Iron in PDB 7k4m: Crystal Structure of METAP2 Modified Hemoglobin S
Protein crystallography data
The structure of Crystal Structure of METAP2 Modified Hemoglobin S, PDB code: 7k4m
was solved by
F.N.Musayev,
M.K.Safo,
D.R.Light,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
29.07 /
2.50
|
|
Space group
|
I 1 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
134.844,
53.846,
195.64,
90,
91.73,
90
|
|
R / Rfree (%)
|
23.9 /
32.3
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of METAP2 Modified Hemoglobin S
(pdb code 7k4m). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the
Crystal Structure of METAP2 Modified Hemoglobin S, PDB code: 7k4m:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 10 in 7k4m
Go back to
Iron Binding Sites List in 7k4m
Iron binding site 1 out
of 10 in the Crystal Structure of METAP2 Modified Hemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of METAP2 Modified Hemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe202
b:39.5
occ:1.00
|
FE
|
A:HEM202
|
0.0
|
39.5
|
1.0
|
|
C
|
A:CMO201
|
1.8
|
41.0
|
1.0
|
|
NE2
|
A:HIS87
|
2.0
|
35.5
|
1.0
|
|
NA
|
A:HEM202
|
2.1
|
51.0
|
1.0
|
|
ND
|
A:HEM202
|
2.1
|
44.6
|
1.0
|
|
NB
|
A:HEM202
|
2.1
|
43.1
|
1.0
|
|
NC
|
A:HEM202
|
2.1
|
44.3
|
1.0
|
|
O
|
A:CMO201
|
2.8
|
44.7
|
1.0
|
|
CD2
|
A:HIS87
|
3.0
|
46.4
|
1.0
|
|
CE1
|
A:HIS87
|
3.0
|
43.3
|
1.0
|
|
C1A
|
A:HEM202
|
3.1
|
43.7
|
1.0
|
|
C4A
|
A:HEM202
|
3.1
|
44.2
|
1.0
|
|
C1D
|
A:HEM202
|
3.1
|
45.0
|
1.0
|
|
C4D
|
A:HEM202
|
3.1
|
44.5
|
1.0
|
|
C4C
|
A:HEM202
|
3.1
|
41.6
|
1.0
|
|
C1B
|
A:HEM202
|
3.1
|
39.1
|
1.0
|
|
C1C
|
A:HEM202
|
3.1
|
44.1
|
1.0
|
|
C4B
|
A:HEM202
|
3.1
|
40.9
|
1.0
|
|
CHA
|
A:HEM202
|
3.4
|
49.8
|
1.0
|
|
CHD
|
A:HEM202
|
3.5
|
41.5
|
1.0
|
|
CHB
|
A:HEM202
|
3.5
|
41.0
|
1.0
|
|
CHC
|
A:HEM202
|
3.5
|
39.7
|
1.0
|
|
ND1
|
A:HIS87
|
4.1
|
42.5
|
1.0
|
|
CG
|
A:HIS87
|
4.1
|
41.7
|
1.0
|
|
C3A
|
A:HEM202
|
4.2
|
43.9
|
1.0
|
|
C2A
|
A:HEM202
|
4.3
|
52.9
|
1.0
|
|
C3C
|
A:HEM202
|
4.3
|
41.6
|
1.0
|
|
C2C
|
A:HEM202
|
4.3
|
39.9
|
1.0
|
|
C2D
|
A:HEM202
|
4.3
|
45.3
|
1.0
|
|
C3D
|
A:HEM202
|
4.3
|
50.8
|
1.0
|
|
C2B
|
A:HEM202
|
4.3
|
41.6
|
1.0
|
|
C3B
|
A:HEM202
|
4.3
|
43.6
|
1.0
|
|
NE2
|
A:HIS58
|
4.7
|
48.6
|
1.0
|
|
Iron binding site 2 out
of 10 in 7k4m
Go back to
Iron Binding Sites List in 7k4m
Iron binding site 2 out
of 10 in the Crystal Structure of METAP2 Modified Hemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of METAP2 Modified Hemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe202
b:43.5
occ:1.00
|
FE
|
B:HEM202
|
0.0
|
43.5
|
1.0
|
|
C
|
B:CMO201
|
1.9
|
41.0
|
1.0
|
|
NE2
|
B:HIS92
|
2.0
|
37.4
|
1.0
|
|
ND
|
B:HEM202
|
2.1
|
37.3
|
1.0
|
|
NA
|
B:HEM202
|
2.1
|
50.0
|
1.0
|
|
NB
|
B:HEM202
|
2.1
|
35.1
|
1.0
|
|
NC
|
B:HEM202
|
2.2
|
40.8
|
1.0
|
|
C4D
|
B:HEM202
|
3.0
|
44.7
|
1.0
|
|
CE1
|
B:HIS92
|
3.0
|
46.6
|
1.0
|
|
CD2
|
B:HIS92
|
3.0
|
43.8
|
1.0
|
|
C1A
|
B:HEM202
|
3.0
|
35.2
|
1.0
|
|
O
|
B:CMO201
|
3.0
|
45.1
|
1.0
|
|
C1B
|
B:HEM202
|
3.1
|
50.2
|
1.0
|
|
C4A
|
B:HEM202
|
3.1
|
43.5
|
1.0
|
|
C1D
|
B:HEM202
|
3.1
|
43.9
|
1.0
|
|
C4B
|
B:HEM202
|
3.2
|
41.4
|
1.0
|
|
C4C
|
B:HEM202
|
3.2
|
39.7
|
1.0
|
|
C1C
|
B:HEM202
|
3.2
|
34.5
|
1.0
|
|
CHA
|
B:HEM202
|
3.4
|
39.7
|
1.0
|
|
CHB
|
B:HEM202
|
3.5
|
41.5
|
1.0
|
|
CHC
|
B:HEM202
|
3.6
|
39.1
|
1.0
|
|
CHD
|
B:HEM202
|
3.6
|
36.9
|
1.0
|
|
ND1
|
B:HIS92
|
4.1
|
35.5
|
1.0
|
|
CG
|
B:HIS92
|
4.2
|
35.1
|
1.0
|
|
C3D
|
B:HEM202
|
4.2
|
39.7
|
1.0
|
|
C2A
|
B:HEM202
|
4.3
|
53.0
|
1.0
|
|
C2D
|
B:HEM202
|
4.3
|
33.6
|
1.0
|
|
C3A
|
B:HEM202
|
4.3
|
51.5
|
1.0
|
|
C2B
|
B:HEM202
|
4.3
|
38.4
|
1.0
|
|
C3C
|
B:HEM202
|
4.3
|
47.3
|
1.0
|
|
C2C
|
B:HEM202
|
4.4
|
35.1
|
1.0
|
|
C3B
|
B:HEM202
|
4.4
|
37.2
|
1.0
|
|
NE2
|
B:HIS63
|
4.7
|
38.8
|
1.0
|
|
Iron binding site 3 out
of 10 in 7k4m
Go back to
Iron Binding Sites List in 7k4m
Iron binding site 3 out
of 10 in the Crystal Structure of METAP2 Modified Hemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of METAP2 Modified Hemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe202
b:27.8
occ:1.00
|
FE
|
C:HEM202
|
0.0
|
27.8
|
1.0
|
|
C
|
C:CMO201
|
1.8
|
28.2
|
1.0
|
|
ND
|
C:HEM202
|
2.0
|
29.6
|
1.0
|
|
NE2
|
C:HIS87
|
2.0
|
27.5
|
1.0
|
|
NC
|
C:HEM202
|
2.1
|
18.9
|
1.0
|
|
NA
|
C:HEM202
|
2.1
|
29.4
|
1.0
|
|
NB
|
C:HEM202
|
2.2
|
29.3
|
1.0
|
|
CE1
|
C:HIS87
|
2.9
|
32.4
|
1.0
|
|
C4D
|
C:HEM202
|
3.0
|
33.0
|
1.0
|
|
O
|
C:CMO201
|
3.0
|
43.4
|
1.0
|
|
C1D
|
C:HEM202
|
3.0
|
25.7
|
1.0
|
|
C4C
|
C:HEM202
|
3.0
|
27.5
|
1.0
|
|
C1A
|
C:HEM202
|
3.1
|
28.4
|
1.0
|
|
CD2
|
C:HIS87
|
3.1
|
32.7
|
1.0
|
|
C1C
|
C:HEM202
|
3.1
|
20.1
|
1.0
|
|
C4A
|
C:HEM202
|
3.2
|
24.1
|
1.0
|
|
C4B
|
C:HEM202
|
3.2
|
24.0
|
1.0
|
|
C1B
|
C:HEM202
|
3.2
|
26.5
|
1.0
|
|
CHA
|
C:HEM202
|
3.4
|
29.9
|
1.0
|
|
CHD
|
C:HEM202
|
3.4
|
28.7
|
1.0
|
|
CHC
|
C:HEM202
|
3.5
|
28.1
|
1.0
|
|
CHB
|
C:HEM202
|
3.6
|
24.1
|
1.0
|
|
ND1
|
C:HIS87
|
4.1
|
23.9
|
1.0
|
|
CG
|
C:HIS87
|
4.2
|
22.7
|
1.0
|
|
C3D
|
C:HEM202
|
4.2
|
28.8
|
1.0
|
|
C2D
|
C:HEM202
|
4.2
|
23.7
|
1.0
|
|
C3C
|
C:HEM202
|
4.3
|
24.7
|
1.0
|
|
C2C
|
C:HEM202
|
4.3
|
25.7
|
1.0
|
|
C2A
|
C:HEM202
|
4.3
|
31.1
|
1.0
|
|
C3A
|
C:HEM202
|
4.3
|
35.6
|
1.0
|
|
C3B
|
C:HEM202
|
4.4
|
20.8
|
1.0
|
|
C2B
|
C:HEM202
|
4.4
|
22.5
|
1.0
|
|
NE2
|
C:HIS58
|
4.7
|
42.4
|
1.0
|
|
Iron binding site 4 out
of 10 in 7k4m
Go back to
Iron Binding Sites List in 7k4m
Iron binding site 4 out
of 10 in the Crystal Structure of METAP2 Modified Hemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of METAP2 Modified Hemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe202
b:60.4
occ:1.00
|
FE
|
D:HEM202
|
0.0
|
60.4
|
1.0
|
|
C
|
D:CMO201
|
1.8
|
48.9
|
1.0
|
|
NE2
|
D:HIS92
|
2.0
|
48.5
|
1.0
|
|
NC
|
D:HEM202
|
2.1
|
49.7
|
1.0
|
|
NB
|
D:HEM202
|
2.1
|
46.9
|
1.0
|
|
ND
|
D:HEM202
|
2.2
|
51.9
|
1.0
|
|
NA
|
D:HEM202
|
2.2
|
65.7
|
1.0
|
|
O
|
D:CMO201
|
2.5
|
53.4
|
1.0
|
|
CE1
|
D:HIS92
|
2.8
|
52.3
|
1.0
|
|
C1C
|
D:HEM202
|
3.0
|
45.9
|
1.0
|
|
C4C
|
D:HEM202
|
3.0
|
40.1
|
1.0
|
|
C4B
|
D:HEM202
|
3.1
|
52.5
|
1.0
|
|
C1B
|
D:HEM202
|
3.1
|
47.9
|
1.0
|
|
C1D
|
D:HEM202
|
3.1
|
64.9
|
1.0
|
|
C1A
|
D:HEM202
|
3.2
|
57.9
|
1.0
|
|
C4D
|
D:HEM202
|
3.2
|
56.5
|
1.0
|
|
C4A
|
D:HEM202
|
3.2
|
64.2
|
1.0
|
|
CD2
|
D:HIS92
|
3.2
|
51.5
|
1.0
|
|
CHC
|
D:HEM202
|
3.4
|
53.4
|
1.0
|
|
CHD
|
D:HEM202
|
3.5
|
55.9
|
1.0
|
|
CHA
|
D:HEM202
|
3.5
|
58.2
|
1.0
|
|
CHB
|
D:HEM202
|
3.5
|
53.9
|
1.0
|
|
ND1
|
D:HIS92
|
4.0
|
40.2
|
1.0
|
|
C2C
|
D:HEM202
|
4.2
|
45.6
|
1.0
|
|
C3C
|
D:HEM202
|
4.2
|
34.3
|
1.0
|
|
CG
|
D:HIS92
|
4.2
|
43.4
|
1.0
|
|
C3B
|
D:HEM202
|
4.2
|
51.7
|
1.0
|
|
C2B
|
D:HEM202
|
4.3
|
48.6
|
1.0
|
|
C2A
|
D:HEM202
|
4.4
|
61.9
|
1.0
|
|
C3A
|
D:HEM202
|
4.4
|
63.2
|
1.0
|
|
C2D
|
D:HEM202
|
4.4
|
57.6
|
1.0
|
|
C3D
|
D:HEM202
|
4.4
|
52.6
|
1.0
|
|
NE2
|
D:HIS63
|
4.8
|
70.5
|
1.0
|
|
Iron binding site 5 out
of 10 in 7k4m
Go back to
Iron Binding Sites List in 7k4m
Iron binding site 5 out
of 10 in the Crystal Structure of METAP2 Modified Hemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structure of METAP2 Modified Hemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe201
b:59.7
occ:1.00
|
FE
|
E:HEM201
|
0.0
|
59.7
|
1.0
|
|
NC
|
E:HEM201
|
2.0
|
39.5
|
1.0
|
|
NE2
|
E:HIS87
|
2.0
|
69.5
|
1.0
|
|
ND
|
E:HEM201
|
2.0
|
43.5
|
1.0
|
|
NB
|
E:HEM201
|
2.1
|
30.1
|
1.0
|
|
NA
|
E:HEM201
|
2.1
|
58.1
|
1.0
|
|
CE1
|
E:HIS87
|
2.8
|
63.0
|
1.0
|
|
C4C
|
E:HEM201
|
3.0
|
52.7
|
1.0
|
|
C1C
|
E:HEM201
|
3.0
|
34.8
|
1.0
|
|
C1D
|
E:HEM201
|
3.0
|
45.1
|
1.0
|
|
C4B
|
E:HEM201
|
3.1
|
42.7
|
1.0
|
|
C4D
|
E:HEM201
|
3.1
|
52.5
|
1.0
|
|
C1A
|
E:HEM201
|
3.1
|
56.6
|
1.0
|
|
C1B
|
E:HEM201
|
3.1
|
41.6
|
1.0
|
|
C4A
|
E:HEM201
|
3.1
|
56.2
|
1.0
|
|
CD2
|
E:HIS87
|
3.1
|
63.4
|
1.0
|
|
CHD
|
E:HEM201
|
3.4
|
56.3
|
1.0
|
|
CHC
|
E:HEM201
|
3.4
|
44.1
|
1.0
|
|
CHA
|
E:HEM201
|
3.5
|
48.4
|
1.0
|
|
CHB
|
E:HEM201
|
3.5
|
54.9
|
1.0
|
|
ND1
|
E:HIS87
|
3.9
|
65.8
|
1.0
|
|
CE1
|
E:HIS58
|
4.1
|
63.5
|
1.0
|
|
CG
|
E:HIS87
|
4.1
|
67.8
|
1.0
|
|
NE2
|
E:HIS58
|
4.2
|
65.8
|
1.0
|
|
C3C
|
E:HEM201
|
4.2
|
42.6
|
1.0
|
|
C2C
|
E:HEM201
|
4.2
|
46.3
|
1.0
|
|
C2D
|
E:HEM201
|
4.3
|
41.2
|
1.0
|
|
C3B
|
E:HEM201
|
4.3
|
40.7
|
1.0
|
|
C3D
|
E:HEM201
|
4.3
|
51.9
|
1.0
|
|
C2B
|
E:HEM201
|
4.3
|
34.9
|
1.0
|
|
C2A
|
E:HEM201
|
4.3
|
62.0
|
1.0
|
|
C3A
|
E:HEM201
|
4.3
|
53.5
|
1.0
|
|
CG2
|
E:VAL62
|
4.8
|
49.8
|
1.0
|
|
Iron binding site 6 out
of 10 in 7k4m
Go back to
Iron Binding Sites List in 7k4m
Iron binding site 6 out
of 10 in the Crystal Structure of METAP2 Modified Hemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structure of METAP2 Modified Hemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe202
b:76.7
occ:1.00
|
FE
|
F:HEM202
|
0.0
|
76.7
|
1.0
|
|
C
|
F:CMO201
|
1.8
|
64.6
|
1.0
|
|
NE2
|
F:HIS92
|
2.0
|
80.1
|
1.0
|
|
NA
|
F:HEM202
|
2.1
|
74.2
|
1.0
|
|
NB
|
F:HEM202
|
2.1
|
66.2
|
1.0
|
|
ND
|
F:HEM202
|
2.1
|
68.1
|
1.0
|
|
NC
|
F:HEM202
|
2.2
|
71.1
|
1.0
|
|
CE1
|
F:HIS92
|
2.6
|
78.8
|
1.0
|
|
O
|
F:CMO201
|
2.7
|
65.0
|
1.0
|
|
C4C
|
F:HEM202
|
3.1
|
70.5
|
1.0
|
|
C1C
|
F:HEM202
|
3.1
|
60.4
|
1.0
|
|
C1A
|
F:HEM202
|
3.1
|
76.3
|
1.0
|
|
C1D
|
F:HEM202
|
3.1
|
74.2
|
1.0
|
|
C4D
|
F:HEM202
|
3.1
|
76.5
|
1.0
|
|
C4A
|
F:HEM202
|
3.1
|
69.7
|
1.0
|
|
C1B
|
F:HEM202
|
3.1
|
66.1
|
1.0
|
|
C4B
|
F:HEM202
|
3.2
|
60.0
|
1.0
|
|
CD2
|
F:HIS92
|
3.3
|
77.0
|
1.0
|
|
CHD
|
F:HEM202
|
3.5
|
81.7
|
1.0
|
|
CHA
|
F:HEM202
|
3.5
|
76.7
|
1.0
|
|
CHB
|
F:HEM202
|
3.5
|
76.0
|
1.0
|
|
CHC
|
F:HEM202
|
3.5
|
51.5
|
1.0
|
|
ND1
|
F:HIS92
|
3.9
|
81.8
|
1.0
|
|
C3C
|
F:HEM202
|
4.2
|
60.0
|
1.0
|
|
C2C
|
F:HEM202
|
4.2
|
58.0
|
1.0
|
|
CG
|
F:HIS92
|
4.2
|
77.7
|
1.0
|
|
C2D
|
F:HEM202
|
4.3
|
74.1
|
1.0
|
|
C2A
|
F:HEM202
|
4.3
|
76.9
|
1.0
|
|
C3D
|
F:HEM202
|
4.3
|
81.1
|
1.0
|
|
C3A
|
F:HEM202
|
4.3
|
64.2
|
1.0
|
|
C2B
|
F:HEM202
|
4.3
|
48.2
|
1.0
|
|
C3B
|
F:HEM202
|
4.4
|
56.7
|
1.0
|
|
NE2
|
F:HIS63
|
4.9
|
83.4
|
1.0
|
|
Iron binding site 7 out
of 10 in 7k4m
Go back to
Iron Binding Sites List in 7k4m
Iron binding site 7 out
of 10 in the Crystal Structure of METAP2 Modified Hemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structure of METAP2 Modified Hemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe202
b:55.9
occ:1.00
|
FE
|
G:HEM202
|
0.0
|
55.9
|
1.0
|
|
C
|
G:CMO201
|
1.8
|
57.7
|
1.0
|
|
NE2
|
G:HIS87
|
2.0
|
54.1
|
1.0
|
|
NB
|
G:HEM202
|
2.1
|
69.9
|
1.0
|
|
NA
|
G:HEM202
|
2.1
|
71.7
|
1.0
|
|
NC
|
G:HEM202
|
2.2
|
55.4
|
1.0
|
|
ND
|
G:HEM202
|
2.2
|
66.7
|
1.0
|
|
O
|
G:CMO201
|
2.8
|
62.8
|
1.0
|
|
CD2
|
G:HIS87
|
2.9
|
58.9
|
1.0
|
|
C4B
|
G:HEM202
|
3.1
|
51.1
|
1.0
|
|
C1C
|
G:HEM202
|
3.1
|
45.7
|
1.0
|
|
C1B
|
G:HEM202
|
3.1
|
72.9
|
1.0
|
|
CE1
|
G:HIS87
|
3.1
|
51.8
|
1.0
|
|
C4C
|
G:HEM202
|
3.1
|
47.1
|
1.0
|
|
C1A
|
G:HEM202
|
3.1
|
66.9
|
1.0
|
|
C4A
|
G:HEM202
|
3.2
|
71.8
|
1.0
|
|
C4D
|
G:HEM202
|
3.2
|
62.5
|
1.0
|
|
C1D
|
G:HEM202
|
3.2
|
61.7
|
1.0
|
|
CHC
|
G:HEM202
|
3.4
|
51.2
|
1.0
|
|
CHA
|
G:HEM202
|
3.5
|
62.6
|
1.0
|
|
CHB
|
G:HEM202
|
3.5
|
67.4
|
1.0
|
|
CHD
|
G:HEM202
|
3.6
|
53.5
|
1.0
|
|
CG
|
G:HIS87
|
4.1
|
53.1
|
1.0
|
|
ND1
|
G:HIS87
|
4.2
|
50.4
|
1.0
|
|
C2C
|
G:HEM202
|
4.2
|
51.4
|
1.0
|
|
C2B
|
G:HEM202
|
4.2
|
53.9
|
1.0
|
|
C3B
|
G:HEM202
|
4.2
|
53.6
|
1.0
|
|
C3C
|
G:HEM202
|
4.2
|
44.1
|
1.0
|
|
C2A
|
G:HEM202
|
4.3
|
78.7
|
1.0
|
|
C3A
|
G:HEM202
|
4.3
|
80.0
|
1.0
|
|
C3D
|
G:HEM202
|
4.4
|
66.9
|
1.0
|
|
C2D
|
G:HEM202
|
4.4
|
70.6
|
1.0
|
|
Iron binding site 8 out
of 10 in 7k4m
Go back to
Iron Binding Sites List in 7k4m
Iron binding site 8 out
of 10 in the Crystal Structure of METAP2 Modified Hemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystal Structure of METAP2 Modified Hemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe202
b:38.7
occ:1.00
|
FE
|
H:HEM202
|
0.0
|
38.7
|
1.0
|
|
C
|
H:CMO201
|
1.9
|
50.3
|
1.0
|
|
NE2
|
H:HIS92
|
2.0
|
48.7
|
1.0
|
|
NC
|
H:HEM202
|
2.1
|
39.1
|
1.0
|
|
NA
|
H:HEM202
|
2.1
|
43.4
|
1.0
|
|
NB
|
H:HEM202
|
2.1
|
29.6
|
1.0
|
|
ND
|
H:HEM202
|
2.1
|
43.3
|
1.0
|
|
CE1
|
H:HIS92
|
3.0
|
49.6
|
1.0
|
|
C4D
|
H:HEM202
|
3.0
|
40.9
|
1.0
|
|
O
|
H:CMO201
|
3.1
|
55.2
|
1.0
|
|
CD2
|
H:HIS92
|
3.1
|
48.0
|
1.0
|
|
C1A
|
H:HEM202
|
3.1
|
49.6
|
1.0
|
|
C1C
|
H:HEM202
|
3.1
|
35.0
|
1.0
|
|
C4C
|
H:HEM202
|
3.1
|
45.1
|
1.0
|
|
C1D
|
H:HEM202
|
3.1
|
46.2
|
1.0
|
|
C4B
|
H:HEM202
|
3.1
|
30.2
|
1.0
|
|
C1B
|
H:HEM202
|
3.2
|
38.1
|
1.0
|
|
C4A
|
H:HEM202
|
3.2
|
42.5
|
1.0
|
|
CHA
|
H:HEM202
|
3.4
|
46.0
|
1.0
|
|
CHC
|
H:HEM202
|
3.5
|
40.5
|
1.0
|
|
CHD
|
H:HEM202
|
3.5
|
51.0
|
1.0
|
|
CHB
|
H:HEM202
|
3.6
|
30.8
|
1.0
|
|
ND1
|
H:HIS92
|
4.1
|
48.5
|
1.0
|
|
CG
|
H:HIS92
|
4.2
|
48.1
|
1.0
|
|
C3D
|
H:HEM202
|
4.2
|
59.6
|
1.0
|
|
C2D
|
H:HEM202
|
4.3
|
54.8
|
1.0
|
|
C2C
|
H:HEM202
|
4.3
|
46.4
|
1.0
|
|
C3C
|
H:HEM202
|
4.3
|
49.0
|
1.0
|
|
C2A
|
H:HEM202
|
4.3
|
45.5
|
1.0
|
|
C3B
|
H:HEM202
|
4.3
|
38.2
|
1.0
|
|
C3A
|
H:HEM202
|
4.3
|
43.5
|
1.0
|
|
C2B
|
H:HEM202
|
4.3
|
41.6
|
1.0
|
|
NE2
|
H:HIS63
|
4.9
|
61.1
|
1.0
|
|
Iron binding site 9 out
of 10 in 7k4m
Go back to
Iron Binding Sites List in 7k4m
Iron binding site 9 out
of 10 in the Crystal Structure of METAP2 Modified Hemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Crystal Structure of METAP2 Modified Hemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe202
b:58.8
occ:1.00
|
FE
|
I:HEM202
|
0.0
|
58.8
|
1.0
|
|
C
|
I:CMO201
|
1.9
|
55.7
|
1.0
|
|
NE2
|
I:HIS87
|
2.0
|
48.4
|
1.0
|
|
NA
|
I:HEM202
|
2.1
|
56.4
|
1.0
|
|
NB
|
I:HEM202
|
2.1
|
51.6
|
1.0
|
|
NC
|
I:HEM202
|
2.1
|
46.1
|
1.0
|
|
ND
|
I:HEM202
|
2.1
|
58.4
|
1.0
|
|
O
|
I:CMO201
|
3.0
|
58.3
|
1.0
|
|
CE1
|
I:HIS87
|
3.0
|
57.4
|
1.0
|
|
CD2
|
I:HIS87
|
3.0
|
55.6
|
1.0
|
|
C1C
|
I:HEM202
|
3.1
|
49.3
|
1.0
|
|
C1A
|
I:HEM202
|
3.1
|
65.3
|
1.0
|
|
C4D
|
I:HEM202
|
3.1
|
55.4
|
1.0
|
|
C4B
|
I:HEM202
|
3.1
|
46.8
|
1.0
|
|
C4C
|
I:HEM202
|
3.1
|
49.0
|
1.0
|
|
C1B
|
I:HEM202
|
3.1
|
56.7
|
1.0
|
|
C4A
|
I:HEM202
|
3.1
|
61.4
|
1.0
|
|
C1D
|
I:HEM202
|
3.2
|
51.6
|
1.0
|
|
CHA
|
I:HEM202
|
3.4
|
52.0
|
1.0
|
|
CHC
|
I:HEM202
|
3.5
|
45.1
|
1.0
|
|
CHB
|
I:HEM202
|
3.5
|
62.5
|
1.0
|
|
CHD
|
I:HEM202
|
3.6
|
46.5
|
1.0
|
|
ND1
|
I:HIS87
|
4.1
|
56.6
|
1.0
|
|
CG
|
I:HIS87
|
4.2
|
50.2
|
1.0
|
|
C2C
|
I:HEM202
|
4.2
|
37.4
|
1.0
|
|
C3C
|
I:HEM202
|
4.3
|
38.6
|
1.0
|
|
C2A
|
I:HEM202
|
4.3
|
64.0
|
1.0
|
|
C3B
|
I:HEM202
|
4.3
|
59.2
|
1.0
|
|
C2B
|
I:HEM202
|
4.3
|
60.4
|
1.0
|
|
C3A
|
I:HEM202
|
4.3
|
59.5
|
1.0
|
|
C3D
|
I:HEM202
|
4.3
|
59.3
|
1.0
|
|
C2D
|
I:HEM202
|
4.4
|
56.5
|
1.0
|
|
Iron binding site 10 out
of 10 in 7k4m
Go back to
Iron Binding Sites List in 7k4m
Iron binding site 10 out
of 10 in the Crystal Structure of METAP2 Modified Hemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Crystal Structure of METAP2 Modified Hemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Fe202
b:54.4
occ:1.00
|
FE
|
J:HEM202
|
0.0
|
54.4
|
1.0
|
|
C
|
J:CMO201
|
1.8
|
50.8
|
1.0
|
|
NE2
|
J:HIS92
|
2.0
|
56.6
|
1.0
|
|
NA
|
J:HEM202
|
2.1
|
59.7
|
1.0
|
|
NB
|
J:HEM202
|
2.1
|
51.6
|
1.0
|
|
ND
|
J:HEM202
|
2.1
|
52.9
|
1.0
|
|
NC
|
J:HEM202
|
2.2
|
50.6
|
1.0
|
|
O
|
J:CMO201
|
3.0
|
61.0
|
1.0
|
|
CE1
|
J:HIS92
|
3.0
|
59.9
|
1.0
|
|
CD2
|
J:HIS92
|
3.0
|
59.6
|
1.0
|
|
C1B
|
J:HEM202
|
3.0
|
61.9
|
1.0
|
|
C4A
|
J:HEM202
|
3.0
|
66.7
|
1.0
|
|
C1A
|
J:HEM202
|
3.1
|
59.0
|
1.0
|
|
C4C
|
J:HEM202
|
3.1
|
53.9
|
1.0
|
|
C1D
|
J:HEM202
|
3.1
|
55.2
|
1.0
|
|
C4D
|
J:HEM202
|
3.1
|
64.0
|
1.0
|
|
C1C
|
J:HEM202
|
3.2
|
48.7
|
1.0
|
|
C4B
|
J:HEM202
|
3.2
|
46.8
|
1.0
|
|
CHB
|
J:HEM202
|
3.4
|
63.0
|
1.0
|
|
CHD
|
J:HEM202
|
3.5
|
52.4
|
1.0
|
|
CHA
|
J:HEM202
|
3.5
|
63.9
|
1.0
|
|
CHC
|
J:HEM202
|
3.6
|
56.0
|
1.0
|
|
ND1
|
J:HIS92
|
4.1
|
55.1
|
1.0
|
|
CG
|
J:HIS92
|
4.1
|
55.1
|
1.0
|
|
C3A
|
J:HEM202
|
4.2
|
56.9
|
1.0
|
|
C2B
|
J:HEM202
|
4.2
|
55.1
|
1.0
|
|
C2A
|
J:HEM202
|
4.2
|
65.1
|
1.0
|
|
C3C
|
J:HEM202
|
4.3
|
52.0
|
1.0
|
|
C2C
|
J:HEM202
|
4.3
|
52.2
|
1.0
|
|
C3B
|
J:HEM202
|
4.3
|
53.6
|
1.0
|
|
C2D
|
J:HEM202
|
4.3
|
52.5
|
1.0
|
|
C3D
|
J:HEM202
|
4.4
|
56.1
|
1.0
|
|
NE2
|
J:HIS63
|
4.9
|
61.1
|
1.0
|
|
Reference:
F.N.Musayev,
M.K.Safo,
D.R.Light.
Crystal Structure of METAP2 Modified Hemoglobin S To Be Published.
Page generated: Fri Nov 5 14:01:38 2021
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