Iron in PDB 8gbk: DRI1 Hemoprotein Variant H79A-R90A with A Zinc-Mirror Heme Site
Protein crystallography data
The structure of DRI1 Hemoprotein Variant H79A-R90A with A Zinc-Mirror Heme Site, PDB code: 8gbk
was solved by
E.F.Yee,
C.Blaby-Haas,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.94 /
2.90
|
Space group
|
P 43
|
Cell size a, b, c (Å), α, β, γ (°)
|
91.815,
91.815,
144.306,
90,
90,
90
|
R / Rfree (%)
|
31.1 /
32.6
|
Iron Binding Sites:
The binding sites of Iron atom in the DRI1 Hemoprotein Variant H79A-R90A with A Zinc-Mirror Heme Site
(pdb code 8gbk). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
DRI1 Hemoprotein Variant H79A-R90A with A Zinc-Mirror Heme Site, PDB code: 8gbk:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 8gbk
Go back to
Iron Binding Sites List in 8gbk
Iron binding site 1 out
of 4 in the DRI1 Hemoprotein Variant H79A-R90A with A Zinc-Mirror Heme Site
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of DRI1 Hemoprotein Variant H79A-R90A with A Zinc-Mirror Heme Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe201
b:49.4
occ:1.00
|
FE
|
H:HEB201
|
0.0
|
49.4
|
1.0
|
NB
|
H:HEB201
|
2.0
|
50.4
|
1.0
|
NA
|
H:HEB201
|
2.0
|
53.7
|
1.0
|
NC
|
H:HEB201
|
2.1
|
49.8
|
1.0
|
ND
|
H:HEB201
|
2.1
|
49.5
|
1.0
|
C4B
|
H:HEB201
|
2.9
|
51.3
|
1.0
|
C1C
|
H:HEB201
|
3.0
|
56.7
|
1.0
|
C1B
|
H:HEB201
|
3.0
|
53.7
|
1.0
|
C1A
|
H:HEB201
|
3.0
|
58.6
|
1.0
|
C4D
|
H:HEB201
|
3.0
|
60.0
|
1.0
|
C4A
|
H:HEB201
|
3.0
|
61.1
|
1.0
|
C4C
|
H:HEB201
|
3.1
|
49.8
|
1.0
|
C1D
|
H:HEB201
|
3.1
|
51.5
|
1.0
|
CHC
|
H:HEB201
|
3.3
|
61.2
|
1.0
|
CHA
|
H:HEB201
|
3.4
|
64.5
|
1.0
|
CHB
|
H:HEB201
|
3.4
|
61.1
|
1.0
|
CHD
|
H:HEB201
|
3.5
|
55.1
|
1.0
|
NE2
|
H:HIS16
|
3.5
|
65.5
|
1.0
|
CE1
|
G:HIS21
|
3.8
|
56.6
|
1.0
|
NE2
|
H:HIS21
|
3.8
|
60.2
|
1.0
|
CE1
|
G:HIS16
|
4.0
|
61.4
|
1.0
|
C3B
|
H:HEB201
|
4.2
|
56.0
|
1.0
|
HHC
|
H:HEB201
|
4.2
|
73.5
|
1.0
|
C2B
|
H:HEB201
|
4.2
|
51.0
|
1.0
|
C2A
|
H:HEB201
|
4.2
|
55.9
|
1.0
|
C2C
|
H:HEB201
|
4.3
|
63.7
|
1.0
|
C3A
|
H:HEB201
|
4.3
|
65.0
|
1.0
|
C3D
|
H:HEB201
|
4.3
|
65.2
|
1.0
|
C3C
|
H:HEB201
|
4.3
|
56.2
|
1.0
|
HHA
|
H:HEB201
|
4.3
|
77.5
|
1.0
|
C2D
|
H:HEB201
|
4.3
|
54.4
|
1.0
|
NE2
|
G:HIS21
|
4.3
|
52.4
|
1.0
|
HHB
|
H:HEB201
|
4.3
|
73.4
|
1.0
|
CE1
|
H:HIS16
|
4.4
|
76.5
|
1.0
|
CD2
|
H:HIS16
|
4.4
|
63.5
|
1.0
|
CE1
|
H:HIS21
|
4.5
|
54.1
|
1.0
|
HHD
|
H:HEB201
|
4.6
|
66.2
|
1.0
|
CD2
|
H:HIS21
|
4.8
|
55.7
|
1.0
|
NE2
|
G:HIS16
|
4.8
|
66.9
|
1.0
|
ND1
|
G:HIS21
|
4.8
|
55.3
|
1.0
|
ND1
|
G:HIS16
|
4.9
|
72.7
|
1.0
|
|
Iron binding site 2 out
of 4 in 8gbk
Go back to
Iron Binding Sites List in 8gbk
Iron binding site 2 out
of 4 in the DRI1 Hemoprotein Variant H79A-R90A with A Zinc-Mirror Heme Site
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of DRI1 Hemoprotein Variant H79A-R90A with A Zinc-Mirror Heme Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe201
b:58.4
occ:1.00
|
FE
|
E:HEB201
|
0.0
|
58.4
|
1.0
|
NB
|
E:HEB201
|
2.0
|
58.5
|
1.0
|
NA
|
E:HEB201
|
2.0
|
71.3
|
1.0
|
NC
|
E:HEB201
|
2.1
|
65.5
|
1.0
|
ND
|
E:HEB201
|
2.1
|
59.8
|
1.0
|
C4B
|
E:HEB201
|
3.0
|
61.2
|
1.0
|
C1C
|
E:HEB201
|
3.0
|
71.7
|
1.0
|
C1B
|
E:HEB201
|
3.0
|
62.8
|
1.0
|
C1A
|
E:HEB201
|
3.0
|
73.2
|
1.0
|
C4D
|
E:HEB201
|
3.0
|
67.6
|
1.0
|
C4A
|
E:HEB201
|
3.0
|
75.8
|
1.0
|
C4C
|
E:HEB201
|
3.1
|
69.7
|
1.0
|
C1D
|
E:HEB201
|
3.1
|
77.0
|
1.0
|
CHC
|
E:HEB201
|
3.4
|
69.6
|
1.0
|
CHA
|
E:HEB201
|
3.4
|
72.8
|
1.0
|
CHB
|
E:HEB201
|
3.4
|
71.5
|
1.0
|
CE1
|
B:HIS21
|
3.5
|
65.4
|
1.0
|
CHD
|
E:HEB201
|
3.5
|
76.6
|
1.0
|
CE1
|
E:HIS21
|
3.8
|
72.1
|
1.0
|
NE2
|
B:HIS21
|
4.0
|
68.1
|
1.0
|
NE2
|
E:HIS16
|
4.1
|
69.0
|
1.0
|
C3B
|
E:HEB201
|
4.2
|
64.9
|
1.0
|
C2B
|
E:HEB201
|
4.2
|
63.7
|
1.0
|
HHC
|
E:HEB201
|
4.2
|
83.5
|
1.0
|
C2A
|
E:HEB201
|
4.2
|
76.2
|
1.0
|
C2C
|
E:HEB201
|
4.3
|
74.2
|
1.0
|
C3A
|
E:HEB201
|
4.3
|
82.1
|
1.0
|
C3C
|
E:HEB201
|
4.3
|
70.2
|
1.0
|
C3D
|
E:HEB201
|
4.3
|
75.7
|
1.0
|
C2D
|
E:HEB201
|
4.3
|
81.2
|
1.0
|
NE2
|
E:HIS21
|
4.3
|
65.5
|
1.0
|
HHA
|
E:HEB201
|
4.3
|
87.3
|
1.0
|
NE2
|
B:HIS16
|
4.4
|
79.7
|
1.0
|
HHB
|
E:HEB201
|
4.4
|
85.8
|
1.0
|
ND1
|
B:HIS21
|
4.5
|
67.5
|
1.0
|
HHD
|
E:HEB201
|
4.5
|
91.9
|
1.0
|
CD1
|
B:ILE83
|
4.8
|
64.4
|
1.0
|
ND1
|
E:HIS21
|
4.9
|
76.5
|
1.0
|
|
Iron binding site 3 out
of 4 in 8gbk
Go back to
Iron Binding Sites List in 8gbk
Iron binding site 3 out
of 4 in the DRI1 Hemoprotein Variant H79A-R90A with A Zinc-Mirror Heme Site
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of DRI1 Hemoprotein Variant H79A-R90A with A Zinc-Mirror Heme Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:66.9
occ:1.00
|
FE
|
A:HEB201
|
0.0
|
66.9
|
1.0
|
NB
|
A:HEB201
|
2.0
|
69.5
|
1.0
|
NA
|
A:HEB201
|
2.1
|
76.2
|
1.0
|
NC
|
A:HEB201
|
2.1
|
78.0
|
1.0
|
ND
|
A:HEB201
|
2.1
|
74.7
|
1.0
|
C4B
|
A:HEB201
|
3.0
|
78.3
|
1.0
|
C1B
|
A:HEB201
|
3.0
|
77.1
|
1.0
|
C1C
|
A:HEB201
|
3.0
|
81.3
|
1.0
|
C1A
|
A:HEB201
|
3.0
|
77.5
|
1.0
|
C4A
|
A:HEB201
|
3.0
|
85.3
|
1.0
|
C4D
|
A:HEB201
|
3.1
|
73.3
|
1.0
|
C4C
|
A:HEB201
|
3.1
|
81.5
|
1.0
|
C1D
|
A:HEB201
|
3.1
|
80.2
|
1.0
|
CHC
|
A:HEB201
|
3.4
|
84.0
|
1.0
|
CHA
|
A:HEB201
|
3.4
|
77.9
|
1.0
|
CHB
|
A:HEB201
|
3.4
|
87.8
|
1.0
|
CHD
|
A:HEB201
|
3.5
|
78.8
|
1.0
|
NE2
|
C:HIS16
|
3.7
|
72.4
|
1.0
|
CE1
|
C:HIS21
|
3.8
|
80.0
|
1.0
|
CE1
|
A:HIS21
|
3.8
|
76.8
|
1.0
|
NE2
|
C:HIS21
|
4.1
|
83.7
|
1.0
|
NE2
|
A:HIS16
|
4.2
|
76.3
|
1.0
|
C3B
|
A:HEB201
|
4.2
|
84.9
|
1.0
|
C2B
|
A:HEB201
|
4.2
|
75.3
|
1.0
|
C2A
|
A:HEB201
|
4.3
|
77.2
|
1.0
|
C3A
|
A:HEB201
|
4.3
|
80.4
|
1.0
|
C2C
|
A:HEB201
|
4.3
|
85.1
|
1.0
|
C3C
|
A:HEB201
|
4.3
|
80.1
|
1.0
|
C3D
|
A:HEB201
|
4.3
|
77.0
|
1.0
|
HHC
|
A:HEB201
|
4.3
|
100.8
|
1.0
|
C2D
|
A:HEB201
|
4.3
|
81.2
|
1.0
|
NE2
|
A:HIS21
|
4.4
|
70.6
|
1.0
|
HHA
|
A:HEB201
|
4.4
|
93.4
|
1.0
|
HHB
|
A:HEB201
|
4.4
|
105.3
|
1.0
|
CD2
|
C:HIS16
|
4.5
|
75.0
|
1.0
|
HHD
|
A:HEB201
|
4.5
|
94.6
|
1.0
|
CE1
|
C:HIS16
|
4.6
|
83.6
|
1.0
|
ND1
|
C:HIS21
|
4.7
|
79.8
|
1.0
|
CD1
|
C:ILE83
|
4.8
|
65.9
|
1.0
|
ND1
|
A:HIS21
|
4.9
|
80.0
|
1.0
|
|
Iron binding site 4 out
of 4 in 8gbk
Go back to
Iron Binding Sites List in 8gbk
Iron binding site 4 out
of 4 in the DRI1 Hemoprotein Variant H79A-R90A with A Zinc-Mirror Heme Site
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of DRI1 Hemoprotein Variant H79A-R90A with A Zinc-Mirror Heme Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe201
b:60.5
occ:1.00
|
FE
|
D:HEB201
|
0.0
|
60.5
|
1.0
|
NB
|
D:HEB201
|
2.0
|
90.3
|
1.0
|
NA
|
D:HEB201
|
2.1
|
86.0
|
1.0
|
NC
|
D:HEB201
|
2.1
|
72.0
|
1.0
|
ND
|
D:HEB201
|
2.1
|
69.1
|
1.0
|
C4B
|
D:HEB201
|
3.0
|
86.5
|
1.0
|
C1B
|
D:HEB201
|
3.0
|
86.6
|
1.0
|
C1C
|
D:HEB201
|
3.0
|
84.1
|
1.0
|
C1A
|
D:HEB201
|
3.0
|
89.9
|
1.0
|
C4D
|
D:HEB201
|
3.0
|
81.8
|
1.0
|
C4A
|
D:HEB201
|
3.1
|
95.7
|
1.0
|
C4C
|
D:HEB201
|
3.1
|
77.5
|
1.0
|
C1D
|
D:HEB201
|
3.1
|
80.8
|
1.0
|
CHC
|
D:HEB201
|
3.4
|
83.4
|
1.0
|
CHA
|
D:HEB201
|
3.4
|
84.5
|
1.0
|
CHB
|
D:HEB201
|
3.4
|
87.6
|
1.0
|
CHD
|
D:HEB201
|
3.5
|
80.9
|
1.0
|
CE1
|
F:HIS21
|
3.8
|
80.1
|
1.0
|
CE1
|
D:HIS21
|
3.9
|
84.7
|
1.0
|
C3B
|
D:HEB201
|
4.2
|
91.7
|
1.0
|
NE2
|
F:HIS21
|
4.2
|
77.1
|
1.0
|
C2B
|
D:HEB201
|
4.2
|
83.6
|
1.0
|
NE2
|
F:HIS16
|
4.3
|
93.8
|
1.0
|
C3C
|
D:HEB201
|
4.3
|
83.0
|
1.0
|
C2C
|
D:HEB201
|
4.3
|
94.7
|
1.0
|
C2A
|
D:HEB201
|
4.3
|
101.8
|
1.0
|
C3D
|
D:HEB201
|
4.3
|
82.8
|
1.0
|
C3A
|
D:HEB201
|
4.3
|
92.7
|
1.0
|
C2D
|
D:HEB201
|
4.3
|
84.3
|
1.0
|
HHC
|
D:HEB201
|
4.4
|
100.1
|
1.0
|
HHB
|
D:HEB201
|
4.4
|
105.2
|
1.0
|
NE2
|
D:HIS21
|
4.4
|
82.4
|
1.0
|
HHA
|
D:HEB201
|
4.4
|
101.4
|
1.0
|
NE2
|
D:HIS16
|
4.5
|
84.7
|
1.0
|
HHD
|
D:HEB201
|
4.5
|
97.1
|
1.0
|
ND1
|
D:HIS21
|
4.9
|
81.1
|
1.0
|
ND1
|
F:HIS21
|
4.9
|
76.1
|
1.0
|
|
Reference:
N.Grosjean,
E.F.Yee,
D.Kumaran,
K.Chopra,
M.Abernathy,
S.Biswas,
J.Byrnes,
D.F.Kreitler,
J.F.Cheng,
A.Ghosh,
S.C.Almo,
M.Iwai,
K.K.Niyogi,
H.B.Pakrasi,
R.Sarangi,
H.Van Dam,
L.Yang,
I.K.Blaby,
C.E.Blaby-Haas.
A Hemoprotein with A Zinc-Mirror Heme Site Ties Heme Availability to Carbon Metabolism in Cyanobacteria. Nat Commun V. 15 3167 2024.
ISSN: ESSN 2041-1723
PubMed: 38609367
DOI: 10.1038/S41467-024-47486-Z
Page generated: Sat Aug 10 04:42:51 2024
|