Iron in PDB 6dhy: Crystallogrpahic Tetramer of Zn-Bound RIDC1 Variant Bearing Two Disulfide Bonded Cysteines
Protein crystallography data
The structure of Crystallogrpahic Tetramer of Zn-Bound RIDC1 Variant Bearing Two Disulfide Bonded Cysteines, PDB code: 6dhy
was solved by
F.A.Tezcan,
L.A.Churchfield,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
42.84 /
2.22
|
Space group
|
P 61
|
Cell size a, b, c (Å), α, β, γ (°)
|
52.510,
52.510,
255.670,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
22.9 /
25.8
|
Other elements in 6dhy:
The structure of Crystallogrpahic Tetramer of Zn-Bound RIDC1 Variant Bearing Two Disulfide Bonded Cysteines also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Crystallogrpahic Tetramer of Zn-Bound RIDC1 Variant Bearing Two Disulfide Bonded Cysteines
(pdb code 6dhy). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Crystallogrpahic Tetramer of Zn-Bound RIDC1 Variant Bearing Two Disulfide Bonded Cysteines, PDB code: 6dhy:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 6dhy
Go back to
Iron Binding Sites List in 6dhy
Iron binding site 1 out
of 4 in the Crystallogrpahic Tetramer of Zn-Bound RIDC1 Variant Bearing Two Disulfide Bonded Cysteines
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystallogrpahic Tetramer of Zn-Bound RIDC1 Variant Bearing Two Disulfide Bonded Cysteines within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:29.5
occ:1.00
|
FE
|
A:HEM201
|
0.0
|
29.5
|
1.0
|
ND
|
A:HEM201
|
1.9
|
29.6
|
1.0
|
NA
|
A:HEM201
|
2.0
|
31.1
|
1.0
|
NB
|
A:HEM201
|
2.1
|
30.0
|
1.0
|
NC
|
A:HEM201
|
2.1
|
30.0
|
1.0
|
NE2
|
A:HIS102
|
2.2
|
28.2
|
1.0
|
SD
|
A:MET7
|
2.2
|
25.4
|
1.0
|
C4D
|
A:HEM201
|
2.9
|
30.4
|
1.0
|
C1D
|
A:HEM201
|
2.9
|
30.1
|
1.0
|
C1A
|
A:HEM201
|
3.0
|
30.9
|
1.0
|
C4B
|
A:HEM201
|
3.1
|
29.2
|
1.0
|
C1B
|
A:HEM201
|
3.1
|
30.2
|
1.0
|
C4A
|
A:HEM201
|
3.1
|
31.5
|
1.0
|
C4C
|
A:HEM201
|
3.1
|
30.3
|
1.0
|
C1C
|
A:HEM201
|
3.1
|
29.4
|
1.0
|
CD2
|
A:HIS102
|
3.1
|
29.2
|
1.0
|
CE1
|
A:HIS102
|
3.2
|
28.4
|
1.0
|
CG
|
A:MET7
|
3.4
|
25.4
|
1.0
|
CHA
|
A:HEM201
|
3.4
|
30.7
|
1.0
|
CHD
|
A:HEM201
|
3.4
|
29.6
|
1.0
|
CHB
|
A:HEM201
|
3.4
|
30.9
|
1.0
|
CHC
|
A:HEM201
|
3.5
|
29.3
|
1.0
|
CE
|
A:MET7
|
3.6
|
25.3
|
1.0
|
C3D
|
A:HEM201
|
4.2
|
29.9
|
1.0
|
C2D
|
A:HEM201
|
4.2
|
29.9
|
1.0
|
CB
|
A:MET7
|
4.2
|
25.7
|
1.0
|
C3A
|
A:HEM201
|
4.3
|
32.0
|
1.0
|
C2A
|
A:HEM201
|
4.3
|
32.6
|
1.0
|
C2B
|
A:HEM201
|
4.3
|
29.6
|
1.0
|
CG
|
A:HIS102
|
4.3
|
30.1
|
1.0
|
ND1
|
A:HIS102
|
4.3
|
29.3
|
1.0
|
C2C
|
A:HEM201
|
4.3
|
30.0
|
1.0
|
C3B
|
A:HEM201
|
4.3
|
30.0
|
1.0
|
C3C
|
A:HEM201
|
4.3
|
30.4
|
1.0
|
CA
|
A:MET7
|
5.0
|
25.9
|
1.0
|
NE
|
A:ARG106
|
5.0
|
48.1
|
1.0
|
|
Iron binding site 2 out
of 4 in 6dhy
Go back to
Iron Binding Sites List in 6dhy
Iron binding site 2 out
of 4 in the Crystallogrpahic Tetramer of Zn-Bound RIDC1 Variant Bearing Two Disulfide Bonded Cysteines
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystallogrpahic Tetramer of Zn-Bound RIDC1 Variant Bearing Two Disulfide Bonded Cysteines within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe201
b:39.0
occ:1.00
|
FE
|
B:HEM201
|
0.0
|
39.0
|
1.0
|
ND
|
B:HEM201
|
1.9
|
37.6
|
1.0
|
NA
|
B:HEM201
|
2.0
|
39.4
|
1.0
|
NB
|
B:HEM201
|
2.1
|
37.2
|
1.0
|
NC
|
B:HEM201
|
2.1
|
35.9
|
1.0
|
NE2
|
B:HIS102
|
2.4
|
33.5
|
1.0
|
SD
|
B:MET7
|
2.4
|
41.8
|
1.0
|
C4D
|
B:HEM201
|
2.9
|
37.8
|
1.0
|
C1D
|
B:HEM201
|
2.9
|
36.6
|
1.0
|
C1A
|
B:HEM201
|
3.0
|
39.7
|
1.0
|
C4A
|
B:HEM201
|
3.0
|
40.1
|
1.0
|
C4B
|
B:HEM201
|
3.0
|
36.5
|
1.0
|
C1B
|
B:HEM201
|
3.0
|
38.1
|
1.0
|
C4C
|
B:HEM201
|
3.1
|
35.6
|
1.0
|
C1C
|
B:HEM201
|
3.1
|
34.7
|
1.0
|
CE1
|
B:HIS102
|
3.3
|
33.5
|
1.0
|
CG
|
B:MET7
|
3.3
|
41.5
|
1.0
|
CD2
|
B:HIS102
|
3.4
|
34.1
|
1.0
|
CHA
|
B:HEM201
|
3.4
|
38.9
|
1.0
|
CHB
|
B:HEM201
|
3.4
|
39.1
|
1.0
|
CHD
|
B:HEM201
|
3.4
|
36.0
|
1.0
|
CHC
|
B:HEM201
|
3.5
|
34.8
|
1.0
|
CE
|
B:MET7
|
3.6
|
39.9
|
1.0
|
CB
|
B:MET7
|
4.0
|
42.4
|
1.0
|
C3D
|
B:HEM201
|
4.2
|
38.0
|
1.0
|
C2D
|
B:HEM201
|
4.2
|
36.9
|
1.0
|
C2A
|
B:HEM201
|
4.2
|
41.5
|
1.0
|
C3A
|
B:HEM201
|
4.2
|
40.9
|
1.0
|
C2B
|
B:HEM201
|
4.3
|
37.5
|
1.0
|
C3B
|
B:HEM201
|
4.3
|
36.3
|
1.0
|
C2C
|
B:HEM201
|
4.3
|
33.7
|
1.0
|
C3C
|
B:HEM201
|
4.3
|
33.1
|
1.0
|
ND1
|
B:HIS102
|
4.4
|
33.7
|
1.0
|
CG
|
B:HIS102
|
4.5
|
34.2
|
1.0
|
CA
|
B:MET7
|
4.7
|
43.1
|
1.0
|
|
Iron binding site 3 out
of 4 in 6dhy
Go back to
Iron Binding Sites List in 6dhy
Iron binding site 3 out
of 4 in the Crystallogrpahic Tetramer of Zn-Bound RIDC1 Variant Bearing Two Disulfide Bonded Cysteines
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystallogrpahic Tetramer of Zn-Bound RIDC1 Variant Bearing Two Disulfide Bonded Cysteines within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe201
b:25.3
occ:1.00
|
FE
|
C:HEM201
|
0.0
|
25.3
|
1.0
|
ND
|
C:HEM201
|
1.9
|
26.1
|
1.0
|
NA
|
C:HEM201
|
2.0
|
26.1
|
1.0
|
NE2
|
C:HIS102
|
2.1
|
23.3
|
1.0
|
NC
|
C:HEM201
|
2.1
|
25.3
|
1.0
|
NB
|
C:HEM201
|
2.1
|
24.0
|
1.0
|
SD
|
C:MET7
|
2.5
|
30.5
|
1.0
|
C4D
|
C:HEM201
|
2.9
|
26.7
|
1.0
|
C1D
|
C:HEM201
|
2.9
|
26.2
|
1.0
|
CE1
|
C:HIS102
|
3.0
|
23.7
|
1.0
|
C1A
|
C:HEM201
|
3.0
|
26.6
|
1.0
|
C4B
|
C:HEM201
|
3.0
|
24.2
|
1.0
|
C4A
|
C:HEM201
|
3.1
|
26.3
|
1.0
|
C1C
|
C:HEM201
|
3.1
|
25.0
|
1.0
|
C1B
|
C:HEM201
|
3.1
|
24.1
|
1.0
|
C4C
|
C:HEM201
|
3.1
|
25.8
|
1.0
|
CD2
|
C:HIS102
|
3.1
|
24.0
|
1.0
|
CHA
|
C:HEM201
|
3.3
|
26.8
|
1.0
|
CHC
|
C:HEM201
|
3.4
|
24.4
|
1.0
|
CHD
|
C:HEM201
|
3.5
|
25.7
|
1.0
|
CHB
|
C:HEM201
|
3.5
|
25.1
|
1.0
|
CE
|
C:MET7
|
3.5
|
29.7
|
1.0
|
CG
|
C:MET7
|
3.6
|
30.7
|
1.0
|
ND1
|
C:HIS102
|
4.1
|
23.7
|
1.0
|
C3D
|
C:HEM201
|
4.2
|
27.1
|
1.0
|
C2D
|
C:HEM201
|
4.2
|
26.2
|
1.0
|
C2A
|
C:HEM201
|
4.2
|
28.0
|
1.0
|
CG
|
C:HIS102
|
4.2
|
24.6
|
1.0
|
C3A
|
C:HEM201
|
4.2
|
27.4
|
1.0
|
CB
|
C:MET7
|
4.3
|
31.1
|
1.0
|
C2C
|
C:HEM201
|
4.3
|
25.6
|
1.0
|
C2B
|
C:HEM201
|
4.3
|
23.0
|
1.0
|
C3C
|
C:HEM201
|
4.3
|
25.9
|
1.0
|
C3B
|
C:HEM201
|
4.3
|
23.5
|
1.0
|
NH1
|
C:ARG106
|
4.4
|
26.5
|
1.0
|
|
Iron binding site 4 out
of 4 in 6dhy
Go back to
Iron Binding Sites List in 6dhy
Iron binding site 4 out
of 4 in the Crystallogrpahic Tetramer of Zn-Bound RIDC1 Variant Bearing Two Disulfide Bonded Cysteines
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystallogrpahic Tetramer of Zn-Bound RIDC1 Variant Bearing Two Disulfide Bonded Cysteines within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe201
b:36.9
occ:1.00
|
FE
|
D:HEM201
|
0.0
|
36.9
|
1.0
|
ND
|
D:HEM201
|
1.9
|
35.6
|
1.0
|
NA
|
D:HEM201
|
2.0
|
36.0
|
1.0
|
NC
|
D:HEM201
|
2.1
|
34.9
|
1.0
|
NB
|
D:HEM201
|
2.1
|
34.2
|
1.0
|
NE2
|
D:HIS102
|
2.4
|
37.4
|
1.0
|
SD
|
D:MET7
|
2.6
|
41.0
|
1.0
|
C4D
|
D:HEM201
|
2.9
|
34.8
|
1.0
|
C1D
|
D:HEM201
|
2.9
|
35.5
|
1.0
|
C4A
|
D:HEM201
|
3.0
|
36.3
|
1.0
|
C1A
|
D:HEM201
|
3.0
|
35.8
|
1.0
|
C1B
|
D:HEM201
|
3.0
|
35.1
|
1.0
|
C4B
|
D:HEM201
|
3.1
|
33.8
|
1.0
|
C1C
|
D:HEM201
|
3.1
|
34.4
|
1.0
|
C4C
|
D:HEM201
|
3.1
|
35.2
|
1.0
|
CD2
|
D:HIS102
|
3.3
|
38.6
|
1.0
|
CE
|
D:MET7
|
3.4
|
39.1
|
1.0
|
CHA
|
D:HEM201
|
3.4
|
35.1
|
1.0
|
CHB
|
D:HEM201
|
3.4
|
35.6
|
1.0
|
CHD
|
D:HEM201
|
3.4
|
35.5
|
1.0
|
CHC
|
D:HEM201
|
3.5
|
33.7
|
1.0
|
CE1
|
D:HIS102
|
3.5
|
36.7
|
1.0
|
CG
|
D:MET7
|
3.6
|
43.3
|
1.0
|
C3D
|
D:HEM201
|
4.2
|
35.9
|
1.0
|
C2D
|
D:HEM201
|
4.2
|
35.5
|
1.0
|
C3A
|
D:HEM201
|
4.2
|
36.5
|
1.0
|
C2A
|
D:HEM201
|
4.2
|
36.3
|
1.0
|
C2C
|
D:HEM201
|
4.3
|
34.5
|
1.0
|
C3C
|
D:HEM201
|
4.3
|
34.6
|
1.0
|
C2B
|
D:HEM201
|
4.3
|
34.2
|
1.0
|
C3B
|
D:HEM201
|
4.3
|
33.9
|
1.0
|
CB
|
D:MET7
|
4.4
|
45.3
|
1.0
|
CG
|
D:HIS102
|
4.5
|
38.9
|
1.0
|
ND1
|
D:HIS102
|
4.5
|
38.1
|
1.0
|
|
Reference:
L.A.Churchfield,
R.G.Alberstein,
L.M.Williamson,
F.A.Tezcan.
Determining the Structural and Energetic Basis of Allostery in A De Novo Designed Metalloprotein Assembly. J. Am. Chem. Soc. V. 140 10043 2018.
ISSN: ESSN 1520-5126
PubMed: 29996654
DOI: 10.1021/JACS.8B05812
Page generated: Tue Aug 6 16:28:54 2024
|