Iron in PDB 7dgm: The Dimeric Structure of K79H/G80A/H81A Myoglobin
Protein crystallography data
The structure of The Dimeric Structure of K79H/G80A/H81A Myoglobin, PDB code: 7dgm
was solved by
S.Nagao,
A.Idomoto,
N.Shibata,
Y.Higuchi,
S.Hirota,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.15 /
1.62
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
57.227,
62.897,
82.962,
90,
90,
90
|
R / Rfree (%)
|
20.2 /
22.3
|
Iron Binding Sites:
The binding sites of Iron atom in the The Dimeric Structure of K79H/G80A/H81A Myoglobin
(pdb code 7dgm). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the
The Dimeric Structure of K79H/G80A/H81A Myoglobin, PDB code: 7dgm:
Jump to Iron binding site number:
1;
2;
Iron binding site 1 out
of 2 in 7dgm
Go back to
Iron Binding Sites List in 7dgm
Iron binding site 1 out
of 2 in the The Dimeric Structure of K79H/G80A/H81A Myoglobin
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of The Dimeric Structure of K79H/G80A/H81A Myoglobin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:18.6
occ:1.00
|
FE
|
A:HEM201
|
0.0
|
18.6
|
1.0
|
ND
|
A:HEM201
|
1.9
|
19.2
|
1.0
|
NE2
|
A:HIS93
|
2.0
|
22.0
|
1.0
|
NA
|
A:HEM201
|
2.0
|
18.6
|
1.0
|
O
|
B:O201
|
2.0
|
21.0
|
1.0
|
NC
|
A:HEM201
|
2.1
|
18.2
|
1.0
|
NB
|
A:HEM201
|
2.1
|
17.7
|
1.0
|
C4D
|
A:HEM201
|
2.9
|
20.1
|
1.0
|
C1D
|
A:HEM201
|
3.0
|
20.8
|
1.0
|
CE1
|
A:HIS93
|
3.0
|
21.5
|
1.0
|
C1A
|
A:HEM201
|
3.0
|
19.5
|
1.0
|
C4B
|
A:HEM201
|
3.0
|
18.5
|
1.0
|
C4C
|
A:HEM201
|
3.0
|
19.9
|
1.0
|
C4A
|
A:HEM201
|
3.1
|
19.7
|
1.0
|
CD2
|
A:HIS93
|
3.1
|
20.7
|
1.0
|
C1B
|
A:HEM201
|
3.1
|
18.2
|
1.0
|
C1C
|
A:HEM201
|
3.1
|
18.9
|
1.0
|
CHA
|
A:HEM201
|
3.4
|
19.2
|
1.0
|
CHD
|
A:HEM201
|
3.4
|
19.4
|
1.0
|
CHC
|
A:HEM201
|
3.5
|
18.2
|
1.0
|
CHB
|
A:HEM201
|
3.5
|
18.0
|
1.0
|
ND1
|
A:HIS93
|
4.1
|
21.5
|
1.0
|
CG
|
A:HIS93
|
4.2
|
21.0
|
1.0
|
C2D
|
A:HEM201
|
4.2
|
19.5
|
1.0
|
C3D
|
A:HEM201
|
4.2
|
21.2
|
1.0
|
C2A
|
A:HEM201
|
4.2
|
18.7
|
1.0
|
C3A
|
A:HEM201
|
4.2
|
19.1
|
1.0
|
C3C
|
A:HEM201
|
4.2
|
20.7
|
1.0
|
C2C
|
A:HEM201
|
4.3
|
20.0
|
1.0
|
C2B
|
A:HEM201
|
4.3
|
16.7
|
1.0
|
C3B
|
A:HEM201
|
4.3
|
17.2
|
1.0
|
NE2
|
B:HIS64
|
4.3
|
23.1
|
1.0
|
CG2
|
B:VAL68
|
4.7
|
19.3
|
1.0
|
CE1
|
B:HIS64
|
4.8
|
23.2
|
1.0
|
CD2
|
A:HIS97
|
4.9
|
23.8
|
1.0
|
|
Iron binding site 2 out
of 2 in 7dgm
Go back to
Iron Binding Sites List in 7dgm
Iron binding site 2 out
of 2 in the The Dimeric Structure of K79H/G80A/H81A Myoglobin
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of The Dimeric Structure of K79H/G80A/H81A Myoglobin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe202
b:19.8
occ:1.00
|
FE
|
B:HEM202
|
0.0
|
19.8
|
1.0
|
ND
|
B:HEM202
|
1.9
|
20.6
|
1.0
|
NE2
|
B:HIS93
|
2.0
|
23.5
|
1.0
|
NA
|
B:HEM202
|
2.0
|
21.9
|
1.0
|
O
|
A:O202
|
2.0
|
24.5
|
1.0
|
NC
|
B:HEM202
|
2.1
|
19.6
|
1.0
|
NB
|
B:HEM202
|
2.1
|
18.2
|
1.0
|
CE1
|
B:HIS93
|
2.9
|
23.4
|
1.0
|
C1D
|
B:HEM202
|
3.0
|
22.7
|
1.0
|
C4D
|
B:HEM202
|
3.0
|
24.6
|
1.0
|
C1A
|
B:HEM202
|
3.0
|
25.4
|
1.0
|
C4C
|
B:HEM202
|
3.0
|
20.2
|
1.0
|
C4A
|
B:HEM202
|
3.0
|
20.9
|
1.0
|
C1B
|
B:HEM202
|
3.1
|
18.9
|
1.0
|
CD2
|
B:HIS93
|
3.1
|
21.7
|
1.0
|
C4B
|
B:HEM202
|
3.1
|
19.1
|
1.0
|
C1C
|
B:HEM202
|
3.1
|
18.3
|
1.0
|
CHD
|
B:HEM202
|
3.4
|
22.2
|
1.0
|
CHA
|
B:HEM202
|
3.4
|
23.5
|
1.0
|
CHB
|
B:HEM202
|
3.5
|
19.3
|
1.0
|
CHC
|
B:HEM202
|
3.5
|
17.6
|
1.0
|
ND1
|
B:HIS93
|
4.1
|
23.1
|
1.0
|
CG
|
B:HIS93
|
4.2
|
22.1
|
1.0
|
C2A
|
B:HEM202
|
4.2
|
25.2
|
1.0
|
C3D
|
B:HEM202
|
4.2
|
25.8
|
1.0
|
C3A
|
B:HEM202
|
4.2
|
23.4
|
1.0
|
C2D
|
B:HEM202
|
4.2
|
24.8
|
1.0
|
C3C
|
B:HEM202
|
4.3
|
18.8
|
1.0
|
NE2
|
A:HIS64
|
4.3
|
26.4
|
1.0
|
C2C
|
B:HEM202
|
4.3
|
18.9
|
1.0
|
C2B
|
B:HEM202
|
4.3
|
18.2
|
1.0
|
C3B
|
B:HEM202
|
4.3
|
17.6
|
1.0
|
CE1
|
A:HIS64
|
4.7
|
27.0
|
1.0
|
CG2
|
A:VAL68
|
4.8
|
22.7
|
1.0
|
CD2
|
B:HIS97
|
4.9
|
27.1
|
1.0
|
|
Reference:
S.Nagao,
A.Idomoto,
N.Shibata,
Y.Higuchi,
S.Hirota.
Rational Design of Metal-Binding Sites in Domain-Swapped Myoglobin Dimers. J.Inorg.Biochem. 2021.
ISSN: ISSN 0162-0134
DOI: 10.1016/J.JINORGBIO.2021.111374
Page generated: Thu Aug 8 03:56:07 2024
|