Iron in PDB 3gqp: Crystal Structure Determination of Cat (Felis Silvestris Catus) Hemoglobin at 2.0 Angstrom Resolution
Protein crystallography data
The structure of Crystal Structure Determination of Cat (Felis Silvestris Catus) Hemoglobin at 2.0 Angstrom Resolution, PDB code: 3gqp
was solved by
M.Balasubramanian,
P.Sathya Moorthy,
K.Neelagandan,
M.N.Ponnuswamy,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.72 /
2.00
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
55.507,
73.217,
70.380,
90.00,
103.38,
90.00
|
R / Rfree (%)
|
24.8 /
29.8
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure Determination of Cat (Felis Silvestris Catus) Hemoglobin at 2.0 Angstrom Resolution
(pdb code 3gqp). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Crystal Structure Determination of Cat (Felis Silvestris Catus) Hemoglobin at 2.0 Angstrom Resolution, PDB code: 3gqp:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 3gqp
Go back to
Iron Binding Sites List in 3gqp
Iron binding site 1 out
of 4 in the Crystal Structure Determination of Cat (Felis Silvestris Catus) Hemoglobin at 2.0 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure Determination of Cat (Felis Silvestris Catus) Hemoglobin at 2.0 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe143
b:35.6
occ:1.00
|
FE
|
A:HEM143
|
0.0
|
35.6
|
1.0
|
NC
|
A:HEM143
|
2.1
|
33.7
|
1.0
|
NB
|
A:HEM143
|
2.1
|
35.1
|
1.0
|
NA
|
A:HEM143
|
2.1
|
36.3
|
1.0
|
ND
|
A:HEM143
|
2.1
|
35.4
|
1.0
|
NE2
|
A:HIS87
|
2.3
|
44.8
|
1.0
|
O
|
A:HOH175
|
2.6
|
32.1
|
1.0
|
C1C
|
A:HEM143
|
3.1
|
32.4
|
1.0
|
C4B
|
A:HEM143
|
3.1
|
34.1
|
1.0
|
C4C
|
A:HEM143
|
3.1
|
32.9
|
1.0
|
C4A
|
A:HEM143
|
3.1
|
36.1
|
1.0
|
CE1
|
A:HIS87
|
3.1
|
44.9
|
1.0
|
C1A
|
A:HEM143
|
3.1
|
36.0
|
1.0
|
C1B
|
A:HEM143
|
3.1
|
35.5
|
1.0
|
C4D
|
A:HEM143
|
3.1
|
35.2
|
1.0
|
C1D
|
A:HEM143
|
3.1
|
35.7
|
1.0
|
CHC
|
A:HEM143
|
3.4
|
31.8
|
1.0
|
CD2
|
A:HIS87
|
3.4
|
45.2
|
1.0
|
CHA
|
A:HEM143
|
3.5
|
36.2
|
1.0
|
CHB
|
A:HEM143
|
3.5
|
35.9
|
1.0
|
CHD
|
A:HEM143
|
3.5
|
34.6
|
1.0
|
NE2
|
A:HIS58
|
4.2
|
29.5
|
1.0
|
C2C
|
A:HEM143
|
4.3
|
31.7
|
1.0
|
ND1
|
A:HIS87
|
4.3
|
44.6
|
1.0
|
C3C
|
A:HEM143
|
4.3
|
31.3
|
1.0
|
C3A
|
A:HEM143
|
4.3
|
36.1
|
1.0
|
C2A
|
A:HEM143
|
4.3
|
36.5
|
1.0
|
C3B
|
A:HEM143
|
4.3
|
33.9
|
1.0
|
C2B
|
A:HEM143
|
4.3
|
34.7
|
1.0
|
C3D
|
A:HEM143
|
4.4
|
35.8
|
1.0
|
C2D
|
A:HEM143
|
4.4
|
35.3
|
1.0
|
CG
|
A:HIS87
|
4.5
|
45.8
|
1.0
|
CE1
|
A:HIS58
|
4.6
|
33.4
|
1.0
|
CG2
|
A:VAL62
|
4.8
|
31.2
|
1.0
|
|
Iron binding site 2 out
of 4 in 3gqp
Go back to
Iron Binding Sites List in 3gqp
Iron binding site 2 out
of 4 in the Crystal Structure Determination of Cat (Felis Silvestris Catus) Hemoglobin at 2.0 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure Determination of Cat (Felis Silvestris Catus) Hemoglobin at 2.0 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe148
b:22.8
occ:1.00
|
FE
|
B:HEM148
|
0.0
|
22.8
|
1.0
|
NC
|
B:HEM148
|
2.0
|
21.2
|
1.0
|
O
|
B:HOH166
|
2.1
|
18.6
|
1.0
|
NB
|
B:HEM148
|
2.1
|
23.0
|
1.0
|
ND
|
B:HEM148
|
2.1
|
21.6
|
1.0
|
NA
|
B:HEM148
|
2.1
|
22.1
|
1.0
|
NE2
|
B:HIS92
|
2.2
|
18.5
|
1.0
|
C4C
|
B:HEM148
|
3.0
|
20.7
|
1.0
|
C1C
|
B:HEM148
|
3.0
|
20.7
|
1.0
|
C4B
|
B:HEM148
|
3.1
|
23.3
|
1.0
|
C1D
|
B:HEM148
|
3.1
|
21.3
|
1.0
|
C1B
|
B:HEM148
|
3.1
|
22.9
|
1.0
|
CE1
|
B:HIS92
|
3.1
|
18.1
|
1.0
|
C4D
|
B:HEM148
|
3.1
|
22.3
|
1.0
|
C4A
|
B:HEM148
|
3.1
|
23.2
|
1.0
|
C1A
|
B:HEM148
|
3.1
|
21.7
|
1.0
|
CD2
|
B:HIS92
|
3.2
|
16.9
|
1.0
|
CHC
|
B:HEM148
|
3.4
|
22.5
|
1.0
|
CHD
|
B:HEM148
|
3.4
|
19.6
|
1.0
|
CHA
|
B:HEM148
|
3.5
|
23.2
|
1.0
|
CHB
|
B:HEM148
|
3.5
|
23.3
|
1.0
|
NE2
|
B:HIS63
|
4.2
|
23.7
|
1.0
|
C3C
|
B:HEM148
|
4.2
|
20.7
|
1.0
|
C2C
|
B:HEM148
|
4.2
|
21.6
|
1.0
|
ND1
|
B:HIS92
|
4.2
|
19.3
|
1.0
|
C3B
|
B:HEM148
|
4.3
|
23.5
|
1.0
|
C2B
|
B:HEM148
|
4.3
|
23.9
|
1.0
|
CG
|
B:HIS92
|
4.3
|
19.5
|
1.0
|
C2D
|
B:HEM148
|
4.3
|
21.5
|
1.0
|
C3D
|
B:HEM148
|
4.3
|
21.7
|
1.0
|
C2A
|
B:HEM148
|
4.4
|
25.0
|
1.0
|
C3A
|
B:HEM148
|
4.4
|
25.2
|
1.0
|
CE1
|
B:HIS63
|
4.6
|
25.0
|
1.0
|
CG2
|
B:VAL67
|
4.9
|
23.3
|
1.0
|
|
Iron binding site 3 out
of 4 in 3gqp
Go back to
Iron Binding Sites List in 3gqp
Iron binding site 3 out
of 4 in the Crystal Structure Determination of Cat (Felis Silvestris Catus) Hemoglobin at 2.0 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure Determination of Cat (Felis Silvestris Catus) Hemoglobin at 2.0 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe143
b:20.3
occ:1.00
|
FE
|
C:HEM143
|
0.0
|
20.3
|
1.0
|
O
|
C:HOH193
|
2.0
|
12.0
|
1.0
|
ND
|
C:HEM143
|
2.0
|
20.5
|
1.0
|
NB
|
C:HEM143
|
2.1
|
18.6
|
1.0
|
NA
|
C:HEM143
|
2.1
|
19.5
|
1.0
|
NC
|
C:HEM143
|
2.1
|
16.3
|
1.0
|
NE2
|
C:HIS87
|
2.2
|
24.9
|
1.0
|
C4D
|
C:HEM143
|
3.0
|
21.4
|
1.0
|
C1A
|
C:HEM143
|
3.0
|
20.2
|
1.0
|
C4B
|
C:HEM143
|
3.1
|
17.5
|
1.0
|
C1C
|
C:HEM143
|
3.1
|
16.7
|
1.0
|
C1D
|
C:HEM143
|
3.1
|
21.8
|
1.0
|
C4A
|
C:HEM143
|
3.1
|
18.6
|
1.0
|
C1B
|
C:HEM143
|
3.1
|
15.9
|
1.0
|
CD2
|
C:HIS87
|
3.1
|
27.2
|
1.0
|
C4C
|
C:HEM143
|
3.1
|
15.8
|
1.0
|
CE1
|
C:HIS87
|
3.2
|
25.8
|
1.0
|
CHA
|
C:HEM143
|
3.4
|
21.5
|
1.0
|
CHC
|
C:HEM143
|
3.4
|
16.7
|
1.0
|
CHB
|
C:HEM143
|
3.5
|
17.8
|
1.0
|
CHD
|
C:HEM143
|
3.5
|
17.1
|
1.0
|
NE2
|
C:HIS58
|
4.2
|
15.1
|
1.0
|
C2A
|
C:HEM143
|
4.2
|
21.2
|
1.0
|
C3D
|
C:HEM143
|
4.2
|
21.9
|
1.0
|
C3A
|
C:HEM143
|
4.3
|
19.6
|
1.0
|
C2D
|
C:HEM143
|
4.3
|
20.2
|
1.0
|
C3B
|
C:HEM143
|
4.3
|
14.6
|
1.0
|
CG
|
C:HIS87
|
4.3
|
29.1
|
1.0
|
C2B
|
C:HEM143
|
4.3
|
16.8
|
1.0
|
ND1
|
C:HIS87
|
4.3
|
27.4
|
1.0
|
C2C
|
C:HEM143
|
4.3
|
15.8
|
1.0
|
C3C
|
C:HEM143
|
4.3
|
13.4
|
1.0
|
CE1
|
C:HIS58
|
4.7
|
17.0
|
1.0
|
CG2
|
C:VAL62
|
5.0
|
19.8
|
1.0
|
|
Iron binding site 4 out
of 4 in 3gqp
Go back to
Iron Binding Sites List in 3gqp
Iron binding site 4 out
of 4 in the Crystal Structure Determination of Cat (Felis Silvestris Catus) Hemoglobin at 2.0 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure Determination of Cat (Felis Silvestris Catus) Hemoglobin at 2.0 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe148
b:25.2
occ:1.00
|
FE
|
D:HEM148
|
0.0
|
25.2
|
1.0
|
NC
|
D:HEM148
|
2.0
|
25.6
|
1.0
|
NB
|
D:HEM148
|
2.1
|
25.1
|
1.0
|
NA
|
D:HEM148
|
2.1
|
26.4
|
1.0
|
NE2
|
D:HIS92
|
2.2
|
24.2
|
1.0
|
ND
|
D:HEM148
|
2.2
|
24.7
|
1.0
|
C1C
|
D:HEM148
|
3.0
|
25.8
|
1.0
|
CD2
|
D:HIS92
|
3.0
|
23.2
|
1.0
|
C4C
|
D:HEM148
|
3.0
|
23.1
|
1.0
|
C4B
|
D:HEM148
|
3.1
|
22.6
|
1.0
|
C1B
|
D:HEM148
|
3.1
|
23.8
|
1.0
|
C4A
|
D:HEM148
|
3.1
|
26.2
|
1.0
|
C1A
|
D:HEM148
|
3.1
|
27.9
|
1.0
|
C1D
|
D:HEM148
|
3.1
|
24.2
|
1.0
|
C4D
|
D:HEM148
|
3.2
|
25.6
|
1.0
|
CE1
|
D:HIS92
|
3.2
|
25.3
|
1.0
|
CHC
|
D:HEM148
|
3.3
|
23.1
|
1.0
|
CHD
|
D:HEM148
|
3.4
|
23.9
|
1.0
|
CHB
|
D:HEM148
|
3.5
|
24.3
|
1.0
|
CHA
|
D:HEM148
|
3.5
|
25.0
|
1.0
|
C2C
|
D:HEM148
|
4.2
|
23.6
|
1.0
|
C3C
|
D:HEM148
|
4.2
|
23.1
|
1.0
|
CG
|
D:HIS92
|
4.2
|
23.0
|
1.0
|
ND1
|
D:HIS92
|
4.3
|
25.6
|
1.0
|
NE2
|
D:HIS63
|
4.3
|
22.5
|
1.0
|
C3B
|
D:HEM148
|
4.3
|
22.4
|
1.0
|
C2B
|
D:HEM148
|
4.3
|
21.8
|
1.0
|
C3A
|
D:HEM148
|
4.3
|
28.2
|
1.0
|
C2A
|
D:HEM148
|
4.3
|
28.8
|
1.0
|
C2D
|
D:HEM148
|
4.4
|
24.2
|
1.0
|
C3D
|
D:HEM148
|
4.4
|
25.4
|
1.0
|
CE1
|
D:HIS63
|
4.9
|
22.9
|
1.0
|
CD1
|
D:LEU96
|
4.9
|
23.8
|
1.0
|
CG2
|
D:VAL67
|
4.9
|
21.8
|
1.0
|
|
Reference:
M.Balasubramanian,
P.Sathya Moorthy,
K.Neelagandan,
M.N.Ponnuswamy.
Crystal Structure Determination of Cat (Felis Silvestris Catus) Hemoglobin at 2 Angstrom Resolution To Be Published.
Page generated: Sun Aug 4 10:52:01 2024
|