Iron in PDB 1aco: Crystal Structure of Aconitase with Transaconitate Bound
Enzymatic activity of Crystal Structure of Aconitase with Transaconitate Bound
All present enzymatic activity of Crystal Structure of Aconitase with Transaconitate Bound:
4.2.1.3;
Protein crystallography data
The structure of Crystal Structure of Aconitase with Transaconitate Bound, PDB code: 1aco
was solved by
C.D.Stout,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
N/A /
2.05
|
Space group
|
B 1 1 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
185.500,
72.000,
73.000,
90.00,
90.00,
77.70
|
R / Rfree (%)
|
16.8 /
n/a
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Aconitase with Transaconitate Bound
(pdb code 1aco). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Crystal Structure of Aconitase with Transaconitate Bound, PDB code: 1aco:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 1aco
Go back to
Iron Binding Sites List in 1aco
Iron binding site 1 out
of 4 in the Crystal Structure of Aconitase with Transaconitate Bound
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 Aconitase with Transaconitate Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe999
b:15.4
occ:1.00
|
FE1
|
A:SF4999
|
0.0
|
15.4
|
1.0
|
S4
|
A:SF4999
|
2.3
|
10.4
|
1.0
|
S3
|
A:SF4999
|
2.3
|
17.0
|
1.0
|
S2
|
A:SF4999
|
2.3
|
15.1
|
1.0
|
SG
|
A:CYS358
|
2.3
|
16.8
|
1.0
|
FE2
|
A:SF4999
|
2.6
|
14.1
|
1.0
|
FE3
|
A:SF4999
|
2.7
|
12.5
|
1.0
|
FE4
|
A:SF4999
|
2.9
|
26.0
|
1.0
|
CB
|
A:CYS358
|
3.5
|
11.6
|
1.0
|
S1
|
A:SF4999
|
3.8
|
12.1
|
1.0
|
N
|
A:CYS358
|
3.9
|
20.8
|
1.0
|
O
|
A:HOH1000
|
4.2
|
17.3
|
1.0
|
CG2
|
A:ILE145
|
4.3
|
4.9
|
1.0
|
CA
|
A:CYS358
|
4.4
|
17.4
|
1.0
|
H1
|
A:HOH1000
|
4.4
|
0.0
|
1.0
|
ND1
|
A:HIS167
|
4.5
|
8.6
|
1.0
|
ND2
|
A:ASN446
|
4.5
|
17.6
|
1.0
|
CD2
|
A:HIS147
|
4.5
|
7.0
|
1.0
|
SG
|
A:CYS424
|
4.6
|
12.7
|
1.0
|
CB
|
A:SER357
|
4.8
|
16.5
|
1.0
|
SG
|
A:CYS421
|
4.8
|
7.4
|
1.0
|
CB
|
A:HIS167
|
4.9
|
5.8
|
1.0
|
CG
|
A:HIS167
|
4.9
|
6.4
|
1.0
|
C
|
A:SER357
|
5.0
|
20.7
|
1.0
|
NE2
|
A:HIS147
|
5.0
|
7.2
|
1.0
|
OG
|
A:SER357
|
5.0
|
22.0
|
1.0
|
|
Iron binding site 2 out
of 4 in 1aco
Go back to
Iron Binding Sites List in 1aco
Iron binding site 2 out
of 4 in the Crystal Structure of Aconitase with Transaconitate Bound
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 Aconitase with Transaconitate Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe999
b:14.1
occ:1.00
|
FE2
|
A:SF4999
|
0.0
|
14.1
|
1.0
|
S1
|
A:SF4999
|
2.3
|
12.1
|
1.0
|
SG
|
A:CYS424
|
2.3
|
12.7
|
1.0
|
S4
|
A:SF4999
|
2.3
|
10.4
|
1.0
|
S3
|
A:SF4999
|
2.4
|
17.0
|
1.0
|
FE1
|
A:SF4999
|
2.6
|
15.4
|
1.0
|
FE3
|
A:SF4999
|
2.7
|
12.5
|
1.0
|
FE4
|
A:SF4999
|
3.0
|
26.0
|
1.0
|
CB
|
A:CYS424
|
3.1
|
10.4
|
1.0
|
S2
|
A:SF4999
|
3.9
|
15.1
|
1.0
|
CA
|
A:CYS424
|
4.4
|
10.7
|
1.0
|
CB
|
A:SER357
|
4.4
|
16.5
|
1.0
|
OG2
|
A:TRA755
|
4.4
|
15.1
|
1.0
|
NH2
|
A:ARG452
|
4.4
|
17.0
|
1.0
|
C
|
A:CYS424
|
4.5
|
11.1
|
1.0
|
CB
|
A:CYS421
|
4.5
|
7.8
|
1.0
|
SG
|
A:CYS358
|
4.6
|
16.8
|
1.0
|
SG
|
A:CYS421
|
4.6
|
7.4
|
1.0
|
O
|
A:CYS424
|
4.7
|
9.9
|
1.0
|
ND2
|
A:ASN446
|
4.7
|
17.6
|
1.0
|
OG
|
A:SER357
|
4.8
|
22.0
|
1.0
|
O
|
A:HOH1000
|
4.9
|
17.3
|
1.0
|
N
|
A:ILE425
|
5.0
|
11.4
|
1.0
|
CA
|
A:CYS421
|
5.0
|
7.7
|
1.0
|
|
Iron binding site 3 out
of 4 in 1aco
Go back to
Iron Binding Sites List in 1aco
Iron binding site 3 out
of 4 in the Crystal Structure of Aconitase with Transaconitate Bound
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 Aconitase with Transaconitate Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe999
b:12.5
occ:1.00
|
FE3
|
A:SF4999
|
0.0
|
12.5
|
1.0
|
SG
|
A:CYS421
|
2.3
|
7.4
|
1.0
|
S1
|
A:SF4999
|
2.3
|
12.1
|
1.0
|
S4
|
A:SF4999
|
2.3
|
10.4
|
1.0
|
S2
|
A:SF4999
|
2.3
|
15.1
|
1.0
|
FE1
|
A:SF4999
|
2.7
|
15.4
|
1.0
|
FE2
|
A:SF4999
|
2.7
|
14.1
|
1.0
|
FE4
|
A:SF4999
|
2.9
|
26.0
|
1.0
|
CB
|
A:CYS421
|
3.2
|
7.8
|
1.0
|
NE2
|
A:HIS101
|
3.8
|
6.9
|
1.0
|
CE1
|
A:HIS101
|
3.8
|
8.2
|
1.0
|
S3
|
A:SF4999
|
3.9
|
17.0
|
1.0
|
CA
|
A:CYS421
|
3.9
|
7.7
|
1.0
|
CG2
|
A:ILE145
|
4.2
|
4.9
|
1.0
|
CD2
|
A:HIS101
|
4.5
|
8.5
|
1.0
|
ND1
|
A:HIS101
|
4.5
|
9.1
|
1.0
|
N
|
A:CYS421
|
4.6
|
5.1
|
1.0
|
SG
|
A:CYS424
|
4.8
|
12.7
|
1.0
|
SG
|
A:CYS358
|
4.8
|
16.8
|
1.0
|
CB
|
A:CYS424
|
4.9
|
10.4
|
1.0
|
O
|
A:HOH1000
|
4.9
|
17.3
|
1.0
|
CG
|
A:HIS101
|
4.9
|
5.5
|
1.0
|
CG1
|
A:ILE425
|
4.9
|
12.3
|
1.0
|
OD2
|
A:ASP100
|
5.0
|
7.5
|
1.0
|
|
Iron binding site 4 out
of 4 in 1aco
Go back to
Iron Binding Sites List in 1aco
Iron binding site 4 out
of 4 in the Crystal Structure of Aconitase with Transaconitate Bound
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 Aconitase with Transaconitate Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe999
b:26.0
occ:1.00
|
FE4
|
A:SF4999
|
0.0
|
26.0
|
1.0
|
O
|
A:HOH1000
|
2.2
|
17.3
|
1.0
|
S1
|
A:SF4999
|
2.3
|
12.1
|
1.0
|
S3
|
A:SF4999
|
2.4
|
17.0
|
1.0
|
S2
|
A:SF4999
|
2.4
|
15.1
|
1.0
|
OG2
|
A:TRA755
|
2.6
|
15.1
|
1.0
|
FE3
|
A:SF4999
|
2.9
|
12.5
|
1.0
|
FE1
|
A:SF4999
|
2.9
|
15.4
|
1.0
|
H2
|
A:HOH1000
|
2.9
|
0.0
|
1.0
|
H1
|
A:HOH1000
|
2.9
|
0.0
|
1.0
|
FE2
|
A:SF4999
|
3.0
|
14.1
|
1.0
|
CG
|
A:TRA755
|
3.4
|
12.5
|
1.0
|
CGC
|
A:TRA755
|
3.5
|
14.1
|
1.0
|
NE2
|
A:HIS101
|
3.9
|
6.9
|
1.0
|
OD1
|
A:ASP165
|
4.0
|
10.0
|
1.0
|
ND1
|
A:HIS167
|
4.0
|
8.6
|
1.0
|
OD2
|
A:ASP165
|
4.1
|
7.8
|
1.0
|
S4
|
A:SF4999
|
4.2
|
10.4
|
1.0
|
OB1
|
A:TRA755
|
4.3
|
13.1
|
1.0
|
CG
|
A:ASP165
|
4.5
|
8.2
|
1.0
|
CE1
|
A:HIS101
|
4.5
|
8.2
|
1.0
|
NH2
|
A:ARG452
|
4.6
|
17.0
|
1.0
|
CB
|
A:TRA755
|
4.6
|
15.2
|
1.0
|
OG1
|
A:TRA755
|
4.7
|
17.7
|
1.0
|
CBC
|
A:TRA755
|
4.8
|
12.9
|
1.0
|
SG
|
A:CYS421
|
4.9
|
7.4
|
1.0
|
CD2
|
A:HIS101
|
4.9
|
8.5
|
1.0
|
SG
|
A:CYS358
|
4.9
|
16.8
|
1.0
|
CG
|
A:HIS167
|
4.9
|
6.4
|
1.0
|
CE1
|
A:HIS167
|
4.9
|
8.8
|
1.0
|
SG
|
A:CYS424
|
5.0
|
12.7
|
1.0
|
|
Reference:
H.Lauble,
M.C.Kennedy,
H.Beinert,
C.D.Stout.
Crystal Structures of Aconitase with Trans-Aconitate and Nitrocitrate Bound. J.Mol.Biol. V. 237 437 1994.
ISSN: ISSN 0022-2836
PubMed: 8151704
DOI: 10.1006/JMBI.1994.1246
Page generated: Sat Aug 3 02:06:51 2024
|