Iron in PDB 4jet: 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis
Protein crystallography data
The structure of 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis, PDB code: 4jet
was solved by
R.Kumar,
S.Lovell,
K.P.Battaile,
M.Rivera,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
38.62 /
2.20
|
|
Space group
|
C 1 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
139.369,
69.559,
232.317,
90.00,
100.12,
90.00
|
|
R / Rfree (%)
|
16.6 /
22.3
|
Other elements in 4jet:
The structure of 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis
(pdb code 4jet). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the
2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis, PDB code: 4jet:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 10 in 4jet
Go back to
Iron Binding Sites List in 4jet
Iron binding site 1 out
of 10 in the 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:27.9
occ:1.00
|
FE
|
A:HEM201
|
0.0
|
27.9
|
1.0
|
|
ND
|
A:HEM201
|
1.9
|
19.4
|
1.0
|
|
NB
|
A:HEM201
|
2.0
|
19.5
|
1.0
|
|
NA
|
A:HEM201
|
2.1
|
28.5
|
1.0
|
|
NC
|
A:HEM201
|
2.1
|
20.3
|
1.0
|
|
OH
|
A:TYR75
|
2.2
|
28.3
|
1.0
|
|
C4D
|
A:HEM201
|
2.9
|
30.7
|
1.0
|
|
CL
|
A:CL202
|
3.0
|
51.3
|
1.0
|
|
C1D
|
A:HEM201
|
3.0
|
28.9
|
1.0
|
|
C4B
|
A:HEM201
|
3.0
|
27.4
|
1.0
|
|
C1A
|
A:HEM201
|
3.0
|
20.9
|
1.0
|
|
CZ
|
A:TYR75
|
3.1
|
23.0
|
1.0
|
|
C4A
|
A:HEM201
|
3.1
|
28.0
|
1.0
|
|
C1C
|
A:HEM201
|
3.1
|
13.0
|
1.0
|
|
C1B
|
A:HEM201
|
3.1
|
25.1
|
1.0
|
|
C4C
|
A:HEM201
|
3.2
|
17.9
|
1.0
|
|
CHA
|
A:HEM201
|
3.3
|
18.6
|
1.0
|
|
CHC
|
A:HEM201
|
3.4
|
25.0
|
1.0
|
|
CHD
|
A:HEM201
|
3.5
|
23.5
|
1.0
|
|
CHB
|
A:HEM201
|
3.5
|
27.9
|
1.0
|
|
CE2
|
A:TYR75
|
3.8
|
19.3
|
1.0
|
|
CE1
|
A:TYR75
|
3.8
|
18.9
|
1.0
|
|
ND1
|
A:HIS81
|
4.1
|
27.8
|
1.0
|
|
C3D
|
A:HEM201
|
4.1
|
27.1
|
1.0
|
|
C2D
|
A:HEM201
|
4.2
|
23.5
|
1.0
|
|
C3B
|
A:HEM201
|
4.3
|
27.7
|
1.0
|
|
C2A
|
A:HEM201
|
4.3
|
32.0
|
1.0
|
|
C3A
|
A:HEM201
|
4.3
|
29.8
|
1.0
|
|
C2B
|
A:HEM201
|
4.3
|
24.8
|
1.0
|
|
C3C
|
A:HEM201
|
4.4
|
22.9
|
1.0
|
|
C2C
|
A:HEM201
|
4.4
|
25.9
|
1.0
|
|
NH1
|
A:ARG40
|
4.4
|
28.0
|
1.0
|
|
CD
|
A:ARG40
|
4.7
|
44.2
|
1.0
|
|
CG
|
A:HIS81
|
4.8
|
33.8
|
1.0
|
|
CB
|
A:HIS81
|
4.8
|
32.9
|
1.0
|
|
CE1
|
A:HIS81
|
4.9
|
29.5
|
1.0
|
|
CD2
|
A:TYR75
|
5.0
|
25.0
|
1.0
|
|
Iron binding site 2 out
of 10 in 4jet
Go back to
Iron Binding Sites List in 4jet
Iron binding site 2 out
of 10 in the 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe201
b:26.7
occ:1.00
|
FE
|
B:HEM201
|
0.0
|
26.7
|
1.0
|
|
NB
|
B:HEM201
|
2.0
|
23.6
|
1.0
|
|
OH
|
B:TYR75
|
2.0
|
25.7
|
1.0
|
|
NA
|
B:HEM201
|
2.1
|
28.6
|
1.0
|
|
NC
|
B:HEM201
|
2.1
|
22.7
|
1.0
|
|
ND
|
B:HEM201
|
2.1
|
30.9
|
1.0
|
|
CZ
|
B:TYR75
|
3.0
|
20.6
|
1.0
|
|
C4B
|
B:HEM201
|
3.0
|
28.0
|
1.0
|
|
C1C
|
B:HEM201
|
3.1
|
25.8
|
1.0
|
|
C1A
|
B:HEM201
|
3.1
|
28.6
|
1.0
|
|
CL
|
B:CL202
|
3.1
|
50.2
|
1.0
|
|
C4D
|
B:HEM201
|
3.1
|
29.3
|
1.0
|
|
C4A
|
B:HEM201
|
3.1
|
25.4
|
1.0
|
|
C1D
|
B:HEM201
|
3.1
|
29.4
|
1.0
|
|
C4C
|
B:HEM201
|
3.1
|
21.9
|
1.0
|
|
C1B
|
B:HEM201
|
3.1
|
25.0
|
1.0
|
|
CHC
|
B:HEM201
|
3.4
|
23.9
|
1.0
|
|
CHA
|
B:HEM201
|
3.4
|
30.0
|
1.0
|
|
CHD
|
B:HEM201
|
3.5
|
30.3
|
1.0
|
|
CHB
|
B:HEM201
|
3.5
|
24.5
|
1.0
|
|
CE1
|
B:TYR75
|
3.7
|
18.4
|
1.0
|
|
CE2
|
B:TYR75
|
3.8
|
23.8
|
1.0
|
|
ND1
|
B:HIS81
|
4.0
|
31.6
|
1.0
|
|
C3B
|
B:HEM201
|
4.3
|
31.4
|
1.0
|
|
C3A
|
B:HEM201
|
4.3
|
30.8
|
1.0
|
|
C2C
|
B:HEM201
|
4.3
|
26.4
|
1.0
|
|
C2A
|
B:HEM201
|
4.3
|
29.6
|
1.0
|
|
C3C
|
B:HEM201
|
4.3
|
20.2
|
1.0
|
|
C2B
|
B:HEM201
|
4.3
|
28.9
|
1.0
|
|
C2D
|
B:HEM201
|
4.3
|
27.4
|
1.0
|
|
C3D
|
B:HEM201
|
4.3
|
32.1
|
1.0
|
|
NH1
|
B:ARG40
|
4.5
|
23.1
|
1.0
|
|
CE1
|
B:HIS81
|
4.7
|
27.6
|
1.0
|
|
CG
|
B:HIS81
|
4.8
|
32.8
|
1.0
|
|
CB
|
B:HIS81
|
4.9
|
28.3
|
1.0
|
|
CD1
|
B:TYR75
|
4.9
|
24.8
|
1.0
|
|
CD2
|
B:TYR75
|
5.0
|
18.0
|
1.0
|
|
Iron binding site 3 out
of 10 in 4jet
Go back to
Iron Binding Sites List in 4jet
Iron binding site 3 out
of 10 in the 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe201
b:22.9
occ:1.00
|
FE
|
C:HEM201
|
0.0
|
22.9
|
1.0
|
|
ND
|
C:HEM201
|
1.9
|
18.9
|
1.0
|
|
NB
|
C:HEM201
|
2.0
|
18.1
|
1.0
|
|
OH
|
C:TYR75
|
2.1
|
23.0
|
1.0
|
|
NA
|
C:HEM201
|
2.1
|
29.1
|
1.0
|
|
NC
|
C:HEM201
|
2.1
|
21.4
|
1.0
|
|
CL
|
C:CL202
|
2.7
|
40.1
|
1.0
|
|
C4D
|
C:HEM201
|
3.0
|
26.9
|
1.0
|
|
CZ
|
C:TYR75
|
3.0
|
19.1
|
1.0
|
|
C4B
|
C:HEM201
|
3.0
|
24.7
|
1.0
|
|
C1D
|
C:HEM201
|
3.0
|
29.2
|
1.0
|
|
C1B
|
C:HEM201
|
3.1
|
24.1
|
1.0
|
|
C1A
|
C:HEM201
|
3.1
|
23.8
|
1.0
|
|
C1C
|
C:HEM201
|
3.1
|
19.6
|
1.0
|
|
C4A
|
C:HEM201
|
3.1
|
21.9
|
1.0
|
|
C4C
|
C:HEM201
|
3.1
|
23.3
|
1.0
|
|
CHA
|
C:HEM201
|
3.4
|
22.4
|
1.0
|
|
CHC
|
C:HEM201
|
3.4
|
18.7
|
1.0
|
|
CHD
|
C:HEM201
|
3.5
|
21.8
|
1.0
|
|
CHB
|
C:HEM201
|
3.5
|
25.9
|
1.0
|
|
CE2
|
C:TYR75
|
3.7
|
17.9
|
1.0
|
|
CE1
|
C:TYR75
|
3.8
|
21.1
|
1.0
|
|
ND1
|
C:HIS81
|
3.9
|
28.4
|
1.0
|
|
C3D
|
C:HEM201
|
4.2
|
27.8
|
1.0
|
|
C3B
|
C:HEM201
|
4.2
|
19.5
|
1.0
|
|
C2D
|
C:HEM201
|
4.2
|
25.1
|
1.0
|
|
C2B
|
C:HEM201
|
4.3
|
28.2
|
1.0
|
|
C2A
|
C:HEM201
|
4.3
|
35.1
|
1.0
|
|
C3A
|
C:HEM201
|
4.3
|
32.8
|
1.0
|
|
NH1
|
C:ARG40
|
4.3
|
21.1
|
1.0
|
|
C2C
|
C:HEM201
|
4.4
|
20.8
|
1.0
|
|
C3C
|
C:HEM201
|
4.4
|
20.6
|
1.0
|
|
CE1
|
C:HIS81
|
4.7
|
22.9
|
1.0
|
|
CG
|
C:HIS81
|
4.7
|
24.7
|
1.0
|
|
CD
|
C:ARG40
|
4.8
|
27.5
|
1.0
|
|
CB
|
C:HIS81
|
4.8
|
21.9
|
1.0
|
|
CD2
|
C:TYR75
|
4.9
|
18.9
|
1.0
|
|
Iron binding site 4 out
of 10 in 4jet
Go back to
Iron Binding Sites List in 4jet
Iron binding site 4 out
of 10 in the 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe201
b:32.0
occ:1.00
|
FE
|
D:HEM201
|
0.0
|
32.0
|
1.0
|
|
NB
|
D:HEM201
|
2.0
|
31.5
|
1.0
|
|
OH
|
D:TYR75
|
2.0
|
28.7
|
1.0
|
|
NC
|
D:HEM201
|
2.1
|
29.7
|
1.0
|
|
NA
|
D:HEM201
|
2.1
|
35.1
|
1.0
|
|
ND
|
D:HEM201
|
2.1
|
29.4
|
1.0
|
|
CL
|
D:CL202
|
2.8
|
50.5
|
1.0
|
|
C4B
|
D:HEM201
|
2.9
|
28.2
|
1.0
|
|
CZ
|
D:TYR75
|
3.0
|
25.8
|
1.0
|
|
C1C
|
D:HEM201
|
3.0
|
23.6
|
1.0
|
|
C1B
|
D:HEM201
|
3.1
|
36.8
|
1.0
|
|
C4D
|
D:HEM201
|
3.1
|
35.1
|
1.0
|
|
C1A
|
D:HEM201
|
3.1
|
34.0
|
1.0
|
|
C4A
|
D:HEM201
|
3.1
|
31.5
|
1.0
|
|
C4C
|
D:HEM201
|
3.1
|
33.0
|
1.0
|
|
C1D
|
D:HEM201
|
3.1
|
33.7
|
1.0
|
|
CHC
|
D:HEM201
|
3.3
|
24.1
|
1.0
|
|
CHA
|
D:HEM201
|
3.4
|
29.8
|
1.0
|
|
CHB
|
D:HEM201
|
3.5
|
30.1
|
1.0
|
|
CHD
|
D:HEM201
|
3.5
|
28.5
|
1.0
|
|
CE1
|
D:TYR75
|
3.7
|
25.3
|
1.0
|
|
CE2
|
D:TYR75
|
3.8
|
27.3
|
1.0
|
|
ND1
|
D:HIS81
|
3.9
|
33.3
|
1.0
|
|
C3B
|
D:HEM201
|
4.2
|
31.2
|
1.0
|
|
C2B
|
D:HEM201
|
4.2
|
33.3
|
1.0
|
|
C2C
|
D:HEM201
|
4.3
|
32.6
|
1.0
|
|
C3C
|
D:HEM201
|
4.3
|
27.4
|
1.0
|
|
C3A
|
D:HEM201
|
4.3
|
40.8
|
1.0
|
|
C2A
|
D:HEM201
|
4.3
|
43.2
|
1.0
|
|
C3D
|
D:HEM201
|
4.3
|
35.9
|
1.0
|
|
C2D
|
D:HEM201
|
4.4
|
32.6
|
1.0
|
|
NH1
|
D:ARG40
|
4.4
|
36.6
|
1.0
|
|
CE1
|
D:HIS81
|
4.7
|
40.1
|
1.0
|
|
CG
|
D:HIS81
|
4.8
|
41.7
|
1.0
|
|
CB
|
D:HIS81
|
4.8
|
31.0
|
1.0
|
|
CD
|
D:ARG40
|
4.9
|
35.6
|
1.0
|
|
CD1
|
D:TYR75
|
5.0
|
24.7
|
1.0
|
|
Iron binding site 5 out
of 10 in 4jet
Go back to
Iron Binding Sites List in 4jet
Iron binding site 5 out
of 10 in the 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe201
b:29.4
occ:1.00
|
FE
|
E:HEM201
|
0.0
|
29.4
|
1.0
|
|
OH
|
E:TYR75
|
1.9
|
26.1
|
1.0
|
|
NB
|
E:HEM201
|
2.0
|
28.6
|
1.0
|
|
NA
|
E:HEM201
|
2.1
|
36.4
|
1.0
|
|
NC
|
E:HEM201
|
2.1
|
30.6
|
1.0
|
|
ND
|
E:HEM201
|
2.1
|
27.9
|
1.0
|
|
CL
|
E:CL202
|
2.6
|
48.6
|
1.0
|
|
CZ
|
E:TYR75
|
3.0
|
26.0
|
1.0
|
|
C1B
|
E:HEM201
|
3.1
|
32.0
|
1.0
|
|
C4B
|
E:HEM201
|
3.1
|
26.4
|
1.0
|
|
C4C
|
E:HEM201
|
3.1
|
28.7
|
1.0
|
|
C4A
|
E:HEM201
|
3.1
|
35.9
|
1.0
|
|
C1D
|
E:HEM201
|
3.1
|
31.2
|
1.0
|
|
C1A
|
E:HEM201
|
3.1
|
35.5
|
1.0
|
|
C1C
|
E:HEM201
|
3.1
|
28.4
|
1.0
|
|
C4D
|
E:HEM201
|
3.1
|
41.8
|
1.0
|
|
CHB
|
E:HEM201
|
3.4
|
32.3
|
1.0
|
|
CHD
|
E:HEM201
|
3.4
|
26.2
|
1.0
|
|
CHC
|
E:HEM201
|
3.5
|
24.6
|
1.0
|
|
CHA
|
E:HEM201
|
3.5
|
38.9
|
1.0
|
|
CE1
|
E:TYR75
|
3.7
|
25.1
|
1.0
|
|
CE2
|
E:TYR75
|
3.8
|
23.5
|
1.0
|
|
ND1
|
E:HIS81
|
3.8
|
35.9
|
1.0
|
|
C3B
|
E:HEM201
|
4.3
|
31.4
|
1.0
|
|
C2B
|
E:HEM201
|
4.3
|
29.2
|
1.0
|
|
C3A
|
E:HEM201
|
4.3
|
40.6
|
1.0
|
|
C3C
|
E:HEM201
|
4.3
|
28.4
|
1.0
|
|
C2D
|
E:HEM201
|
4.3
|
32.2
|
1.0
|
|
C2A
|
E:HEM201
|
4.3
|
45.5
|
1.0
|
|
C2C
|
E:HEM201
|
4.3
|
26.5
|
1.0
|
|
C3D
|
E:HEM201
|
4.4
|
46.3
|
1.0
|
|
CE1
|
E:HIS81
|
4.6
|
37.2
|
1.0
|
|
CG
|
E:HIS81
|
4.7
|
34.3
|
1.0
|
|
NH1
|
E:ARG40
|
4.7
|
42.7
|
1.0
|
|
CB
|
E:HIS81
|
4.7
|
30.9
|
1.0
|
|
CD1
|
E:TYR75
|
5.0
|
27.7
|
1.0
|
|
CD2
|
E:TYR75
|
5.0
|
28.8
|
1.0
|
|
Iron binding site 6 out
of 10 in 4jet
Go back to
Iron Binding Sites List in 4jet
Iron binding site 6 out
of 10 in the 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe201
b:32.9
occ:1.00
|
FE
|
F:HEM201
|
0.0
|
32.9
|
1.0
|
|
ND
|
F:HEM201
|
2.0
|
33.3
|
1.0
|
|
OH
|
F:TYR75
|
2.0
|
29.8
|
1.0
|
|
NA
|
F:HEM201
|
2.1
|
34.0
|
1.0
|
|
NB
|
F:HEM201
|
2.1
|
26.9
|
1.0
|
|
NC
|
F:HEM201
|
2.1
|
29.3
|
1.0
|
|
CL
|
F:CL202
|
2.8
|
50.6
|
1.0
|
|
CZ
|
F:TYR75
|
2.9
|
27.7
|
1.0
|
|
C4D
|
F:HEM201
|
3.0
|
36.1
|
1.0
|
|
C1D
|
F:HEM201
|
3.0
|
38.0
|
1.0
|
|
C1A
|
F:HEM201
|
3.0
|
28.1
|
1.0
|
|
C4A
|
F:HEM201
|
3.1
|
33.5
|
1.0
|
|
C4C
|
F:HEM201
|
3.1
|
30.5
|
1.0
|
|
C4B
|
F:HEM201
|
3.1
|
29.6
|
1.0
|
|
C1B
|
F:HEM201
|
3.1
|
28.0
|
1.0
|
|
C1C
|
F:HEM201
|
3.2
|
28.7
|
1.0
|
|
CHA
|
F:HEM201
|
3.3
|
36.6
|
1.0
|
|
CHD
|
F:HEM201
|
3.4
|
31.2
|
1.0
|
|
CHB
|
F:HEM201
|
3.5
|
34.3
|
1.0
|
|
CHC
|
F:HEM201
|
3.5
|
28.5
|
1.0
|
|
CE2
|
F:TYR75
|
3.6
|
25.2
|
1.0
|
|
CE1
|
F:TYR75
|
3.8
|
25.8
|
1.0
|
|
ND1
|
F:HIS81
|
4.1
|
36.2
|
1.0
|
|
C3D
|
F:HEM201
|
4.2
|
37.4
|
1.0
|
|
C2D
|
F:HEM201
|
4.2
|
34.1
|
1.0
|
|
C2A
|
F:HEM201
|
4.3
|
35.1
|
1.0
|
|
C3A
|
F:HEM201
|
4.3
|
37.1
|
1.0
|
|
NH1
|
F:ARG40
|
4.3
|
32.7
|
1.0
|
|
C3B
|
F:HEM201
|
4.3
|
26.8
|
1.0
|
|
C3C
|
F:HEM201
|
4.3
|
25.7
|
1.0
|
|
C2B
|
F:HEM201
|
4.4
|
30.3
|
1.0
|
|
C2C
|
F:HEM201
|
4.4
|
33.1
|
1.0
|
|
CD2
|
F:TYR75
|
4.8
|
26.8
|
1.0
|
|
CE1
|
F:HIS81
|
4.8
|
32.9
|
1.0
|
|
CD
|
F:ARG40
|
4.8
|
35.2
|
1.0
|
|
CG
|
F:HIS81
|
4.9
|
38.0
|
1.0
|
|
CD1
|
F:TYR75
|
5.0
|
21.4
|
1.0
|
|
CB
|
F:HIS81
|
5.0
|
30.4
|
1.0
|
|
Iron binding site 7 out
of 10 in 4jet
Go back to
Iron Binding Sites List in 4jet
Iron binding site 7 out
of 10 in the 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe201
b:34.7
occ:1.00
|
FE
|
G:HEM201
|
0.0
|
34.7
|
1.0
|
|
NB
|
G:HEM201
|
2.0
|
31.5
|
1.0
|
|
NA
|
G:HEM201
|
2.0
|
41.1
|
1.0
|
|
NC
|
G:HEM201
|
2.1
|
31.4
|
1.0
|
|
ND
|
G:HEM201
|
2.1
|
30.5
|
1.0
|
|
OH
|
G:TYR75
|
2.1
|
35.0
|
1.0
|
|
C4B
|
G:HEM201
|
3.0
|
35.5
|
1.0
|
|
CZ
|
G:TYR75
|
3.0
|
31.6
|
1.0
|
|
C1C
|
G:HEM201
|
3.0
|
28.1
|
1.0
|
|
C1A
|
G:HEM201
|
3.0
|
30.2
|
1.0
|
|
C4A
|
G:HEM201
|
3.0
|
35.1
|
1.0
|
|
C1B
|
G:HEM201
|
3.1
|
37.7
|
1.0
|
|
C4D
|
G:HEM201
|
3.1
|
34.9
|
1.0
|
|
C4C
|
G:HEM201
|
3.1
|
31.1
|
1.0
|
|
C1D
|
G:HEM201
|
3.1
|
37.4
|
1.0
|
|
CL
|
G:CL202
|
3.3
|
57.9
|
1.0
|
|
CHC
|
G:HEM201
|
3.4
|
32.7
|
1.0
|
|
CHA
|
G:HEM201
|
3.4
|
32.2
|
1.0
|
|
CHB
|
G:HEM201
|
3.4
|
33.0
|
1.0
|
|
CHD
|
G:HEM201
|
3.5
|
30.6
|
1.0
|
|
CE2
|
G:TYR75
|
3.7
|
30.8
|
1.0
|
|
ND1
|
G:HIS81
|
3.8
|
38.7
|
1.0
|
|
CE1
|
G:TYR75
|
3.9
|
26.4
|
1.0
|
|
C3B
|
G:HEM201
|
4.2
|
35.1
|
1.0
|
|
C3A
|
G:HEM201
|
4.3
|
42.3
|
1.0
|
|
C2A
|
G:HEM201
|
4.3
|
42.4
|
1.0
|
|
C2C
|
G:HEM201
|
4.3
|
35.3
|
1.0
|
|
C2B
|
G:HEM201
|
4.3
|
32.5
|
1.0
|
|
C3C
|
G:HEM201
|
4.3
|
30.4
|
1.0
|
|
C3D
|
G:HEM201
|
4.4
|
34.9
|
1.0
|
|
C2D
|
G:HEM201
|
4.4
|
35.1
|
1.0
|
|
NH1
|
G:ARG40
|
4.5
|
32.4
|
1.0
|
|
CE1
|
G:HIS81
|
4.6
|
38.5
|
1.0
|
|
CG
|
G:HIS81
|
4.7
|
36.8
|
1.0
|
|
CB
|
G:HIS81
|
4.9
|
27.1
|
1.0
|
|
CD
|
G:ARG40
|
4.9
|
42.6
|
1.0
|
|
CD2
|
G:TYR75
|
4.9
|
29.9
|
1.0
|
|
Iron binding site 8 out
of 10 in 4jet
Go back to
Iron Binding Sites List in 4jet
Iron binding site 8 out
of 10 in the 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe201
b:30.6
occ:1.00
|
FE
|
H:HEM201
|
0.0
|
30.6
|
1.0
|
|
OH
|
H:TYR75
|
2.0
|
26.3
|
1.0
|
|
NB
|
H:HEM201
|
2.0
|
28.5
|
1.0
|
|
ND
|
H:HEM201
|
2.1
|
34.1
|
1.0
|
|
NA
|
H:HEM201
|
2.1
|
41.4
|
1.0
|
|
NC
|
H:HEM201
|
2.1
|
29.2
|
1.0
|
|
CL
|
H:CL202
|
2.7
|
53.6
|
1.0
|
|
CZ
|
H:TYR75
|
3.0
|
33.1
|
1.0
|
|
C4B
|
H:HEM201
|
3.0
|
31.4
|
1.0
|
|
C1B
|
H:HEM201
|
3.0
|
40.3
|
1.0
|
|
C1D
|
H:HEM201
|
3.0
|
44.9
|
1.0
|
|
C4A
|
H:HEM201
|
3.1
|
33.0
|
1.0
|
|
C1C
|
H:HEM201
|
3.1
|
30.6
|
1.0
|
|
C4C
|
H:HEM201
|
3.1
|
32.3
|
1.0
|
|
C4D
|
H:HEM201
|
3.1
|
44.6
|
1.0
|
|
C1A
|
H:HEM201
|
3.1
|
41.6
|
1.0
|
|
CHB
|
H:HEM201
|
3.4
|
42.3
|
1.0
|
|
CHD
|
H:HEM201
|
3.4
|
38.9
|
1.0
|
|
CHC
|
H:HEM201
|
3.4
|
29.5
|
1.0
|
|
CHA
|
H:HEM201
|
3.5
|
41.3
|
1.0
|
|
CE2
|
H:TYR75
|
3.7
|
30.2
|
1.0
|
|
ND1
|
H:HIS81
|
3.8
|
33.2
|
1.0
|
|
CE1
|
H:TYR75
|
3.9
|
33.1
|
1.0
|
|
C3B
|
H:HEM201
|
4.2
|
35.9
|
1.0
|
|
NH1
|
H:ARG40
|
4.3
|
36.5
|
1.0
|
|
C2B
|
H:HEM201
|
4.3
|
35.4
|
1.0
|
|
C3A
|
H:HEM201
|
4.3
|
40.5
|
1.0
|
|
C2D
|
H:HEM201
|
4.3
|
40.5
|
1.0
|
|
C2A
|
H:HEM201
|
4.3
|
47.6
|
1.0
|
|
C3D
|
H:HEM201
|
4.4
|
44.0
|
1.0
|
|
C2C
|
H:HEM201
|
4.4
|
32.8
|
1.0
|
|
C3C
|
H:HEM201
|
4.4
|
23.1
|
1.0
|
|
CE1
|
H:HIS81
|
4.6
|
37.6
|
1.0
|
|
CG
|
H:HIS81
|
4.7
|
39.2
|
1.0
|
|
CB
|
H:HIS81
|
4.8
|
31.6
|
1.0
|
|
CD
|
H:ARG40
|
4.9
|
40.1
|
1.0
|
|
CD2
|
H:TYR75
|
4.9
|
29.9
|
1.0
|
|
Iron binding site 9 out
of 10 in 4jet
Go back to
Iron Binding Sites List in 4jet
Iron binding site 9 out
of 10 in the 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe201
b:22.9
occ:1.00
|
FE
|
I:HEM201
|
0.0
|
22.9
|
1.0
|
|
OH
|
I:TYR75
|
2.0
|
21.6
|
1.0
|
|
ND
|
I:HEM201
|
2.0
|
25.5
|
1.0
|
|
NA
|
I:HEM201
|
2.1
|
32.1
|
1.0
|
|
NC
|
I:HEM201
|
2.1
|
25.6
|
1.0
|
|
NB
|
I:HEM201
|
2.1
|
24.8
|
1.0
|
|
CL
|
I:CL202
|
2.6
|
47.2
|
1.0
|
|
CZ
|
I:TYR75
|
3.0
|
28.1
|
1.0
|
|
C4D
|
I:HEM201
|
3.0
|
35.4
|
1.0
|
|
C1D
|
I:HEM201
|
3.1
|
32.9
|
1.0
|
|
C1A
|
I:HEM201
|
3.1
|
32.5
|
1.0
|
|
C4A
|
I:HEM201
|
3.1
|
29.4
|
1.0
|
|
C4B
|
I:HEM201
|
3.1
|
23.9
|
1.0
|
|
C4C
|
I:HEM201
|
3.1
|
30.6
|
1.0
|
|
C1C
|
I:HEM201
|
3.1
|
25.9
|
1.0
|
|
C1B
|
I:HEM201
|
3.2
|
27.7
|
1.0
|
|
CHA
|
I:HEM201
|
3.4
|
27.4
|
1.0
|
|
CHC
|
I:HEM201
|
3.4
|
21.2
|
1.0
|
|
CHD
|
I:HEM201
|
3.4
|
29.2
|
1.0
|
|
CHB
|
I:HEM201
|
3.5
|
26.8
|
1.0
|
|
CE2
|
I:TYR75
|
3.7
|
26.5
|
1.0
|
|
CE1
|
I:TYR75
|
3.7
|
27.4
|
1.0
|
|
ND1
|
I:HIS81
|
3.8
|
34.1
|
1.0
|
|
NH1
|
I:ARG40
|
4.2
|
20.8
|
1.0
|
|
C3D
|
I:HEM201
|
4.3
|
35.0
|
1.0
|
|
C3A
|
I:HEM201
|
4.3
|
37.0
|
1.0
|
|
C2D
|
I:HEM201
|
4.3
|
31.2
|
1.0
|
|
C2A
|
I:HEM201
|
4.3
|
35.2
|
1.0
|
|
C3C
|
I:HEM201
|
4.3
|
28.0
|
1.0
|
|
C2C
|
I:HEM201
|
4.3
|
27.4
|
1.0
|
|
C3B
|
I:HEM201
|
4.4
|
21.9
|
1.0
|
|
C2B
|
I:HEM201
|
4.4
|
30.6
|
1.0
|
|
CE1
|
I:HIS81
|
4.6
|
34.6
|
1.0
|
|
CD
|
I:ARG40
|
4.7
|
33.0
|
1.0
|
|
CG
|
I:HIS81
|
4.8
|
36.0
|
1.0
|
|
CD2
|
I:TYR75
|
4.9
|
22.6
|
1.0
|
|
CD1
|
I:TYR75
|
4.9
|
25.1
|
1.0
|
|
CB
|
I:HIS81
|
5.0
|
26.2
|
1.0
|
|
Iron binding site 10 out
of 10 in 4jet
Go back to
Iron Binding Sites List in 4jet
Iron binding site 10 out
of 10 in the 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of 2.2A Resolution Structure of Holo Hemophore Hasa From Yersinia Pestis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Fe201
b:36.4
occ:1.00
|
FE
|
J:HEM201
|
0.0
|
36.4
|
1.0
|
|
ND
|
J:HEM201
|
2.0
|
32.1
|
1.0
|
|
NA
|
J:HEM201
|
2.0
|
42.2
|
1.0
|
|
NB
|
J:HEM201
|
2.1
|
33.1
|
1.0
|
|
OH
|
J:TYR75
|
2.2
|
33.0
|
1.0
|
|
NC
|
J:HEM201
|
2.2
|
36.9
|
1.0
|
|
CL
|
J:CL202
|
2.6
|
61.1
|
1.0
|
|
C4D
|
J:HEM201
|
2.9
|
47.4
|
1.0
|
|
C1A
|
J:HEM201
|
3.0
|
35.7
|
1.0
|
|
CZ
|
J:TYR75
|
3.1
|
34.3
|
1.0
|
|
C1D
|
J:HEM201
|
3.1
|
39.7
|
1.0
|
|
C4A
|
J:HEM201
|
3.1
|
36.6
|
1.0
|
|
C4B
|
J:HEM201
|
3.1
|
32.1
|
1.0
|
|
C1C
|
J:HEM201
|
3.1
|
29.9
|
1.0
|
|
C1B
|
J:HEM201
|
3.2
|
38.6
|
1.0
|
|
C4C
|
J:HEM201
|
3.2
|
32.9
|
1.0
|
|
CHA
|
J:HEM201
|
3.3
|
32.5
|
1.0
|
|
CHC
|
J:HEM201
|
3.5
|
31.9
|
1.0
|
|
CHB
|
J:HEM201
|
3.5
|
38.5
|
1.0
|
|
CHD
|
J:HEM201
|
3.5
|
36.1
|
1.0
|
|
CE2
|
J:TYR75
|
3.8
|
34.1
|
1.0
|
|
ND1
|
J:HIS81
|
3.8
|
43.2
|
1.0
|
|
CE1
|
J:TYR75
|
3.9
|
32.0
|
1.0
|
|
C3D
|
J:HEM201
|
4.2
|
43.9
|
1.0
|
|
C2A
|
J:HEM201
|
4.2
|
43.1
|
1.0
|
|
C2D
|
J:HEM201
|
4.3
|
33.6
|
1.0
|
|
C3A
|
J:HEM201
|
4.3
|
41.6
|
1.0
|
|
NH1
|
J:ARG40
|
4.3
|
41.1
|
1.0
|
|
C3B
|
J:HEM201
|
4.3
|
36.7
|
1.0
|
|
C2B
|
J:HEM201
|
4.4
|
27.4
|
1.0
|
|
C2C
|
J:HEM201
|
4.4
|
36.7
|
1.0
|
|
C3C
|
J:HEM201
|
4.4
|
34.2
|
1.0
|
|
CE1
|
J:HIS81
|
4.5
|
45.2
|
1.0
|
|
CG
|
J:HIS81
|
4.8
|
44.4
|
1.0
|
|
CD
|
J:ARG40
|
4.9
|
48.5
|
1.0
|
|
CB
|
J:HIS81
|
4.9
|
37.3
|
1.0
|
|
CD2
|
J:TYR75
|
5.0
|
32.1
|
1.0
|
|
Reference:
R.Kumar,
S.Lovell,
H.Matsumura,
K.P.Battaile,
P.Moenne-Loccoz,
M.Rivera.
The Hemophore Hasa From Yersinia Pestis (Hasayp) Coordinates Hemin with A Single Residue, TYR75, and with Minimal Conformational Change. Biochemistry V. 52 2705 2013.
ISSN: ISSN 0006-2960
PubMed: 23578210
DOI: 10.1021/BI400280Z
Page generated: Sun Dec 13 15:38:18 2020
|
