Iron in PDB 6vp1: Artificial Metalloproteins with Dinuclear Iron Centers
Protein crystallography data
The structure of Artificial Metalloproteins with Dinuclear Iron Centers, PDB code: 6vp1
was solved by
K.R.Miller,
A.H.Follmer,
A.J.Jasniewski,
S.Sabuncu,
S.Biswas,
T.Albert,
M.P.Hendrich,
P.Moenne-Loccoz,
A.S.Borovik,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
31.07 /
1.45
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
193.014,
57.684,
57.684,
90,
107.39,
90
|
R / Rfree (%)
|
17.6 /
19.7
|
Iron Binding Sites:
The binding sites of Iron atom in the Artificial Metalloproteins with Dinuclear Iron Centers
(pdb code 6vp1). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Artificial Metalloproteins with Dinuclear Iron Centers, PDB code: 6vp1:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 6vp1
Go back to
Iron Binding Sites List in 6vp1
Iron binding site 1 out
of 4 in the Artificial Metalloproteins with Dinuclear Iron Centers
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Artificial Metalloproteins with Dinuclear Iron Centers within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:33.5
occ:0.80
|
FE1
|
A:KM3201
|
0.0
|
33.5
|
0.8
|
OH
|
A:TYR124
|
1.9
|
33.6
|
1.0
|
N4
|
A:KM3201
|
1.9
|
50.0
|
1.0
|
N5
|
A:KM3201
|
2.0
|
42.2
|
1.0
|
N3
|
A:KM3201
|
2.0
|
34.7
|
1.0
|
O
|
A:HOH301
|
2.2
|
37.4
|
1.0
|
O
|
A:ACT202
|
2.2
|
21.4
|
0.5
|
C16
|
A:KM3201
|
2.9
|
54.6
|
1.0
|
C23
|
A:KM3201
|
2.9
|
36.6
|
1.0
|
C22
|
A:KM3201
|
2.9
|
46.7
|
1.0
|
C11
|
A:KM3201
|
2.9
|
37.4
|
1.0
|
C12
|
A:KM3201
|
2.9
|
46.7
|
1.0
|
C17
|
A:KM3201
|
3.0
|
36.4
|
1.0
|
C18
|
A:KM3201
|
3.0
|
39.3
|
1.0
|
CZ
|
A:TYR124
|
3.1
|
28.6
|
1.0
|
C
|
A:ACT202
|
3.2
|
26.8
|
0.5
|
OXT
|
A:ACT202
|
3.4
|
33.3
|
0.5
|
C
|
A:ACT202
|
3.4
|
26.1
|
0.5
|
OXT
|
A:ACT202
|
3.5
|
20.4
|
0.5
|
O
|
A:ACT202
|
3.6
|
34.4
|
0.5
|
CE2
|
A:TYR124
|
3.6
|
26.6
|
1.0
|
C26
|
A:KM3201
|
3.8
|
32.0
|
1.0
|
FE1
|
D:KM3201
|
4.0
|
34.1
|
0.8
|
C15
|
A:KM3201
|
4.1
|
55.3
|
1.0
|
C13
|
A:KM3201
|
4.1
|
58.4
|
1.0
|
CH3
|
A:ACT202
|
4.1
|
28.7
|
0.5
|
CE1
|
A:TYR124
|
4.1
|
25.7
|
1.0
|
OH
|
D:TYR124
|
4.2
|
36.2
|
1.0
|
C21
|
A:KM3201
|
4.2
|
40.9
|
1.0
|
C19
|
A:KM3201
|
4.3
|
39.1
|
1.0
|
C14
|
A:KM3201
|
4.6
|
56.9
|
1.0
|
CH3
|
A:ACT202
|
4.6
|
29.4
|
0.5
|
C22
|
D:KM3201
|
4.7
|
47.1
|
1.0
|
N4
|
D:KM3201
|
4.8
|
48.7
|
1.0
|
N5
|
D:KM3201
|
4.8
|
40.5
|
1.0
|
C16
|
D:KM3201
|
4.8
|
51.8
|
1.0
|
C20
|
A:KM3201
|
4.8
|
42.5
|
1.0
|
C25
|
A:KM3201
|
5.0
|
25.5
|
1.0
|
|
Iron binding site 2 out
of 4 in 6vp1
Go back to
Iron Binding Sites List in 6vp1
Iron binding site 2 out
of 4 in the Artificial Metalloproteins with Dinuclear Iron Centers
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Artificial Metalloproteins with Dinuclear Iron Centers within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe201
b:34.3
occ:0.80
|
FE1
|
B:KM3201
|
0.0
|
34.3
|
0.8
|
OH
|
B:TYR124
|
1.9
|
35.6
|
1.0
|
N4
|
B:KM3201
|
1.9
|
49.5
|
1.0
|
N5
|
B:KM3201
|
2.0
|
43.0
|
1.0
|
N3
|
B:KM3201
|
2.0
|
35.6
|
1.0
|
OXT
|
B:ACT202
|
2.1
|
20.6
|
0.5
|
O
|
B:HOH301
|
2.2
|
39.5
|
1.0
|
C16
|
B:KM3201
|
2.9
|
54.7
|
1.0
|
C11
|
B:KM3201
|
2.9
|
37.3
|
1.0
|
C22
|
B:KM3201
|
2.9
|
47.8
|
1.0
|
C23
|
B:KM3201
|
2.9
|
37.0
|
1.0
|
C12
|
B:KM3201
|
2.9
|
46.0
|
1.0
|
C17
|
B:KM3201
|
3.0
|
37.9
|
1.0
|
C18
|
B:KM3201
|
3.0
|
40.2
|
1.0
|
CZ
|
B:TYR124
|
3.1
|
30.5
|
1.0
|
C
|
B:ACT202
|
3.2
|
26.6
|
0.5
|
C
|
B:ACT202
|
3.4
|
28.1
|
0.5
|
O
|
B:ACT202
|
3.5
|
20.6
|
0.5
|
O
|
B:ACT202
|
3.5
|
30.1
|
0.5
|
OXT
|
B:ACT202
|
3.6
|
32.5
|
0.5
|
CE2
|
B:TYR124
|
3.7
|
28.9
|
1.0
|
C26
|
B:KM3201
|
3.8
|
32.6
|
1.0
|
FE1
|
C:KM3201
|
4.0
|
33.5
|
0.8
|
C15
|
B:KM3201
|
4.1
|
52.3
|
1.0
|
C13
|
B:KM3201
|
4.1
|
57.9
|
1.0
|
CH3
|
B:ACT202
|
4.1
|
30.7
|
0.5
|
OH
|
C:TYR124
|
4.1
|
36.3
|
1.0
|
CE1
|
B:TYR124
|
4.2
|
27.4
|
1.0
|
C21
|
B:KM3201
|
4.3
|
42.3
|
1.0
|
C19
|
B:KM3201
|
4.3
|
41.0
|
1.0
|
CH3
|
B:ACT202
|
4.5
|
27.9
|
0.5
|
C14
|
B:KM3201
|
4.5
|
56.9
|
1.0
|
C22
|
C:KM3201
|
4.7
|
46.8
|
1.0
|
N4
|
C:KM3201
|
4.8
|
49.2
|
1.0
|
N5
|
C:KM3201
|
4.8
|
42.0
|
1.0
|
C16
|
C:KM3201
|
4.8
|
54.0
|
1.0
|
C20
|
B:KM3201
|
4.8
|
44.0
|
1.0
|
C25
|
B:KM3201
|
5.0
|
25.3
|
1.0
|
|
Iron binding site 3 out
of 4 in 6vp1
Go back to
Iron Binding Sites List in 6vp1
Iron binding site 3 out
of 4 in the Artificial Metalloproteins with Dinuclear Iron Centers
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Artificial Metalloproteins with Dinuclear Iron Centers within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe201
b:33.5
occ:0.80
|
FE1
|
C:KM3201
|
0.0
|
33.5
|
0.8
|
OH
|
C:TYR124
|
1.9
|
36.3
|
1.0
|
N4
|
C:KM3201
|
1.9
|
49.2
|
1.0
|
N5
|
C:KM3201
|
2.0
|
42.0
|
1.0
|
N3
|
C:KM3201
|
2.0
|
33.7
|
1.0
|
O
|
B:HOH301
|
2.1
|
39.5
|
1.0
|
O
|
B:ACT202
|
2.1
|
20.6
|
0.5
|
C16
|
C:KM3201
|
2.9
|
54.0
|
1.0
|
C11
|
C:KM3201
|
2.9
|
36.3
|
1.0
|
C23
|
C:KM3201
|
2.9
|
36.2
|
1.0
|
C22
|
C:KM3201
|
2.9
|
46.8
|
1.0
|
C12
|
C:KM3201
|
2.9
|
44.6
|
1.0
|
C17
|
C:KM3201
|
3.0
|
35.3
|
1.0
|
C18
|
C:KM3201
|
3.0
|
38.7
|
1.0
|
CZ
|
C:TYR124
|
3.1
|
30.6
|
1.0
|
C
|
B:ACT202
|
3.1
|
28.1
|
0.5
|
OXT
|
B:ACT202
|
3.4
|
32.5
|
0.5
|
O
|
B:ACT202
|
3.5
|
30.1
|
0.5
|
OXT
|
B:ACT202
|
3.5
|
20.6
|
0.5
|
C
|
B:ACT202
|
3.6
|
26.6
|
0.5
|
CE2
|
C:TYR124
|
3.7
|
27.3
|
1.0
|
C26
|
C:KM3201
|
3.8
|
32.2
|
1.0
|
FE1
|
B:KM3201
|
4.0
|
34.3
|
0.8
|
C15
|
C:KM3201
|
4.1
|
51.6
|
1.0
|
C13
|
C:KM3201
|
4.1
|
57.3
|
1.0
|
OH
|
B:TYR124
|
4.1
|
35.6
|
1.0
|
CE1
|
C:TYR124
|
4.2
|
28.1
|
1.0
|
C21
|
C:KM3201
|
4.3
|
41.4
|
1.0
|
C19
|
C:KM3201
|
4.3
|
40.2
|
1.0
|
CH3
|
B:ACT202
|
4.5
|
30.7
|
0.5
|
C14
|
C:KM3201
|
4.6
|
54.2
|
1.0
|
CH3
|
B:ACT202
|
4.6
|
27.9
|
0.5
|
C22
|
B:KM3201
|
4.7
|
47.8
|
1.0
|
N4
|
B:KM3201
|
4.8
|
49.5
|
1.0
|
N5
|
B:KM3201
|
4.8
|
43.0
|
1.0
|
C16
|
B:KM3201
|
4.8
|
54.7
|
1.0
|
C20
|
C:KM3201
|
4.8
|
41.0
|
1.0
|
|
Iron binding site 4 out
of 4 in 6vp1
Go back to
Iron Binding Sites List in 6vp1
Iron binding site 4 out
of 4 in the Artificial Metalloproteins with Dinuclear Iron Centers
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Artificial Metalloproteins with Dinuclear Iron Centers within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe201
b:34.1
occ:0.80
|
FE1
|
D:KM3201
|
0.0
|
34.1
|
0.8
|
OH
|
D:TYR124
|
1.9
|
36.2
|
1.0
|
N4
|
D:KM3201
|
1.9
|
48.7
|
1.0
|
N5
|
D:KM3201
|
2.0
|
40.5
|
1.0
|
N3
|
D:KM3201
|
2.0
|
34.3
|
1.0
|
O
|
A:HOH301
|
2.1
|
37.4
|
1.0
|
OXT
|
A:ACT202
|
2.2
|
20.4
|
0.5
|
C16
|
D:KM3201
|
2.9
|
51.8
|
1.0
|
C11
|
D:KM3201
|
2.9
|
38.0
|
1.0
|
C23
|
D:KM3201
|
2.9
|
37.6
|
1.0
|
C22
|
D:KM3201
|
2.9
|
47.1
|
1.0
|
C12
|
D:KM3201
|
2.9
|
45.3
|
1.0
|
C17
|
D:KM3201
|
3.0
|
37.2
|
1.0
|
C18
|
D:KM3201
|
3.0
|
39.2
|
1.0
|
CZ
|
D:TYR124
|
3.1
|
28.9
|
1.0
|
C
|
A:ACT202
|
3.2
|
26.1
|
0.5
|
O
|
A:ACT202
|
3.5
|
34.4
|
0.5
|
C
|
A:ACT202
|
3.5
|
26.8
|
0.5
|
O
|
A:ACT202
|
3.5
|
21.4
|
0.5
|
OXT
|
A:ACT202
|
3.6
|
33.3
|
0.5
|
CE2
|
D:TYR124
|
3.7
|
26.3
|
1.0
|
C26
|
D:KM3201
|
3.8
|
34.9
|
1.0
|
FE1
|
A:KM3201
|
4.0
|
33.5
|
0.8
|
C15
|
D:KM3201
|
4.1
|
51.4
|
1.0
|
C13
|
D:KM3201
|
4.1
|
57.0
|
1.0
|
CH3
|
A:ACT202
|
4.1
|
29.4
|
0.5
|
CE1
|
D:TYR124
|
4.2
|
26.9
|
1.0
|
OH
|
A:TYR124
|
4.2
|
33.6
|
1.0
|
C21
|
D:KM3201
|
4.3
|
41.3
|
1.0
|
C19
|
D:KM3201
|
4.3
|
40.0
|
1.0
|
CH3
|
A:ACT202
|
4.5
|
28.7
|
0.5
|
C14
|
D:KM3201
|
4.6
|
52.1
|
1.0
|
C22
|
A:KM3201
|
4.7
|
46.7
|
1.0
|
N5
|
A:KM3201
|
4.8
|
42.2
|
1.0
|
N4
|
A:KM3201
|
4.8
|
50.0
|
1.0
|
C20
|
D:KM3201
|
4.8
|
43.5
|
1.0
|
C16
|
A:KM3201
|
4.8
|
54.6
|
1.0
|
C25
|
D:KM3201
|
5.0
|
26.7
|
1.0
|
|
Reference:
K.R.Miller,
S.Biswas,
A.J.Jasniewski,
A.H.Follmer,
A.Biswas,
T.Albert,
S.Sabuncu,
E.L.Bominaar,
M.P.Hendrich,
P.Moenne-Loccoz,
A.S.Borovik.
Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers To Be Published.
Page generated: Wed Aug 7 13:32:44 2024
|