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Iron in PDB 2r80: Pigeon Hemoglobin (Oxy Form)

Protein crystallography data

The structure of Pigeon Hemoglobin (Oxy Form), PDB code: 2r80 was solved by M.N.Ponnuswamy, C.Packianathan, S.Sundaresan, K.Neelagandan, K.Palani, J.J.Muller, U.Heinemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.81 / 1.44
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.086, 81.543, 79.214, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 23.5

Iron Binding Sites:

The binding sites of Iron atom in the Pigeon Hemoglobin (Oxy Form) (pdb code 2r80). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Pigeon Hemoglobin (Oxy Form), PDB code: 2r80:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 2r80

Go back to Iron Binding Sites List in 2r80
Iron binding site 1 out of 4 in the Pigeon Hemoglobin (Oxy Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Pigeon Hemoglobin (Oxy Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe150

b:11.2
occ:1.00
FE A:HEM150 0.0 11.2 1.0
NC A:HEM150 2.0 9.7 1.0
NA A:HEM150 2.1 11.0 1.0
NB A:HEM150 2.1 12.3 1.0
ND A:HEM150 2.1 13.1 1.0
NE2 A:HIS87 2.1 13.4 1.0
O1 A:OXY151 2.2 19.3 1.0
CE1 A:HIS87 3.0 14.4 1.0
C1C A:HEM150 3.0 11.2 1.0
C4D A:HEM150 3.1 13.7 1.0
C4B A:HEM150 3.1 12.2 1.0
C4C A:HEM150 3.1 10.5 1.0
C1D A:HEM150 3.1 12.9 1.0
C1A A:HEM150 3.1 13.8 1.0
C4A A:HEM150 3.1 13.0 1.0
C1B A:HEM150 3.1 12.8 1.0
O2 A:OXY151 3.1 10.0 0.5
CD2 A:HIS87 3.2 11.5 1.0
CHC A:HEM150 3.4 12.3 1.0
CHA A:HEM150 3.4 14.4 1.0
CHD A:HEM150 3.4 12.9 1.0
CHB A:HEM150 3.5 13.2 1.0
ND1 A:HIS87 4.2 14.3 1.0
CG A:HIS87 4.3 13.8 1.0
NE2 A:HIS58 4.3 15.2 1.0
C3D A:HEM150 4.3 14.2 1.0
C2C A:HEM150 4.3 11.4 1.0
C3C A:HEM150 4.3 11.6 1.0
C3B A:HEM150 4.3 13.7 1.0
C2B A:HEM150 4.3 12.3 1.0
C3A A:HEM150 4.3 14.6 1.0
C2D A:HEM150 4.3 13.6 1.0
C2A A:HEM150 4.3 15.6 1.0
CE1 A:HIS58 4.8 15.7 1.0
CG2 A:VAL62 4.9 11.2 1.0

Iron binding site 2 out of 4 in 2r80

Go back to Iron Binding Sites List in 2r80
Iron binding site 2 out of 4 in the Pigeon Hemoglobin (Oxy Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Pigeon Hemoglobin (Oxy Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe150

b:8.4
occ:1.00
FE B:HEM150 0.0 8.4 1.0
ND B:HEM150 2.0 8.7 1.0
NA B:HEM150 2.0 8.1 1.0
NB B:HEM150 2.0 7.7 1.0
NC B:HEM150 2.0 6.9 1.0
O1 B:OXY151 2.0 13.5 1.0
NE2 B:HIS92 2.1 10.6 1.0
O2 B:OXY151 2.9 16.5 1.0
C4A B:HEM150 3.0 10.6 1.0
C1D B:HEM150 3.0 8.4 1.0
C1B B:HEM150 3.1 7.7 1.0
C4D B:HEM150 3.1 8.3 1.0
C4C B:HEM150 3.1 7.2 1.0
CE1 B:HIS92 3.1 10.7 1.0
C4B B:HEM150 3.1 8.6 1.0
C1C B:HEM150 3.1 7.0 1.0
CD2 B:HIS92 3.1 9.8 1.0
C1A B:HEM150 3.1 9.6 1.0
CHB B:HEM150 3.4 9.0 1.0
CHD B:HEM150 3.4 8.4 1.0
CHC B:HEM150 3.4 8.1 1.0
CHA B:HEM150 3.5 9.3 1.0
ND1 B:HIS92 4.2 10.2 1.0
CG B:HIS92 4.2 10.3 1.0
C3A B:HEM150 4.3 11.7 1.0
C2B B:HEM150 4.3 8.4 1.0
NE2 B:HIS63 4.3 9.8 1.0
C3D B:HEM150 4.3 9.5 1.0
C3B B:HEM150 4.3 9.8 1.0
C2D B:HEM150 4.3 8.6 1.0
C2C B:HEM150 4.3 6.8 1.0
C3C B:HEM150 4.3 8.5 1.0
C2A B:HEM150 4.3 11.2 1.0
CG2 B:VAL67 4.8 8.4 1.0
CE1 B:HIS63 5.0 12.3 1.0

Iron binding site 3 out of 4 in 2r80

Go back to Iron Binding Sites List in 2r80
Iron binding site 3 out of 4 in the Pigeon Hemoglobin (Oxy Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Pigeon Hemoglobin (Oxy Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe150

b:6.6
occ:1.00
FE C:HEM150 0.0 6.6 1.0
NC C:HEM150 2.0 5.9 1.0
NA C:HEM150 2.0 5.0 1.0
NB C:HEM150 2.0 6.1 1.0
ND C:HEM150 2.0 6.9 1.0
NE2 C:HIS87 2.1 8.2 1.0
O1 C:OXY151 2.2 12.0 1.0
C1C C:HEM150 3.0 5.1 1.0
CE1 C:HIS87 3.0 7.7 1.0
C4B C:HEM150 3.0 7.2 1.0
C1A C:HEM150 3.1 5.3 1.0
C4D C:HEM150 3.1 7.1 1.0
C4C C:HEM150 3.1 6.0 1.0
C4A C:HEM150 3.1 7.4 1.0
C1D C:HEM150 3.1 7.2 1.0
C1B C:HEM150 3.1 6.8 1.0
CD2 C:HIS87 3.1 7.3 1.0
O2 C:OXY151 3.1 16.3 1.0
CHC C:HEM150 3.4 7.2 1.0
CHA C:HEM150 3.4 6.6 1.0
CHB C:HEM150 3.4 7.7 1.0
CHD C:HEM150 3.5 7.4 1.0
ND1 C:HIS87 4.1 7.7 1.0
CG C:HIS87 4.2 6.2 1.0
C2C C:HEM150 4.2 6.8 1.0
C3C C:HEM150 4.3 7.9 1.0
C2A C:HEM150 4.3 8.3 1.0
C3B C:HEM150 4.3 8.3 1.0
C3A C:HEM150 4.3 7.3 1.0
C2B C:HEM150 4.3 5.9 1.0
C2D C:HEM150 4.3 8.0 1.0
C3D C:HEM150 4.3 8.7 1.0
NE2 C:HIS58 4.3 8.6 1.0
CG2 C:VAL62 4.8 8.7 1.0

Iron binding site 4 out of 4 in 2r80

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Iron binding site 4 out of 4 in the Pigeon Hemoglobin (Oxy Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Pigeon Hemoglobin (Oxy Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe150

b:9.1
occ:1.00
FE D:HEM150 0.0 9.1 1.0
ND D:HEM150 2.0 10.3 1.0
NB D:HEM150 2.0 9.0 1.0
NC D:HEM150 2.0 7.9 1.0
NA D:HEM150 2.0 8.4 1.0
NE2 D:HIS92 2.1 8.1 1.0
O1 D:OXY151 2.1 12.7 1.0
C1C D:HEM150 3.0 8.3 1.0
O2 D:OXY151 3.0 17.2 1.0
CE1 D:HIS92 3.0 8.0 1.0
C1D D:HEM150 3.0 9.4 1.0
C1B D:HEM150 3.0 9.0 1.0
C4D D:HEM150 3.0 8.9 1.0
C4C D:HEM150 3.1 7.3 1.0
C4B D:HEM150 3.1 8.1 1.0
CD2 D:HIS92 3.1 8.4 1.0
C4A D:HEM150 3.1 8.7 1.0
C1A D:HEM150 3.1 10.2 1.0
CHD D:HEM150 3.4 10.0 1.0
CHC D:HEM150 3.4 8.8 1.0
CHB D:HEM150 3.4 10.1 1.0
CHA D:HEM150 3.4 10.3 1.0
ND1 D:HIS92 4.2 8.0 1.0
CG D:HIS92 4.2 9.2 1.0
C2C D:HEM150 4.2 7.8 1.0
C3C D:HEM150 4.3 9.7 1.0
C2D D:HEM150 4.3 11.7 1.0
C2B D:HEM150 4.3 9.9 1.0
C3D D:HEM150 4.3 11.8 1.0
C3B D:HEM150 4.3 10.2 1.0
NE2 D:HIS63 4.3 11.1 1.0
C3A D:HEM150 4.3 8.8 1.0
C2A D:HEM150 4.3 11.1 1.0
CG2 D:VAL67 4.8 10.5 1.0
CE1 D:HIS63 4.9 12.8 1.0

Reference:

M.N.Ponnuswamy, C.Packianathan, S.Sundaresan, K.Neelagandan, K.Palani, J.J.Muller, U.Heinemann. X-Ray Crystal Structure Analysis of Hemolgobin From Pigeon (Columba Livia) at 1.44 Angstrom To Be Published.
Page generated: Sun Dec 13 14:52:31 2020

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