Iron in PDB 6uq8: Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate
Enzymatic activity of Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate
All present enzymatic activity of Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate:
4.2.1.2;
Protein crystallography data
The structure of Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate, PDB code: 6uq8
was solved by
P.R.Feliciano,
C.L.Drennan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
48.99 /
1.34
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
65.732,
84.748,
240.120,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
13.4 /
14.4
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate
(pdb code 6uq8). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate, PDB code: 6uq8:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 6uq8
Go back to
Iron Binding Sites List in 6uq8
Iron binding site 1 out
of 8 in the Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate
 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 R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:11.8
occ:1.00
|
FE1
|
A:SF4601
|
0.0
|
11.8
|
1.0
|
|
SG
|
A:CYS133
|
2.3
|
12.2
|
1.0
|
|
S4
|
A:SF4601
|
2.3
|
11.8
|
1.0
|
|
S3
|
A:SF4601
|
2.3
|
12.2
|
1.0
|
|
S2
|
A:SF4601
|
2.4
|
11.9
|
1.0
|
|
FE2
|
A:SF4601
|
2.7
|
11.8
|
1.0
|
|
FE3
|
A:SF4601
|
2.8
|
12.0
|
1.0
|
|
FE4
|
A:SF4601
|
2.9
|
12.1
|
1.0
|
|
HB2
|
A:CYS133
|
3.4
|
14.7
|
1.0
|
|
HB3
|
A:ASP135
|
3.4
|
13.3
|
1.0
|
|
CB
|
A:CYS133
|
3.4
|
12.3
|
1.0
|
|
HB2
|
A:ALA348
|
3.5
|
14.1
|
1.0
|
|
HB3
|
A:ALA348
|
3.6
|
14.1
|
1.0
|
|
HB3
|
A:CYS133
|
3.7
|
14.7
|
1.0
|
|
HA2
|
A:GLY515
|
3.8
|
14.9
|
1.0
|
|
HE22
|
A:GLN134
|
3.9
|
15.9
|
1.0
|
|
S1
|
A:SF4601
|
4.0
|
12.0
|
1.0
|
|
CB
|
A:ALA348
|
4.0
|
11.8
|
1.0
|
|
H
|
A:ASP135
|
4.2
|
14.7
|
1.0
|
|
O
|
A:HOH840
|
4.3
|
14.5
|
1.0
|
|
O2
|
A:LMR602
|
4.3
|
12.7
|
1.0
|
|
CB
|
A:ASP135
|
4.4
|
11.1
|
1.0
|
|
NE2
|
A:GLN134
|
4.4
|
13.3
|
1.0
|
|
H
|
A:ALA348
|
4.5
|
13.6
|
1.0
|
|
H3
|
A:LMR602
|
4.5
|
15.5
|
1.0
|
|
HB2
|
A:ASP135
|
4.5
|
13.3
|
1.0
|
|
HB1
|
A:ALA348
|
4.5
|
14.1
|
1.0
|
|
O
|
A:HOH869
|
4.6
|
13.7
|
0.5
|
|
O
|
A:HOH869
|
4.7
|
13.1
|
0.5
|
|
HE21
|
A:GLN134
|
4.7
|
15.9
|
1.0
|
|
O
|
A:ASP135
|
4.8
|
12.1
|
1.0
|
|
CA
|
A:GLY515
|
4.8
|
12.4
|
1.0
|
|
CA
|
A:CYS133
|
4.8
|
11.9
|
1.0
|
|
HO2
|
A:LMR602
|
4.8
|
15.3
|
1.0
|
|
HA
|
A:CYS133
|
4.9
|
14.3
|
1.0
|
|
SG
|
A:CYS346
|
4.9
|
11.8
|
1.0
|
|
SG
|
A:CYS252
|
4.9
|
12.2
|
1.0
|
|
HA3
|
A:GLY214
|
4.9
|
13.5
|
1.0
|
|
O1B
|
A:LMR602
|
4.9
|
11.9
|
1.0
|
|
N
|
A:ASP135
|
5.0
|
12.3
|
1.0
|
|
Iron binding site 2 out
of 8 in 6uq8
Go back to
Iron Binding Sites List in 6uq8
Iron binding site 2 out
of 8 in the Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate
 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 R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:11.8
occ:1.00
|
FE2
|
A:SF4601
|
0.0
|
11.8
|
1.0
|
|
S3
|
A:SF4601
|
2.3
|
12.2
|
1.0
|
|
S4
|
A:SF4601
|
2.3
|
11.8
|
1.0
|
|
S1
|
A:SF4601
|
2.3
|
12.0
|
1.0
|
|
SG
|
A:CYS346
|
2.3
|
11.8
|
1.0
|
|
FE3
|
A:SF4601
|
2.7
|
12.0
|
1.0
|
|
FE1
|
A:SF4601
|
2.7
|
11.8
|
1.0
|
|
FE4
|
A:SF4601
|
2.8
|
12.1
|
1.0
|
|
HB2
|
A:CYS346
|
3.0
|
13.1
|
1.0
|
|
HB3
|
A:ALA348
|
3.1
|
14.1
|
1.0
|
|
CB
|
A:CYS346
|
3.2
|
10.9
|
1.0
|
|
H
|
A:ALA348
|
3.4
|
13.6
|
1.0
|
|
HB3
|
A:CYS346
|
3.5
|
13.1
|
1.0
|
|
S2
|
A:SF4601
|
3.9
|
11.9
|
1.0
|
|
HB2
|
A:CYS252
|
3.9
|
14.7
|
1.0
|
|
HA3
|
A:GLY214
|
3.9
|
13.5
|
1.0
|
|
CB
|
A:ALA348
|
4.0
|
11.8
|
1.0
|
|
HB2
|
A:ALA348
|
4.0
|
14.1
|
1.0
|
|
H
|
A:SER217
|
4.1
|
14.2
|
1.0
|
|
N
|
A:ALA348
|
4.2
|
11.3
|
1.0
|
|
HB3
|
A:SER217
|
4.2
|
16.9
|
1.0
|
|
H
|
A:SER347
|
4.4
|
14.3
|
1.0
|
|
HG
|
A:SER217
|
4.5
|
15.7
|
1.0
|
|
OG
|
A:SER217
|
4.5
|
13.1
|
1.0
|
|
CA
|
A:CYS346
|
4.6
|
10.2
|
1.0
|
|
CA
|
A:ALA348
|
4.7
|
11.9
|
1.0
|
|
N
|
A:SER347
|
4.7
|
11.9
|
1.0
|
|
HB1
|
A:ALA348
|
4.7
|
14.1
|
1.0
|
|
SG
|
A:CYS252
|
4.7
|
12.2
|
1.0
|
|
O2
|
A:LMR602
|
4.7
|
12.7
|
1.0
|
|
CB
|
A:CYS252
|
4.7
|
12.3
|
1.0
|
|
O
|
A:ALA251
|
4.7
|
12.1
|
1.0
|
|
H
|
A:GLY216
|
4.8
|
14.6
|
1.0
|
|
N
|
A:SER217
|
4.8
|
11.9
|
1.0
|
|
O1B
|
A:LMR602
|
4.8
|
11.9
|
1.0
|
|
HA3
|
A:GLY216
|
4.8
|
14.5
|
1.0
|
|
CB
|
A:SER217
|
4.8
|
14.1
|
1.0
|
|
C
|
A:CYS346
|
4.9
|
12.0
|
1.0
|
|
HB2
|
A:SER347
|
4.9
|
13.9
|
1.0
|
|
CA
|
A:GLY214
|
4.9
|
11.3
|
1.0
|
|
HO2
|
A:LMR602
|
4.9
|
15.3
|
1.0
|
|
H
|
A:CYS346
|
4.9
|
12.8
|
1.0
|
|
SG
|
A:CYS133
|
4.9
|
12.2
|
1.0
|
|
HZ3
|
A:LYS491
|
5.0
|
14.7
|
1.0
|
|
Iron binding site 3 out
of 8 in 6uq8
Go back to
Iron Binding Sites List in 6uq8
Iron binding site 3 out
of 8 in the Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate
 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 R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:12.0
occ:1.00
|
FE3
|
A:SF4601
|
0.0
|
12.0
|
1.0
|
|
S2
|
A:SF4601
|
2.3
|
11.9
|
1.0
|
|
SG
|
A:CYS252
|
2.3
|
12.2
|
1.0
|
|
S4
|
A:SF4601
|
2.3
|
11.8
|
1.0
|
|
S1
|
A:SF4601
|
2.3
|
12.0
|
1.0
|
|
FE2
|
A:SF4601
|
2.7
|
11.8
|
1.0
|
|
FE4
|
A:SF4601
|
2.7
|
12.1
|
1.0
|
|
FE1
|
A:SF4601
|
2.8
|
11.8
|
1.0
|
|
HB2
|
A:CYS252
|
2.9
|
14.7
|
1.0
|
|
HZ2
|
A:LYS491
|
3.1
|
14.7
|
1.0
|
|
CB
|
A:CYS252
|
3.2
|
12.3
|
1.0
|
|
HZ3
|
A:LYS491
|
3.3
|
14.7
|
1.0
|
|
HE2
|
A:LYS491
|
3.5
|
15.7
|
1.0
|
|
NZ
|
A:LYS491
|
3.5
|
12.3
|
1.0
|
|
HB3
|
A:CYS252
|
3.6
|
14.7
|
1.0
|
|
S3
|
A:SF4601
|
3.8
|
12.2
|
1.0
|
|
O1B
|
A:LMR602
|
3.9
|
11.9
|
1.0
|
|
HA2
|
A:GLY515
|
3.9
|
14.9
|
1.0
|
|
HB2
|
A:CYS346
|
4.0
|
13.1
|
1.0
|
|
CE
|
A:LYS491
|
4.0
|
13.1
|
1.0
|
|
O
|
A:HOH869
|
4.1
|
13.1
|
0.5
|
|
HZ1
|
A:LYS491
|
4.3
|
14.7
|
1.0
|
|
HA
|
A:ALA251
|
4.4
|
14.9
|
1.0
|
|
CA
|
A:CYS252
|
4.5
|
12.1
|
1.0
|
|
N
|
A:GLY515
|
4.5
|
12.9
|
1.0
|
|
H
|
A:GLY515
|
4.5
|
15.4
|
1.0
|
|
C
|
A:ALA251
|
4.5
|
12.3
|
1.0
|
|
N
|
A:CYS252
|
4.5
|
12.3
|
1.0
|
|
O
|
A:ALA251
|
4.6
|
12.1
|
1.0
|
|
CA
|
A:GLY515
|
4.6
|
12.4
|
1.0
|
|
HB2
|
A:SER347
|
4.6
|
13.9
|
1.0
|
|
O
|
A:HOH869
|
4.6
|
13.7
|
0.5
|
|
HD3
|
A:LYS491
|
4.6
|
15.4
|
1.0
|
|
HA3
|
A:GLY515
|
4.7
|
14.9
|
1.0
|
|
SG
|
A:CYS346
|
4.7
|
11.8
|
1.0
|
|
CB
|
A:CYS346
|
4.7
|
10.9
|
1.0
|
|
HE3
|
A:LYS491
|
4.7
|
15.7
|
1.0
|
|
SG
|
A:CYS133
|
4.7
|
12.2
|
1.0
|
|
H
|
A:ALA348
|
4.8
|
13.6
|
1.0
|
|
H
|
A:SER347
|
4.8
|
14.3
|
1.0
|
|
O2
|
A:LMR602
|
4.9
|
12.7
|
1.0
|
|
C
|
A:GLY514
|
4.9
|
13.0
|
1.0
|
|
HB3
|
A:CYS346
|
4.9
|
13.1
|
1.0
|
|
H
|
A:CYS252
|
4.9
|
14.8
|
1.0
|
|
HA3
|
A:GLY216
|
4.9
|
14.5
|
1.0
|
|
HA3
|
A:GLY514
|
4.9
|
14.8
|
1.0
|
|
HE22
|
A:GLN134
|
5.0
|
15.9
|
1.0
|
|
CD
|
A:LYS491
|
5.0
|
12.9
|
1.0
|
|
HA
|
A:CYS252
|
5.0
|
14.5
|
1.0
|
|
Iron binding site 4 out
of 8 in 6uq8
Go back to
Iron Binding Sites List in 6uq8
Iron binding site 4 out
of 8 in the Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate
 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 R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:12.1
occ:1.00
|
FE4
|
A:SF4601
|
0.0
|
12.1
|
1.0
|
|
O2
|
A:LMR602
|
2.2
|
12.7
|
1.0
|
|
S2
|
A:SF4601
|
2.3
|
11.9
|
1.0
|
|
O1B
|
A:LMR602
|
2.3
|
11.9
|
1.0
|
|
S1
|
A:SF4601
|
2.3
|
12.0
|
1.0
|
|
S3
|
A:SF4601
|
2.4
|
12.2
|
1.0
|
|
FE3
|
A:SF4601
|
2.7
|
12.0
|
1.0
|
|
HO2
|
A:LMR602
|
2.8
|
15.3
|
1.0
|
|
FE2
|
A:SF4601
|
2.8
|
11.8
|
1.0
|
|
FE1
|
A:SF4601
|
2.9
|
11.8
|
1.0
|
|
C1
|
A:LMR602
|
3.1
|
12.7
|
1.0
|
|
H
|
A:GLY216
|
3.1
|
14.6
|
1.0
|
|
C2
|
A:LMR602
|
3.1
|
12.2
|
1.0
|
|
HZ3
|
A:LYS491
|
3.2
|
14.7
|
1.0
|
|
HA3
|
A:GLY216
|
3.3
|
14.5
|
1.0
|
|
H3
|
A:LMR602
|
3.3
|
15.5
|
1.0
|
|
C3
|
A:LMR602
|
3.8
|
12.9
|
1.0
|
|
N
|
A:GLY216
|
3.8
|
12.2
|
1.0
|
|
HB3
|
A:ASP135
|
3.9
|
13.3
|
1.0
|
|
H2
|
A:LMR602
|
3.9
|
14.7
|
1.0
|
|
S4
|
A:SF4601
|
4.0
|
11.8
|
1.0
|
|
CA
|
A:GLY216
|
4.0
|
12.1
|
1.0
|
|
NZ
|
A:LYS491
|
4.0
|
12.3
|
1.0
|
|
HZ2
|
A:LYS491
|
4.1
|
14.7
|
1.0
|
|
OD2
|
A:ASP135
|
4.1
|
12.1
|
1.0
|
|
H
|
A:SER217
|
4.2
|
14.2
|
1.0
|
|
HA3
|
A:GLY214
|
4.3
|
13.5
|
1.0
|
|
HE2
|
A:LYS491
|
4.3
|
15.7
|
1.0
|
|
O1A
|
A:LMR602
|
4.3
|
14.2
|
1.0
|
|
H3A
|
A:LMR602
|
4.4
|
15.5
|
1.0
|
|
HB2
|
A:ASP135
|
4.4
|
13.3
|
1.0
|
|
CB
|
A:ASP135
|
4.5
|
11.1
|
1.0
|
|
HE22
|
A:GLN134
|
4.5
|
15.9
|
1.0
|
|
HZ1
|
A:LYS491
|
4.6
|
14.7
|
1.0
|
|
CE
|
A:LYS491
|
4.7
|
13.1
|
1.0
|
|
HA2
|
A:GLY216
|
4.7
|
14.5
|
1.0
|
|
SG
|
A:CYS133
|
4.7
|
12.2
|
1.0
|
|
SG
|
A:CYS252
|
4.7
|
12.2
|
1.0
|
|
H
|
A:GLY215
|
4.7
|
14.8
|
1.0
|
|
N
|
A:SER217
|
4.8
|
11.9
|
1.0
|
|
CG
|
A:ASP135
|
4.8
|
11.8
|
1.0
|
|
C
|
A:GLY216
|
4.8
|
11.2
|
1.0
|
|
C4
|
A:LMR602
|
4.9
|
12.9
|
1.0
|
|
HE3
|
A:LYS491
|
4.9
|
15.7
|
1.0
|
|
HG1
|
A:THR468
|
4.9
|
15.0
|
1.0
|
|
N
|
A:GLY215
|
4.9
|
12.3
|
1.0
|
|
HE21
|
A:GLN134
|
4.9
|
15.9
|
1.0
|
|
SG
|
A:CYS346
|
5.0
|
11.8
|
1.0
|
|
Iron binding site 5 out
of 8 in 6uq8
Go back to
Iron Binding Sites List in 6uq8
Iron binding site 5 out
of 8 in the Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate
 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 R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe601
b:11.7
occ:1.00
|
FE1
|
B:SF4601
|
0.0
|
11.7
|
1.0
|
|
S4
|
B:SF4601
|
2.3
|
11.6
|
1.0
|
|
S2
|
B:SF4601
|
2.3
|
11.7
|
1.0
|
|
SG
|
B:CYS346
|
2.3
|
11.6
|
1.0
|
|
S3
|
B:SF4601
|
2.3
|
12.1
|
1.0
|
|
FE4
|
B:SF4601
|
2.7
|
11.7
|
1.0
|
|
FE2
|
B:SF4601
|
2.8
|
11.6
|
1.0
|
|
FE3
|
B:SF4601
|
2.8
|
11.5
|
1.0
|
|
HB2
|
B:CYS346
|
3.0
|
14.5
|
1.0
|
|
HB3
|
B:ALA348
|
3.1
|
15.4
|
1.0
|
|
CB
|
B:CYS346
|
3.2
|
12.1
|
1.0
|
|
H
|
B:ALA348
|
3.3
|
13.6
|
1.0
|
|
HB3
|
B:CYS346
|
3.5
|
14.5
|
1.0
|
|
S1
|
B:SF4601
|
3.9
|
11.6
|
1.0
|
|
HB2
|
B:ALA348
|
3.9
|
15.4
|
1.0
|
|
CB
|
B:ALA348
|
3.9
|
12.8
|
1.0
|
|
HB2
|
B:CYS252
|
3.9
|
14.0
|
1.0
|
|
HA3
|
B:GLY214
|
4.0
|
14.1
|
1.0
|
|
N
|
B:ALA348
|
4.1
|
11.3
|
1.0
|
|
H
|
B:SER217
|
4.2
|
13.4
|
1.0
|
|
HB3
|
B:SER217
|
4.3
|
14.8
|
1.0
|
|
H
|
B:SER347
|
4.3
|
15.2
|
1.0
|
|
HG
|
B:SER217
|
4.5
|
15.0
|
1.0
|
|
OG
|
B:SER217
|
4.5
|
12.5
|
1.0
|
|
CA
|
B:ALA348
|
4.6
|
12.0
|
1.0
|
|
CA
|
B:CYS346
|
4.6
|
11.3
|
1.0
|
|
N
|
B:SER347
|
4.6
|
12.7
|
1.0
|
|
HB1
|
B:ALA348
|
4.6
|
15.4
|
1.0
|
|
O2
|
B:LMR602
|
4.7
|
11.7
|
1.0
|
|
SG
|
B:CYS252
|
4.7
|
12.0
|
1.0
|
|
O
|
B:ALA251
|
4.7
|
12.3
|
1.0
|
|
CB
|
B:CYS252
|
4.7
|
11.7
|
1.0
|
|
O1B
|
B:LMR602
|
4.8
|
11.1
|
1.0
|
|
N
|
B:SER217
|
4.8
|
11.2
|
1.0
|
|
C
|
B:CYS346
|
4.8
|
10.9
|
1.0
|
|
H
|
B:GLY216
|
4.8
|
14.1
|
1.0
|
|
HB2
|
B:SER347
|
4.8
|
15.2
|
1.0
|
|
CB
|
B:SER217
|
4.9
|
12.3
|
1.0
|
|
HA3
|
B:GLY216
|
4.9
|
13.9
|
1.0
|
|
H
|
B:CYS346
|
4.9
|
13.8
|
1.0
|
|
CA
|
B:GLY214
|
4.9
|
11.8
|
1.0
|
|
SG
|
B:CYS133
|
5.0
|
12.1
|
1.0
|
|
HO2
|
B:LMR602
|
5.0
|
14.1
|
1.0
|
|
HZ2
|
B:LYS491
|
5.0
|
13.8
|
1.0
|
|
O
|
B:HOH803
|
5.0
|
14.3
|
1.0
|
|
Iron binding site 6 out
of 8 in 6uq8
Go back to
Iron Binding Sites List in 6uq8
Iron binding site 6 out
of 8 in the Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate
 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 R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe601
b:11.6
occ:1.00
|
FE2
|
B:SF4601
|
0.0
|
11.6
|
1.0
|
|
SG
|
B:CYS133
|
2.3
|
12.1
|
1.0
|
|
S3
|
B:SF4601
|
2.3
|
12.1
|
1.0
|
|
S4
|
B:SF4601
|
2.3
|
11.6
|
1.0
|
|
S1
|
B:SF4601
|
2.3
|
11.6
|
1.0
|
|
FE1
|
B:SF4601
|
2.8
|
11.7
|
1.0
|
|
FE4
|
B:SF4601
|
2.8
|
11.7
|
1.0
|
|
FE3
|
B:SF4601
|
2.9
|
11.5
|
1.0
|
|
HB2
|
B:CYS133
|
3.4
|
14.2
|
1.0
|
|
HB2
|
B:ALA348
|
3.4
|
15.4
|
1.0
|
|
CB
|
B:CYS133
|
3.4
|
11.8
|
1.0
|
|
HB3
|
B:ASP135
|
3.5
|
12.7
|
1.0
|
|
HB3
|
B:ALA348
|
3.6
|
15.4
|
1.0
|
|
HB3
|
B:CYS133
|
3.6
|
14.2
|
1.0
|
|
HA2
|
B:GLY515
|
3.8
|
17.7
|
1.0
|
|
HE22
|
B:GLN134
|
3.9
|
14.0
|
1.0
|
|
CB
|
B:ALA348
|
4.0
|
12.8
|
1.0
|
|
S2
|
B:SF4601
|
4.0
|
11.7
|
1.0
|
|
O
|
B:HOH860
|
4.2
|
14.5
|
1.0
|
|
H
|
B:ASP135
|
4.3
|
13.7
|
1.0
|
|
O2
|
B:LMR602
|
4.3
|
11.7
|
1.0
|
|
CB
|
B:ASP135
|
4.4
|
10.5
|
1.0
|
|
H3A
|
B:LMR602
|
4.4
|
13.8
|
1.0
|
|
H
|
B:ALA348
|
4.4
|
13.6
|
1.0
|
|
NE2
|
B:GLN134
|
4.5
|
11.6
|
1.0
|
|
HB1
|
B:ALA348
|
4.5
|
15.4
|
1.0
|
|
HB2
|
B:ASP135
|
4.6
|
12.7
|
1.0
|
|
O
|
B:HOH912
|
4.6
|
18.4
|
1.0
|
|
CA
|
B:GLY515
|
4.7
|
14.8
|
1.0
|
|
HE21
|
B:GLN134
|
4.8
|
14.0
|
1.0
|
|
CA
|
B:CYS133
|
4.8
|
12.3
|
1.0
|
|
O
|
B:ASP135
|
4.8
|
11.8
|
1.0
|
|
HO2
|
B:LMR602
|
4.8
|
14.1
|
1.0
|
|
HA
|
B:CYS133
|
4.8
|
14.7
|
1.0
|
|
SG
|
B:CYS346
|
4.9
|
11.6
|
1.0
|
|
SG
|
B:CYS252
|
4.9
|
12.0
|
1.0
|
|
HA3
|
B:GLY214
|
4.9
|
14.1
|
1.0
|
|
O1B
|
B:LMR602
|
4.9
|
11.1
|
1.0
|
|
Iron binding site 7 out
of 8 in 6uq8
Go back to
Iron Binding Sites List in 6uq8
Iron binding site 7 out
of 8 in the Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate
 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 R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe601
b:11.5
occ:1.00
|
FE3
|
B:SF4601
|
0.0
|
11.5
|
1.0
|
|
O2
|
B:LMR602
|
2.2
|
11.7
|
1.0
|
|
O1B
|
B:LMR602
|
2.3
|
11.1
|
1.0
|
|
S2
|
B:SF4601
|
2.3
|
11.7
|
1.0
|
|
S1
|
B:SF4601
|
2.3
|
11.6
|
1.0
|
|
S4
|
B:SF4601
|
2.4
|
11.6
|
1.0
|
|
FE4
|
B:SF4601
|
2.7
|
11.7
|
1.0
|
|
FE1
|
B:SF4601
|
2.8
|
11.7
|
1.0
|
|
HO2
|
B:LMR602
|
2.8
|
14.1
|
1.0
|
|
FE2
|
B:SF4601
|
2.9
|
11.6
|
1.0
|
|
C1
|
B:LMR602
|
3.1
|
11.7
|
1.0
|
|
C2
|
B:LMR602
|
3.1
|
10.8
|
1.0
|
|
H
|
B:GLY216
|
3.1
|
14.1
|
1.0
|
|
H3A
|
B:LMR602
|
3.3
|
13.8
|
1.0
|
|
HZ3
|
B:LYS491
|
3.3
|
13.8
|
1.0
|
|
HA3
|
B:GLY216
|
3.3
|
13.9
|
1.0
|
|
C3
|
B:LMR602
|
3.7
|
11.5
|
1.0
|
|
N
|
B:GLY216
|
3.9
|
11.8
|
1.0
|
|
HB3
|
B:ASP135
|
3.9
|
12.7
|
1.0
|
|
H2
|
B:LMR602
|
3.9
|
12.9
|
1.0
|
|
HZ2
|
B:LYS491
|
3.9
|
13.8
|
1.0
|
|
S3
|
B:SF4601
|
4.0
|
12.1
|
1.0
|
|
NZ
|
B:LYS491
|
4.0
|
11.5
|
1.0
|
|
CA
|
B:GLY216
|
4.0
|
11.6
|
1.0
|
|
OD2
|
B:ASP135
|
4.2
|
11.3
|
1.0
|
|
HA3
|
B:GLY214
|
4.2
|
14.1
|
1.0
|
|
H
|
B:SER217
|
4.2
|
13.4
|
1.0
|
|
HE2
|
B:LYS491
|
4.3
|
13.9
|
1.0
|
|
O1A
|
B:LMR602
|
4.3
|
12.0
|
1.0
|
|
H3
|
B:LMR602
|
4.3
|
13.8
|
1.0
|
|
HB2
|
B:ASP135
|
4.4
|
12.7
|
1.0
|
|
CB
|
B:ASP135
|
4.5
|
10.5
|
1.0
|
|
HE22
|
B:GLN134
|
4.6
|
14.0
|
1.0
|
|
CE
|
B:LYS491
|
4.7
|
11.6
|
1.0
|
|
HZ1
|
B:LYS491
|
4.7
|
13.8
|
1.0
|
|
SG
|
B:CYS133
|
4.7
|
12.1
|
1.0
|
|
SG
|
B:CYS252
|
4.7
|
12.0
|
1.0
|
|
HA2
|
B:GLY216
|
4.7
|
13.9
|
1.0
|
|
N
|
B:SER217
|
4.7
|
11.2
|
1.0
|
|
H
|
B:GLY215
|
4.8
|
13.5
|
1.0
|
|
CG
|
B:ASP135
|
4.8
|
11.3
|
1.0
|
|
C
|
B:GLY216
|
4.9
|
10.9
|
1.0
|
|
C4
|
B:LMR602
|
4.9
|
11.5
|
1.0
|
|
HE3
|
B:LYS491
|
4.9
|
13.9
|
1.0
|
|
SG
|
B:CYS346
|
4.9
|
11.6
|
1.0
|
|
N
|
B:GLY215
|
4.9
|
11.2
|
1.0
|
|
HG1
|
B:THR468
|
4.9
|
13.9
|
1.0
|
|
CA
|
B:GLY214
|
5.0
|
11.8
|
1.0
|
|
HA
|
B:ALA251
|
5.0
|
13.7
|
1.0
|
|
Iron binding site 8 out
of 8 in 6uq8
Go back to
Iron Binding Sites List in 6uq8
Iron binding site 8 out
of 8 in the Crystal Structure of R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate
 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 R421A Variant of Cytosolic Fumarate Hydratase From Leishmania Major in A Complex with S-Malate and Malonate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe601
b:11.7
occ:1.00
|
FE4
|
B:SF4601
|
0.0
|
11.7
|
1.0
|
|
S1
|
B:SF4601
|
2.3
|
11.6
|
1.0
|
|
S3
|
B:SF4601
|
2.3
|
12.1
|
1.0
|
|
SG
|
B:CYS252
|
2.3
|
12.0
|
1.0
|
|
S2
|
B:SF4601
|
2.3
|
11.7
|
1.0
|
|
FE1
|
B:SF4601
|
2.7
|
11.7
|
1.0
|
|
FE3
|
B:SF4601
|
2.7
|
11.5
|
1.0
|
|
FE2
|
B:SF4601
|
2.8
|
11.6
|
1.0
|
|
HB2
|
B:CYS252
|
2.9
|
14.0
|
1.0
|
|
HZ2
|
B:LYS491
|
3.0
|
13.8
|
1.0
|
|
CB
|
B:CYS252
|
3.2
|
11.7
|
1.0
|
|
HZ3
|
B:LYS491
|
3.4
|
13.8
|
1.0
|
|
HE2
|
B:LYS491
|
3.5
|
13.9
|
1.0
|
|
NZ
|
B:LYS491
|
3.6
|
11.5
|
1.0
|
|
HB3
|
B:CYS252
|
3.6
|
14.0
|
1.0
|
|
S4
|
B:SF4601
|
3.9
|
11.6
|
1.0
|
|
O1B
|
B:LMR602
|
3.9
|
11.1
|
1.0
|
|
HA2
|
B:GLY515
|
3.9
|
17.7
|
1.0
|
|
HB2
|
B:CYS346
|
4.0
|
14.5
|
1.0
|
|
CE
|
B:LYS491
|
4.0
|
11.6
|
1.0
|
|
HZ1
|
B:LYS491
|
4.4
|
13.8
|
1.0
|
|
O
|
B:HOH912
|
4.4
|
18.4
|
1.0
|
|
HA
|
B:ALA251
|
4.4
|
13.7
|
1.0
|
|
CA
|
B:CYS252
|
4.5
|
12.2
|
1.0
|
|
N
|
B:GLY515
|
4.5
|
13.6
|
1.0
|
|
C
|
B:ALA251
|
4.5
|
11.9
|
1.0
|
|
H
|
B:GLY515
|
4.5
|
16.3
|
1.0
|
|
N
|
B:CYS252
|
4.5
|
11.7
|
1.0
|
|
O
|
B:ALA251
|
4.6
|
12.3
|
1.0
|
|
HB2
|
B:SER347
|
4.6
|
15.2
|
1.0
|
|
CA
|
B:GLY515
|
4.6
|
14.8
|
1.0
|
|
HD3
|
B:LYS491
|
4.6
|
15.3
|
1.0
|
|
HA3
|
B:GLY515
|
4.6
|
17.7
|
1.0
|
|
SG
|
B:CYS346
|
4.7
|
11.6
|
1.0
|
|
CB
|
B:CYS346
|
4.7
|
12.1
|
1.0
|
|
H
|
B:ALA348
|
4.7
|
13.6
|
1.0
|
|
HE3
|
B:LYS491
|
4.7
|
13.9
|
1.0
|
|
SG
|
B:CYS133
|
4.8
|
12.1
|
1.0
|
|
H
|
B:SER347
|
4.8
|
15.2
|
1.0
|
|
C
|
B:GLY514
|
4.9
|
14.0
|
1.0
|
|
O2
|
B:LMR602
|
4.9
|
11.7
|
1.0
|
|
HB3
|
B:CYS346
|
4.9
|
14.5
|
1.0
|
|
HA3
|
B:GLY514
|
4.9
|
15.1
|
1.0
|
|
H
|
B:CYS252
|
4.9
|
14.1
|
1.0
|
|
HA
|
B:CYS252
|
4.9
|
14.7
|
1.0
|
|
CD
|
B:LYS491
|
5.0
|
12.7
|
1.0
|
|
H3A
|
B:LMR602
|
5.0
|
13.8
|
1.0
|
|
HA3
|
B:GLY216
|
5.0
|
13.9
|
1.0
|
|
Reference:
P.R.Feliciano,
C.L.Drennan.
Structural and Biochemical Investigations of the [4FE-4S] Cluster-Containing Fumarate Hydratase Fromleishmania Major. Biochemistry 2019.
ISSN: ISSN 0006-2960
PubMed: 31743022
DOI: 10.1021/ACS.BIOCHEM.9B00923
Page generated: Wed Aug 7 12:25:45 2024
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