
|
0.0
|
22.3
|
1.0
|
S06
|
A:JYD608
|
2.2
|
17.6
|
0.3
|
S4
|
A:SF4601
|
2.3
|
22.6
|
1.0
|
S3
|
A:SF4601
|
2.3
|
15.1
|
1.0
|
S2
|
A:SF4601
|
2.3
|
19.6
|
1.0
|
S06
|
A:JYD608
|
2.3
|
21.7
|
0.7
|
O05
|
A:JYD608
|
2.6
|
17.7
|
0.7
|
FE2
|
A:SF4601
|
2.7
|
20.8
|
1.0
|
FE3
|
A:SF4601
|
2.8
|
19.9
|
1.0
|
FE4
|
A:SF4601
|
2.8
|
18.7
|
1.0
|
C03
|
A:JYD608
|
3.4
|
17.1
|
0.7
|
C02
|
A:JYD608
|
3.4
|
17.5
|
0.7
|
C02
|
A:JYD608
|
3.7
|
17.8
|
0.3
|
C01
|
A:JYD608
|
3.8
|
18.0
|
0.3
|
C01
|
A:JYD608
|
3.8
|
18.0
|
0.7
|
S1
|
A:SF4601
|
3.9
|
15.8
|
1.0
|
NZ
|
A:LYS474
|
4.0
|
14.9
|
1.0
|
N
|
A:GLY197
|
4.3
|
16.0
|
1.0
|
OD2
|
A:ASP116
|
4.5
|
20.6
|
1.0
|
SG
|
A:CYS114
|
4.5
|
15.1
|
1.0
|
O05
|
A:JYD608
|
4.5
|
17.3
|
0.3
|
CA
|
A:GLY197
|
4.6
|
15.9
|
1.0
|
C03
|
A:JYD608
|
4.6
|
17.2
|
0.3
|
O04
|
A:JYD608
|
4.6
|
17.3
|
0.7
|
CB
|
A:ASP116
|
4.7
|
13.2
|
1.0
|
CE
|
A:LYS474
|
4.7
|
14.9
|
1.0
|
SG
|
A:CYS233
|
4.8
|
17.8
|
1.0
|
N
|
A:SER198
|
4.8
|
16.3
|
1.0
|
CA
|
A:GLY195
|
4.8
|
17.1
|
1.0
|
SG
|
A:CYS328
|
4.9
|
15.3
|
1.0
|
C07
|
A:JYD608
|
4.9
|
17.9
|
0.7
|
N
|
A:GLY196
|
5.0
|
12.3
|
1.0
|
|
Iron binding site 2 out
of 16 in 6mso
Go back to
Iron Binding Sites List in 6mso
Iron binding site 2 out
of 16 in the Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:20.8
occ:1.00
|
FE2
|
A:SF4601
|
0.0
|
20.8
|
1.0
|
SG
|
A:CYS233
|
2.2
|
17.8
|
1.0
|
S3
|
A:SF4601
|
2.3
|
15.1
|
1.0
|
S1
|
A:SF4601
|
2.3
|
15.8
|
1.0
|
S4
|
A:SF4601
|
2.3
|
22.6
|
1.0
|
FE4
|
A:SF4601
|
2.7
|
18.7
|
1.0
|
FE3
|
A:SF4601
|
2.7
|
19.9
|
1.0
|
FE1
|
A:SF4601
|
2.7
|
22.3
|
1.0
|
CB
|
A:CYS233
|
3.2
|
16.6
|
1.0
|
NZ
|
A:LYS474
|
3.6
|
14.9
|
1.0
|
S2
|
A:SF4601
|
3.9
|
19.6
|
1.0
|
CE
|
A:LYS474
|
4.1
|
14.9
|
1.0
|
O05
|
A:JYD608
|
4.2
|
17.7
|
0.7
|
N
|
A:GLY498
|
4.4
|
16.5
|
1.0
|
O
|
A:HOH863
|
4.5
|
28.7
|
1.0
|
CA
|
A:CYS233
|
4.5
|
15.0
|
1.0
|
N
|
A:CYS233
|
4.5
|
13.5
|
1.0
|
C
|
A:ALA232
|
4.6
|
13.3
|
1.0
|
S06
|
A:JYD608
|
4.6
|
17.6
|
0.3
|
CA
|
A:GLY498
|
4.6
|
16.8
|
1.0
|
O
|
A:ALA232
|
4.7
|
15.6
|
1.0
|
SG
|
A:CYS114
|
4.7
|
15.1
|
1.0
|
C
|
A:GLY497
|
4.7
|
16.6
|
1.0
|
CB
|
A:CYS328
|
4.7
|
13.8
|
1.0
|
SG
|
A:CYS328
|
4.7
|
15.3
|
1.0
|
CD
|
A:LYS474
|
4.8
|
15.2
|
1.0
|
|
Iron binding site 3 out
of 16 in 6mso
Go back to
Iron Binding Sites List in 6mso
Iron binding site 3 out
of 16 in the Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:19.9
occ:1.00
|
FE3
|
A:SF4601
|
0.0
|
19.9
|
1.0
|
S2
|
A:SF4601
|
2.3
|
19.6
|
1.0
|
S4
|
A:SF4601
|
2.3
|
22.6
|
1.0
|
S1
|
A:SF4601
|
2.3
|
15.8
|
1.0
|
SG
|
A:CYS328
|
2.3
|
15.3
|
1.0
|
FE2
|
A:SF4601
|
2.7
|
20.8
|
1.0
|
FE4
|
A:SF4601
|
2.7
|
18.7
|
1.0
|
FE1
|
A:SF4601
|
2.8
|
22.3
|
1.0
|
CB
|
A:CYS328
|
3.2
|
13.8
|
1.0
|
CB
|
A:ALA330
|
3.8
|
14.1
|
1.0
|
S3
|
A:SF4601
|
3.9
|
15.1
|
1.0
|
N
|
A:ALA330
|
4.2
|
14.3
|
1.0
|
OG
|
A:SER198
|
4.3
|
16.5
|
1.0
|
CA
|
A:CYS328
|
4.6
|
16.8
|
1.0
|
CA
|
A:ALA330
|
4.6
|
14.3
|
1.0
|
CB
|
A:SER198
|
4.6
|
14.0
|
1.0
|
SG
|
A:CYS233
|
4.7
|
17.8
|
1.0
|
N
|
A:SER329
|
4.7
|
14.3
|
1.0
|
S06
|
A:JYD608
|
4.7
|
21.7
|
0.7
|
CB
|
A:CYS233
|
4.8
|
16.6
|
1.0
|
O
|
A:ALA232
|
4.8
|
15.6
|
1.0
|
S06
|
A:JYD608
|
4.8
|
17.6
|
0.3
|
C
|
A:CYS328
|
4.9
|
15.9
|
1.0
|
SG
|
A:CYS114
|
4.9
|
15.1
|
1.0
|
CA
|
A:GLY195
|
4.9
|
17.1
|
1.0
|
O
|
A:HOH775
|
4.9
|
5.7
|
1.0
|
N
|
A:SER198
|
4.9
|
16.3
|
1.0
|
O05
|
A:JYD608
|
5.0
|
17.7
|
0.7
|
|
Iron binding site 4 out
of 16 in 6mso
Go back to
Iron Binding Sites List in 6mso
Iron binding site 4 out
of 16 in the Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:18.7
occ:1.00
|
FE4
|
A:SF4601
|
0.0
|
18.7
|
1.0
|
SG
|
A:CYS114
|
2.2
|
15.1
|
1.0
|
S1
|
A:SF4601
|
2.3
|
15.8
|
1.0
|
S3
|
A:SF4601
|
2.3
|
15.1
|
1.0
|
S2
|
A:SF4601
|
2.3
|
19.6
|
1.0
|
FE2
|
A:SF4601
|
2.7
|
20.8
|
1.0
|
FE3
|
A:SF4601
|
2.7
|
19.9
|
1.0
|
FE1
|
A:SF4601
|
2.8
|
22.3
|
1.0
|
CB
|
A:CYS114
|
3.4
|
13.9
|
1.0
|
S4
|
A:SF4601
|
3.9
|
22.6
|
1.0
|
CB
|
A:ALA330
|
4.1
|
14.1
|
1.0
|
O
|
A:HOH807
|
4.1
|
15.4
|
1.0
|
S06
|
A:JYD608
|
4.5
|
21.7
|
0.7
|
NE2
|
A:GLN115
|
4.5
|
13.9
|
1.0
|
O
|
A:HOH863
|
4.6
|
28.7
|
1.0
|
SG
|
A:CYS233
|
4.8
|
17.8
|
1.0
|
CA
|
A:GLY498
|
4.8
|
16.8
|
1.0
|
CA
|
A:CYS114
|
4.8
|
19.2
|
1.0
|
CB
|
A:ASP116
|
4.8
|
13.2
|
1.0
|
S06
|
A:JYD608
|
4.8
|
17.6
|
0.3
|
SG
|
A:CYS328
|
4.8
|
15.3
|
1.0
|
O
|
A:ASP116
|
4.9
|
14.0
|
1.0
|
|
Iron binding site 5 out
of 16 in 6mso
Go back to
Iron Binding Sites List in 6mso
Iron binding site 5 out
of 16 in the Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe601
b:23.4
occ:1.00
|
FE1
|
B:SF4601
|
0.0
|
23.4
|
1.0
|
S2
|
B:SF4601
|
2.3
|
14.7
|
1.0
|
S3
|
B:SF4601
|
2.3
|
15.8
|
1.0
|
S4
|
B:SF4601
|
2.3
|
17.2
|
1.0
|
SG
|
B:CYS328
|
2.3
|
14.4
|
1.0
|
FE2
|
B:SF4601
|
2.7
|
24.1
|
1.0
|
FE4
|
B:SF4601
|
2.7
|
22.1
|
1.0
|
FE3
|
B:SF4601
|
2.8
|
21.4
|
1.0
|
CB
|
B:CYS328
|
3.1
|
14.2
|
1.0
|
S1
|
B:SF4601
|
3.9
|
24.0
|
1.0
|
CB
|
B:ALA330
|
3.9
|
13.3
|
1.0
|
N
|
B:ALA330
|
4.1
|
13.1
|
1.0
|
OG
|
B:SER198
|
4.4
|
20.8
|
1.0
|
CA
|
B:CYS328
|
4.5
|
15.8
|
1.0
|
N
|
B:SER329
|
4.5
|
16.8
|
1.0
|
CA
|
B:ALA330
|
4.6
|
13.1
|
1.0
|
O
|
B:ALA232
|
4.7
|
18.5
|
1.0
|
SG
|
B:CYS233
|
4.7
|
17.7
|
1.0
|
CB
|
B:SER198
|
4.7
|
12.3
|
1.0
|
C
|
B:CYS328
|
4.7
|
16.6
|
1.0
|
CB
|
B:CYS233
|
4.8
|
14.6
|
1.0
|
S06
|
B:JYD604
|
4.8
|
16.0
|
0.6
|
S06
|
B:JYD604
|
4.8
|
14.9
|
0.4
|
N
|
B:SER198
|
4.8
|
15.9
|
1.0
|
CA
|
B:GLY195
|
4.9
|
12.5
|
1.0
|
SG
|
B:CYS114
|
5.0
|
17.8
|
1.0
|
|
Iron binding site 6 out
of 16 in 6mso
Go back to
Iron Binding Sites List in 6mso
Iron binding site 6 out
of 16 in the Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe601
b:24.1
occ:1.00
|
FE2
|
B:SF4601
|
0.0
|
24.1
|
1.0
|
S4
|
B:SF4601
|
2.3
|
17.2
|
1.0
|
S1
|
B:SF4601
|
2.3
|
24.0
|
1.0
|
SG
|
B:CYS233
|
2.3
|
17.7
|
1.0
|
S3
|
B:SF4601
|
2.3
|
15.8
|
1.0
|
FE1
|
B:SF4601
|
2.7
|
23.4
|
1.0
|
FE3
|
B:SF4601
|
2.7
|
21.4
|
1.0
|
FE4
|
B:SF4601
|
2.7
|
22.1
|
1.0
|
CB
|
B:CYS233
|
3.2
|
14.6
|
1.0
|
NZ
|
B:LYS474
|
3.6
|
22.9
|
1.0
|
S2
|
B:SF4601
|
3.9
|
14.7
|
1.0
|
CE
|
B:LYS474
|
4.1
|
14.1
|
1.0
|
O04
|
B:JYD604
|
4.3
|
13.5
|
0.6
|
N
|
B:GLY498
|
4.3
|
14.7
|
1.0
|
CA
|
B:CYS233
|
4.5
|
15.2
|
1.0
|
CA
|
B:GLY498
|
4.5
|
14.7
|
1.0
|
N
|
B:CYS233
|
4.6
|
16.6
|
1.0
|
C
|
B:ALA232
|
4.6
|
16.3
|
1.0
|
O
|
B:ALA232
|
4.6
|
18.5
|
1.0
|
SG
|
B:CYS114
|
4.7
|
17.8
|
1.0
|
S06
|
B:JYD604
|
4.7
|
14.9
|
0.4
|
C
|
B:GLY497
|
4.7
|
17.9
|
1.0
|
CB
|
B:CYS328
|
4.7
|
14.2
|
1.0
|
SG
|
B:CYS328
|
4.8
|
14.4
|
1.0
|
CD
|
B:LYS474
|
5.0
|
14.4
|
1.0
|
|
Iron binding site 7 out
of 16 in 6mso
Go back to
Iron Binding Sites List in 6mso
Iron binding site 7 out
of 16 in the Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe601
b:21.4
occ:1.00
|
FE3
|
B:SF4601
|
0.0
|
21.4
|
1.0
|
SG
|
B:CYS114
|
2.3
|
17.8
|
1.0
|
S4
|
B:SF4601
|
2.3
|
17.2
|
1.0
|
S1
|
B:SF4601
|
2.3
|
24.0
|
1.0
|
S2
|
B:SF4601
|
2.3
|
14.7
|
1.0
|
FE2
|
B:SF4601
|
2.7
|
24.1
|
1.0
|
FE4
|
B:SF4601
|
2.8
|
22.1
|
1.0
|
FE1
|
B:SF4601
|
2.8
|
23.4
|
1.0
|
CB
|
B:CYS114
|
3.4
|
13.4
|
1.0
|
S3
|
B:SF4601
|
3.9
|
15.8
|
1.0
|
CB
|
B:ALA330
|
4.1
|
13.3
|
1.0
|
O
|
B:HOH751
|
4.1
|
4.7
|
1.0
|
NE2
|
B:GLN115
|
4.5
|
13.9
|
1.0
|
S06
|
B:JYD604
|
4.5
|
16.0
|
0.6
|
CB
|
B:ASP116
|
4.7
|
13.2
|
1.0
|
CA
|
B:CYS114
|
4.7
|
16.4
|
1.0
|
CA
|
B:GLY498
|
4.8
|
14.7
|
1.0
|
S06
|
B:JYD604
|
4.8
|
14.9
|
0.4
|
O
|
B:ASP116
|
4.8
|
14.2
|
1.0
|
SG
|
B:CYS328
|
4.8
|
14.4
|
1.0
|
SG
|
B:CYS233
|
4.8
|
17.7
|
1.0
|
N
|
B:ALA330
|
5.0
|
13.1
|
1.0
|
|
Iron binding site 8 out
of 16 in 6mso
Go back to
Iron Binding Sites List in 6mso
Iron binding site 8 out
of 16 in the Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe601
b:22.1
occ:1.00
|
FE4
|
B:SF4601
|
0.0
|
22.1
|
1.0
|
S06
|
B:JYD604
|
2.3
|
14.9
|
0.4
|
S3
|
B:SF4601
|
2.3
|
15.8
|
1.0
|
S2
|
B:SF4601
|
2.3
|
14.7
|
1.0
|
S1
|
B:SF4601
|
2.3
|
24.0
|
1.0
|
S06
|
B:JYD604
|
2.4
|
16.0
|
0.6
|
FE1
|
B:SF4601
|
2.7
|
23.4
|
1.0
|
FE2
|
B:SF4601
|
2.7
|
24.1
|
1.0
|
FE3
|
B:SF4601
|
2.8
|
21.4
|
1.0
|
O04
|
B:JYD604
|
2.8
|
13.5
|
0.6
|
C02
|
B:JYD604
|
3.5
|
11.0
|
0.6
|
C03
|
B:JYD604
|
3.6
|
12.1
|
0.6
|
C02
|
B:JYD604
|
3.7
|
11.5
|
0.4
|
C01
|
B:JYD604
|
3.8
|
10.9
|
0.4
|
S4
|
B:SF4601
|
3.9
|
17.2
|
1.0
|
C01
|
B:JYD604
|
4.0
|
10.6
|
0.6
|
NZ
|
B:LYS474
|
4.1
|
22.9
|
1.0
|
N
|
B:GLY197
|
4.2
|
20.8
|
1.0
|
OD1
|
B:ASP116
|
4.4
|
20.0
|
1.0
|
O05
|
B:JYD604
|
4.4
|
12.3
|
0.4
|
CA
|
B:GLY197
|
4.4
|
12.7
|
1.0
|
SG
|
B:CYS114
|
4.5
|
17.8
|
1.0
|
C03
|
B:JYD604
|
4.5
|
11.6
|
0.4
|
CB
|
B:ASP116
|
4.6
|
13.2
|
1.0
|
N
|
B:SER198
|
4.7
|
15.9
|
1.0
|
O05
|
B:JYD604
|
4.8
|
12.4
|
0.6
|
CA
|
B:GLY195
|
4.8
|
12.5
|
1.0
|
SG
|
B:CYS233
|
4.8
|
17.7
|
1.0
|
SG
|
B:CYS328
|
4.9
|
14.4
|
1.0
|
CE
|
B:LYS474
|
4.9
|
14.1
|
1.0
|
N
|
B:GLY196
|
4.9
|
12.6
|
1.0
|
CG
|
B:ASP116
|
5.0
|
18.9
|
1.0
|
|
Iron binding site 9 out
of 16 in 6mso
Go back to
Iron Binding Sites List in 6mso
Iron binding site 9 out
of 16 in the Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe601
b:28.7
occ:1.00
|
FE1
|
C:SF4601
|
0.0
|
28.7
|
1.0
|
S4
|
C:SF4601
|
2.3
|
24.9
|
1.0
|
S3
|
C:SF4601
|
2.3
|
31.1
|
1.0
|
S2
|
C:SF4601
|
2.3
|
27.9
|
1.0
|
SG
|
C:CYS233
|
2.3
|
28.5
|
1.0
|
FE4
|
C:SF4601
|
2.7
|
32.0
|
1.0
|
FE2
|
C:SF4601
|
2.7
|
30.2
|
1.0
|
FE3
|
C:SF4601
|
2.7
|
30.0
|
1.0
|
CB
|
C:CYS233
|
3.0
|
27.0
|
1.0
|
NZ
|
C:LYS474
|
3.7
|
25.6
|
1.0
|
S1
|
C:SF4601
|
3.9
|
30.6
|
1.0
|
O04
|
C:JYD604
|
4.1
|
43.0
|
1.0
|
CE
|
C:LYS474
|
4.3
|
25.8
|
1.0
|
CA
|
C:CYS233
|
4.3
|
28.1
|
1.0
|
N
|
C:CYS233
|
4.4
|
28.8
|
1.0
|
N
|
C:GLY498
|
4.4
|
32.4
|
1.0
|
O
|
C:HOH750
|
4.4
|
26.9
|
1.0
|
C
|
C:ALA232
|
4.4
|
30.2
|
1.0
|
O
|
C:ALA232
|
4.6
|
33.7
|
1.0
|
CB
|
C:CYS328
|
4.7
|
21.1
|
1.0
|
SG
|
C:CYS328
|
4.7
|
22.0
|
1.0
|
SG
|
C:CYS114
|
4.7
|
27.6
|
1.0
|
CA
|
C:GLY498
|
4.7
|
36.7
|
1.0
|
C
|
C:GLY497
|
4.8
|
33.5
|
1.0
|
CD
|
C:LYS474
|
4.9
|
25.1
|
1.0
|
S06
|
C:JYD604
|
4.9
|
40.5
|
1.0
|
|
Iron binding site 10 out
of 16 in 6mso
Go back to
Iron Binding Sites List in 6mso
Iron binding site 10 out
of 16 in the Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Crystal Structure of Mitochondrial Fumarate Hydratase From Leishmania Major in A Complex with Inhibitor Thiomalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe601
b:30.2
occ:1.00
|
FE2
|
C:SF4601
|
0.0
|
30.2
|
1.0
|
S06
|
C:JYD604
|
2.2
|
40.5
|
1.0
|
S3
|
C:SF4601
|
2.3
|
31.1
|
1.0
|
S4
|
C:SF4601
|
2.3
|
24.9
|
1.0
|
S1
|
C:SF4601
|
2.3
|
30.6
|
1.0
|
O04
|
C:JYD604
|
2.7
|
43.0
|
1.0
|
FE1
|
C:SF4601
|
2.7
|
28.7
|
1.0
|
FE3
|
C:SF4601
|
2.8
|
30.0
|
1.0
|
FE4
|
C:SF4601
|
2.8
|
32.0
|
1.0
|
C02
|
C:JYD604
|
3.3
|
37.5
|
1.0
|
C03
|
C:JYD604
|
3.4
|
42.1
|
1.0
|
C01
|
C:JYD604
|
3.7
|
35.5
|
1.0
|
S2
|
C:SF4601
|
3.9
|
27.9
|
1.0
|
N
|
C:GLY197
|
4.1
|
24.6
|
1.0
|
NZ
|
C:LYS474
|
4.2
|
25.6
|
1.0
|
CA
|
C:GLY197
|
4.3
|
27.3
|
1.0
|
SG
|
C:CYS114
|
4.5
|
27.6
|
1.0
|
OD2
|
C:ASP116
|
4.6
|
32.5
|
1.0
|
N
|
C:SER198
|
4.6
|
30.9
|
1.0
|
O05
|
C:JYD604
|
4.7
|
45.5
|
1.0
|
CB
|
C:ASP116
|
4.8
|
26.5
|
1.0
|
SG
|
C:CYS233
|
4.8
|
28.5
|
1.0
|
SG
|
C:CYS328
|
4.8
|
22.0
|
1.0
|
CE
|
C:LYS474
|
4.9
|
25.8
|
1.0
|
C
|
C:GLY197
|
4.9
|
30.7
|
1.0
|
CA
|
C:GLY195
|
4.9
|
23.8
|
1.0
|
C07
|
C:JYD604
|
4.9
|
32.7
|
1.0
|
|
Reference:
P.R.Feliciano,
C.L.Drennan,
M.C.Nonato.
Crystal Structures of Fumarate Hydratases From Leishmania Major in A Complex with Inhibitor 2-Thiomalate. Acs Chem. Biol. V. 14 266 2019.
ISSN: ESSN 1554-8937
PubMed: 30645090
DOI: 10.1021/ACSCHEMBIO.8B00972
Page generated: Wed Aug 7 02:26:43 2024
|