Iron in PDB 3gdj: Crystal Structure Determination of Camel(Camelus Dromedarius) Hemoglobin at 2 Angstrom Resolution
Protein crystallography data
The structure of Crystal Structure Determination of Camel(Camelus Dromedarius) Hemoglobin at 2 Angstrom Resolution, PDB code: 3gdj
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)
|
20.00 /
2.00
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
52.759,
116.782,
52.807,
90.00,
120.07,
90.00
|
R / Rfree (%)
|
22.4 /
29.5
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure Determination of Camel(Camelus Dromedarius) Hemoglobin at 2 Angstrom Resolution
(pdb code 3gdj). 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 Camel(Camelus Dromedarius) Hemoglobin at 2 Angstrom Resolution, PDB code: 3gdj:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 3gdj
Go back to
Iron Binding Sites List in 3gdj
Iron binding site 1 out
of 4 in the Crystal Structure Determination of Camel(Camelus Dromedarius) Hemoglobin at 2 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 Camel(Camelus Dromedarius) Hemoglobin at 2 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe142
b:26.8
occ:1.00
|
FE
|
A:HEM142
|
0.0
|
26.8
|
1.0
|
NC
|
A:HEM142
|
2.1
|
24.9
|
1.0
|
ND
|
A:HEM142
|
2.1
|
25.4
|
1.0
|
NA
|
A:HEM142
|
2.1
|
26.6
|
1.0
|
NB
|
A:HEM142
|
2.1
|
25.1
|
1.0
|
O
|
A:HOH158
|
2.2
|
33.8
|
1.0
|
NE2
|
A:HIS87
|
2.4
|
34.1
|
1.0
|
C4D
|
A:HEM142
|
3.0
|
24.8
|
1.0
|
C1A
|
A:HEM142
|
3.0
|
27.1
|
1.0
|
C1C
|
A:HEM142
|
3.1
|
25.1
|
1.0
|
C1D
|
A:HEM142
|
3.1
|
24.3
|
1.0
|
C4C
|
A:HEM142
|
3.1
|
24.6
|
1.0
|
C4B
|
A:HEM142
|
3.1
|
24.9
|
1.0
|
C4A
|
A:HEM142
|
3.1
|
26.6
|
1.0
|
C1B
|
A:HEM142
|
3.2
|
25.5
|
1.0
|
CD2
|
A:HIS87
|
3.3
|
33.4
|
1.0
|
CE1
|
A:HIS87
|
3.4
|
33.8
|
1.0
|
CHA
|
A:HEM142
|
3.4
|
25.5
|
1.0
|
CHC
|
A:HEM142
|
3.4
|
25.5
|
1.0
|
CHD
|
A:HEM142
|
3.5
|
25.0
|
1.0
|
CHB
|
A:HEM142
|
3.5
|
25.9
|
1.0
|
NE2
|
A:HIS58
|
4.1
|
27.4
|
1.0
|
C2A
|
A:HEM142
|
4.3
|
28.8
|
1.0
|
C3D
|
A:HEM142
|
4.3
|
24.6
|
1.0
|
C2C
|
A:HEM142
|
4.3
|
24.3
|
1.0
|
C3A
|
A:HEM142
|
4.3
|
27.5
|
1.0
|
C2D
|
A:HEM142
|
4.3
|
23.9
|
1.0
|
C3C
|
A:HEM142
|
4.3
|
24.1
|
1.0
|
C3B
|
A:HEM142
|
4.4
|
23.9
|
1.0
|
C2B
|
A:HEM142
|
4.4
|
24.5
|
1.0
|
CE1
|
A:HIS58
|
4.5
|
27.3
|
1.0
|
ND1
|
A:HIS87
|
4.5
|
34.0
|
1.0
|
CG
|
A:HIS87
|
4.5
|
33.8
|
1.0
|
CG2
|
A:VAL62
|
4.7
|
27.2
|
1.0
|
|
Iron binding site 2 out
of 4 in 3gdj
Go back to
Iron Binding Sites List in 3gdj
Iron binding site 2 out
of 4 in the Crystal Structure Determination of Camel(Camelus Dromedarius) Hemoglobin at 2 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 Camel(Camelus Dromedarius) Hemoglobin at 2 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe147
b:26.7
occ:1.00
|
FE
|
B:HEM147
|
0.0
|
26.7
|
1.0
|
O
|
B:HOH164
|
1.9
|
26.5
|
1.0
|
NB
|
B:HEM147
|
2.0
|
26.6
|
1.0
|
NC
|
B:HEM147
|
2.1
|
26.8
|
1.0
|
ND
|
B:HEM147
|
2.1
|
26.9
|
1.0
|
NA
|
B:HEM147
|
2.1
|
26.7
|
1.0
|
NE2
|
B:HIS92
|
2.2
|
27.2
|
1.0
|
C4B
|
B:HEM147
|
3.1
|
26.9
|
1.0
|
C1D
|
B:HEM147
|
3.1
|
26.6
|
1.0
|
C1B
|
B:HEM147
|
3.1
|
27.0
|
1.0
|
CE1
|
B:HIS92
|
3.1
|
26.6
|
1.0
|
C4C
|
B:HEM147
|
3.1
|
27.2
|
1.0
|
C1C
|
B:HEM147
|
3.1
|
27.2
|
1.0
|
C4D
|
B:HEM147
|
3.1
|
26.9
|
1.0
|
C4A
|
B:HEM147
|
3.1
|
26.8
|
1.0
|
C1A
|
B:HEM147
|
3.1
|
26.8
|
1.0
|
CD2
|
B:HIS92
|
3.2
|
26.0
|
1.0
|
CHD
|
B:HEM147
|
3.4
|
27.0
|
1.0
|
CHC
|
B:HEM147
|
3.4
|
27.0
|
1.0
|
CHB
|
B:HEM147
|
3.4
|
26.8
|
1.0
|
CHA
|
B:HEM147
|
3.5
|
26.7
|
1.0
|
NE2
|
B:HIS63
|
4.1
|
25.3
|
1.0
|
ND1
|
B:HIS92
|
4.2
|
26.4
|
1.0
|
C3B
|
B:HEM147
|
4.3
|
27.3
|
1.0
|
C2B
|
B:HEM147
|
4.3
|
27.5
|
1.0
|
C2D
|
B:HEM147
|
4.3
|
27.3
|
1.0
|
C3D
|
B:HEM147
|
4.3
|
28.1
|
1.0
|
C3C
|
B:HEM147
|
4.3
|
26.4
|
1.0
|
C2C
|
B:HEM147
|
4.3
|
26.2
|
1.0
|
CG
|
B:HIS92
|
4.3
|
28.1
|
1.0
|
C3A
|
B:HEM147
|
4.4
|
27.4
|
1.0
|
C2A
|
B:HEM147
|
4.4
|
28.6
|
1.0
|
CE1
|
B:HIS63
|
4.5
|
25.5
|
1.0
|
CG2
|
B:VAL67
|
4.6
|
27.6
|
1.0
|
|
Iron binding site 3 out
of 4 in 3gdj
Go back to
Iron Binding Sites List in 3gdj
Iron binding site 3 out
of 4 in the Crystal Structure Determination of Camel(Camelus Dromedarius) Hemoglobin at 2 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 Camel(Camelus Dromedarius) Hemoglobin at 2 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe142
b:27.1
occ:1.00
|
FE
|
C:HEM142
|
0.0
|
27.1
|
1.0
|
NB
|
C:HEM142
|
2.0
|
26.0
|
1.0
|
NC
|
C:HEM142
|
2.0
|
25.9
|
1.0
|
ND
|
C:HEM142
|
2.1
|
25.7
|
1.0
|
NA
|
C:HEM142
|
2.1
|
27.8
|
1.0
|
NE2
|
C:HIS87
|
2.2
|
31.1
|
1.0
|
O
|
C:HOH206
|
2.5
|
30.4
|
1.0
|
C1C
|
C:HEM142
|
3.0
|
24.6
|
1.0
|
C4B
|
C:HEM142
|
3.0
|
24.7
|
1.0
|
C1B
|
C:HEM142
|
3.1
|
26.1
|
1.0
|
C4C
|
C:HEM142
|
3.1
|
25.1
|
1.0
|
C1D
|
C:HEM142
|
3.1
|
25.6
|
1.0
|
C4A
|
C:HEM142
|
3.1
|
27.0
|
1.0
|
C4D
|
C:HEM142
|
3.1
|
26.0
|
1.0
|
C1A
|
C:HEM142
|
3.1
|
27.4
|
1.0
|
CD2
|
C:HIS87
|
3.1
|
29.1
|
1.0
|
CE1
|
C:HIS87
|
3.2
|
28.7
|
1.0
|
CHC
|
C:HEM142
|
3.4
|
25.7
|
1.0
|
CHD
|
C:HEM142
|
3.4
|
25.2
|
1.0
|
CHB
|
C:HEM142
|
3.4
|
26.7
|
1.0
|
CHA
|
C:HEM142
|
3.5
|
26.5
|
1.0
|
NE2
|
C:HIS58
|
4.2
|
29.0
|
1.0
|
C2C
|
C:HEM142
|
4.3
|
25.2
|
1.0
|
C3B
|
C:HEM142
|
4.3
|
24.9
|
1.0
|
C3C
|
C:HEM142
|
4.3
|
23.6
|
1.0
|
C2B
|
C:HEM142
|
4.3
|
26.2
|
1.0
|
CG
|
C:HIS87
|
4.3
|
29.0
|
1.0
|
C3A
|
C:HEM142
|
4.3
|
28.0
|
1.0
|
C2D
|
C:HEM142
|
4.3
|
25.3
|
1.0
|
ND1
|
C:HIS87
|
4.3
|
29.4
|
1.0
|
C3D
|
C:HEM142
|
4.3
|
25.5
|
1.0
|
C2A
|
C:HEM142
|
4.4
|
28.5
|
1.0
|
CE1
|
C:HIS58
|
4.6
|
28.6
|
1.0
|
CG2
|
C:VAL62
|
4.9
|
27.7
|
1.0
|
|
Iron binding site 4 out
of 4 in 3gdj
Go back to
Iron Binding Sites List in 3gdj
Iron binding site 4 out
of 4 in the Crystal Structure Determination of Camel(Camelus Dromedarius) Hemoglobin at 2 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 Camel(Camelus Dromedarius) Hemoglobin at 2 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe147
b:28.2
occ:1.00
|
FE
|
D:HEM147
|
0.0
|
28.2
|
1.0
|
O
|
D:HOH236
|
1.8
|
24.2
|
1.0
|
NC
|
D:HEM147
|
2.1
|
27.1
|
1.0
|
NE2
|
D:HIS92
|
2.1
|
24.6
|
1.0
|
NB
|
D:HEM147
|
2.1
|
27.5
|
1.0
|
ND
|
D:HEM147
|
2.1
|
27.9
|
1.0
|
NA
|
D:HEM147
|
2.1
|
28.2
|
1.0
|
CE1
|
D:HIS92
|
2.9
|
26.2
|
1.0
|
C1D
|
D:HEM147
|
3.1
|
28.5
|
1.0
|
C4C
|
D:HEM147
|
3.1
|
28.1
|
1.0
|
C1C
|
D:HEM147
|
3.1
|
27.2
|
1.0
|
C4B
|
D:HEM147
|
3.1
|
27.7
|
1.0
|
C1B
|
D:HEM147
|
3.1
|
28.4
|
1.0
|
C4A
|
D:HEM147
|
3.1
|
28.8
|
1.0
|
C4D
|
D:HEM147
|
3.1
|
27.8
|
1.0
|
C1A
|
D:HEM147
|
3.1
|
28.3
|
1.0
|
CD2
|
D:HIS92
|
3.2
|
24.9
|
1.0
|
CHD
|
D:HEM147
|
3.4
|
27.9
|
1.0
|
CHC
|
D:HEM147
|
3.4
|
28.0
|
1.0
|
CHB
|
D:HEM147
|
3.5
|
27.7
|
1.0
|
CHA
|
D:HEM147
|
3.5
|
28.4
|
1.0
|
NE2
|
D:HIS63
|
4.1
|
26.8
|
1.0
|
ND1
|
D:HIS92
|
4.1
|
26.3
|
1.0
|
CG
|
D:HIS92
|
4.2
|
27.2
|
1.0
|
C2C
|
D:HEM147
|
4.3
|
27.3
|
1.0
|
C3C
|
D:HEM147
|
4.3
|
28.3
|
1.0
|
C2D
|
D:HEM147
|
4.3
|
29.0
|
1.0
|
C3B
|
D:HEM147
|
4.3
|
28.3
|
1.0
|
C2B
|
D:HEM147
|
4.3
|
28.4
|
1.0
|
C3D
|
D:HEM147
|
4.3
|
28.8
|
1.0
|
C3A
|
D:HEM147
|
4.4
|
29.1
|
1.0
|
C2A
|
D:HEM147
|
4.4
|
29.9
|
1.0
|
CE1
|
D:HIS63
|
4.5
|
26.1
|
1.0
|
CG2
|
D:VAL67
|
4.6
|
27.5
|
1.0
|
|
Reference:
M.Balasubramanian,
P.Sathya Moorthy,
K.Neelagandan,
M.N.Ponnuswamy.
Crystal Structure Determination of Camel(Camelus Dromedarius)Hemoglobin at 2 Angstrom Resolution To Be Published.
Page generated: Sun Aug 4 10:41:59 2024
|