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Iron in PDB 1hv4: Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form)

Protein crystallography data

The structure of Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form), PDB code: 1hv4 was solved by Y.Liang, Z.Hua, X.Liang, Q.Xu, G.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.89 / 2.80
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 70.660, 94.100, 59.230, 71.55, 65.10, 83.10
R / Rfree (%) 19.7 / 24.3

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form) (pdb code 1hv4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form), PDB code: 1hv4:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 1hv4

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Iron binding site 1 out of 8 in the Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe151

b:25.5
occ:1.00
FE A:HEM151 0.0 25.5 1.0
NC A:HEM151 1.9 22.1 1.0
ND A:HEM151 1.9 25.6 1.0
NA A:HEM151 2.0 30.1 1.0
NB A:HEM151 2.1 23.7 1.0
NE2 A:HIS87 2.3 25.0 1.0
C4C A:HEM151 2.8 19.1 1.0
C1D A:HEM151 2.9 23.6 1.0
C1C A:HEM151 3.0 16.7 1.0
C4D A:HEM151 3.0 22.7 1.0
C4A A:HEM151 3.1 30.2 1.0
C1A A:HEM151 3.1 29.1 1.0
C1B A:HEM151 3.1 19.6 1.0
C4B A:HEM151 3.1 19.4 1.0
CHD A:HEM151 3.2 21.4 1.0
CD2 A:HIS87 3.3 27.5 1.0
CE1 A:HIS87 3.3 26.8 1.0
CHC A:HEM151 3.4 14.6 1.0
CHA A:HEM151 3.5 23.9 1.0
CHB A:HEM151 3.5 28.0 1.0
C2D A:HEM151 4.1 23.9 1.0
C3C A:HEM151 4.1 15.4 1.0
C2C A:HEM151 4.2 18.2 1.0
C3D A:HEM151 4.2 21.1 1.0
NE2 A:HIS58 4.3 39.6 1.0
C3A A:HEM151 4.3 31.9 1.0
C2A A:HEM151 4.3 33.8 1.0
C2B A:HEM151 4.3 18.4 1.0
C3B A:HEM151 4.4 20.5 1.0
ND1 A:HIS87 4.4 20.6 1.0
CG A:HIS87 4.4 23.4 1.0
CE1 A:HIS58 4.8 38.3 1.0

Iron binding site 2 out of 8 in 1hv4

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Iron binding site 2 out of 8 in the Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe152

b:34.6
occ:1.00
FE B:HEM152 0.0 34.6 1.0
ND B:HEM152 1.9 29.7 1.0
NB B:HEM152 2.0 28.4 1.0
NC B:HEM152 2.1 29.6 1.0
NA B:HEM152 2.1 38.1 1.0
NE2 B:HIS92 2.3 32.7 1.0
C1D B:HEM152 2.9 26.2 1.0
C4D B:HEM152 3.0 32.1 1.0
C1B B:HEM152 3.0 27.9 1.0
CE1 B:HIS92 3.1 31.9 1.0
C4B B:HEM152 3.1 24.8 1.0
C4C B:HEM152 3.1 26.9 1.0
C4A B:HEM152 3.1 37.0 1.0
C1C B:HEM152 3.1 25.5 1.0
C1A B:HEM152 3.2 36.8 1.0
CHD B:HEM152 3.4 31.4 1.0
CHB B:HEM152 3.4 35.1 1.0
CHA B:HEM152 3.5 33.1 1.0
CD2 B:HIS92 3.5 33.2 1.0
CHC B:HEM152 3.5 24.5 1.0
C2D B:HEM152 4.2 28.6 1.0
C3D B:HEM152 4.2 34.2 1.0
NE2 B:HIS63 4.2 20.2 1.0
C2B B:HEM152 4.3 25.4 1.0
C3B B:HEM152 4.3 25.7 1.0
ND1 B:HIS92 4.3 34.0 1.0
C3C B:HEM152 4.3 22.3 1.0
C3A B:HEM152 4.3 37.8 1.0
C2C B:HEM152 4.4 24.4 1.0
CG2 B:VAL67 4.4 21.8 1.0
C2A B:HEM152 4.4 39.4 1.0
CG B:HIS92 4.5 33.8 1.0
CE1 B:HIS63 4.6 21.4 1.0

Iron binding site 3 out of 8 in 1hv4

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Iron binding site 3 out of 8 in the Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe153

b:3.8
occ:1.00
FE C:HEM153 0.0 3.8 1.0
NC C:HEM153 1.9 8.5 1.0
ND C:HEM153 1.9 19.2 1.0
NA C:HEM153 2.0 17.6 1.0
NB C:HEM153 2.1 16.7 1.0
NE2 C:HIS87 2.3 13.3 1.0
C4C C:HEM153 2.9 10.2 1.0
C1D C:HEM153 2.9 15.6 1.0
C4A C:HEM153 3.0 19.7 1.0
C1C C:HEM153 3.0 4.0 1.0
C1A C:HEM153 3.0 22.6 1.0
C4D C:HEM153 3.1 21.1 1.0
C1B C:HEM153 3.1 11.5 1.0
C4B C:HEM153 3.1 12.8 1.0
CD2 C:HIS87 3.3 16.1 1.0
CE1 C:HIS87 3.3 15.3 1.0
CHD C:HEM153 3.3 11.4 1.0
CHB C:HEM153 3.4 18.0 1.0
CHC C:HEM153 3.4 12.6 1.0
CHA C:HEM153 3.5 21.0 1.0
C2D C:HEM153 4.1 19.4 1.0
C3C C:HEM153 4.2 9.0 1.0
C2C C:HEM153 4.2 3.5 1.0
C3D C:HEM153 4.2 20.0 1.0
C3A C:HEM153 4.2 21.1 1.0
C2A C:HEM153 4.3 24.2 1.0
NE2 C:HIS58 4.3 22.7 1.0
C2B C:HEM153 4.3 11.7 1.0
C3B C:HEM153 4.3 10.0 1.0
ND1 C:HIS87 4.4 16.7 1.0
CG C:HIS87 4.4 18.8 1.0
CE1 C:HIS58 4.8 24.4 1.0

Iron binding site 4 out of 8 in 1hv4

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Iron binding site 4 out of 8 in the Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe154

b:46.8
occ:1.00
FE D:HEM154 0.0 46.8 1.0
NB D:HEM154 2.0 40.5 1.0
ND D:HEM154 2.0 42.3 1.0
NA D:HEM154 2.0 45.9 1.0
NC D:HEM154 2.1 39.2 1.0
NE2 D:HIS92 2.4 39.3 1.0
C1B D:HEM154 3.0 40.4 1.0
C4A D:HEM154 3.0 46.1 1.0
C1D D:HEM154 3.0 39.0 1.0
C4D D:HEM154 3.0 43.0 1.0
C4B D:HEM154 3.1 38.9 1.0
C1A D:HEM154 3.1 47.2 1.0
CE1 D:HIS92 3.1 41.2 1.0
C4C D:HEM154 3.2 34.2 1.0
C1C D:HEM154 3.2 39.1 1.0
CHB D:HEM154 3.4 45.5 1.0
CHD D:HEM154 3.5 38.0 1.0
CHA D:HEM154 3.5 44.9 1.0
CHC D:HEM154 3.5 38.6 1.0
CD2 D:HIS92 3.6 42.7 1.0
NE2 D:HIS63 4.1 34.8 1.0
CG2 D:VAL67 4.2 25.4 1.0
C2B D:HEM154 4.2 35.8 1.0
C3D D:HEM154 4.2 41.4 1.0
C2D D:HEM154 4.2 38.2 1.0
C3B D:HEM154 4.3 37.7 1.0
C3A D:HEM154 4.3 46.6 1.0
ND1 D:HIS92 4.4 44.8 1.0
C2A D:HEM154 4.4 46.4 1.0
C3C D:HEM154 4.4 34.1 1.0
C2C D:HEM154 4.4 36.2 1.0
CE1 D:HIS63 4.5 30.1 1.0
CG D:HIS92 4.6 42.3 1.0

Iron binding site 5 out of 8 in 1hv4

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Iron binding site 5 out of 8 in the Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe155

b:26.6
occ:1.00
FE E:HEM155 0.0 26.6 1.0
NC E:HEM155 1.9 16.9 1.0
ND E:HEM155 1.9 25.5 1.0
NA E:HEM155 1.9 26.1 1.0
NB E:HEM155 2.1 22.8 1.0
NE2 E:HIS87 2.3 23.2 1.0
C4C E:HEM155 2.9 16.4 1.0
C1D E:HEM155 2.9 22.5 1.0
C1C E:HEM155 3.0 13.9 1.0
C4A E:HEM155 3.0 30.9 1.0
C4D E:HEM155 3.0 24.6 1.0
C1A E:HEM155 3.1 27.7 1.0
C1B E:HEM155 3.1 22.9 1.0
C4B E:HEM155 3.1 15.9 1.0
CD2 E:HIS87 3.2 24.8 1.0
CE1 E:HIS87 3.2 25.7 1.0
CHD E:HEM155 3.3 17.7 1.0
CHB E:HEM155 3.4 28.1 1.0
CHC E:HEM155 3.5 15.7 1.0
CHA E:HEM155 3.5 24.1 1.0
C2D E:HEM155 4.1 24.6 1.0
C3C E:HEM155 4.1 13.7 1.0
C2C E:HEM155 4.2 16.7 1.0
C3D E:HEM155 4.2 23.8 1.0
C3A E:HEM155 4.3 33.0 1.0
C2A E:HEM155 4.3 33.5 1.0
C2B E:HEM155 4.3 20.6 1.0
C3B E:HEM155 4.3 19.8 1.0
NE2 E:HIS58 4.3 44.8 1.0
ND1 E:HIS87 4.4 18.6 1.0
CG E:HIS87 4.4 22.4 1.0
CE1 E:HIS58 4.9 42.3 1.0

Iron binding site 6 out of 8 in 1hv4

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Iron binding site 6 out of 8 in the Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe156

b:36.9
occ:1.00
FE F:HEM156 0.0 36.9 1.0
ND F:HEM156 1.9 26.8 1.0
NB F:HEM156 2.0 30.3 1.0
NA F:HEM156 2.1 38.1 1.0
NC F:HEM156 2.1 31.4 1.0
NE2 F:HIS92 2.3 31.2 1.0
C1D F:HEM156 3.0 26.9 1.0
C4D F:HEM156 3.0 28.8 1.0
CE1 F:HIS92 3.0 30.1 1.0
C1B F:HEM156 3.0 27.6 1.0
C4B F:HEM156 3.1 27.7 1.0
C4A F:HEM156 3.1 37.0 1.0
C4C F:HEM156 3.1 26.4 1.0
C1C F:HEM156 3.2 28.1 1.0
C1A F:HEM156 3.2 36.9 1.0
CHB F:HEM156 3.4 34.2 1.0
CHD F:HEM156 3.4 27.2 1.0
CD2 F:HIS92 3.4 31.6 1.0
CHA F:HEM156 3.5 32.5 1.0
CHC F:HEM156 3.5 26.2 1.0
C2D F:HEM156 4.2 26.2 1.0
C3D F:HEM156 4.2 30.1 1.0
ND1 F:HIS92 4.2 27.5 1.0
C2B F:HEM156 4.2 22.6 1.0
C3B F:HEM156 4.3 23.9 1.0
NE2 F:HIS63 4.3 18.7 1.0
C3A F:HEM156 4.3 36.4 1.0
C3C F:HEM156 4.4 26.9 1.0
C2C F:HEM156 4.4 27.6 1.0
CG2 F:VAL67 4.4 20.8 1.0
C2A F:HEM156 4.4 35.8 1.0
CG F:HIS92 4.5 32.0 1.0
CE1 F:HIS63 4.6 15.8 1.0

Iron binding site 7 out of 8 in 1hv4

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Iron binding site 7 out of 8 in the Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe157

b:15.6
occ:1.00
FE G:HEM157 0.0 15.6 1.0
NA G:HEM157 1.9 17.2 1.0
ND G:HEM157 1.9 17.9 1.0
NC G:HEM157 2.0 14.4 1.0
NB G:HEM157 2.1 11.6 1.0
NE2 G:HIS87 2.3 9.6 1.0
C1D G:HEM157 2.9 15.3 1.0
C4C G:HEM157 3.0 10.2 1.0
C4A G:HEM157 3.0 17.2 1.0
C1A G:HEM157 3.0 18.5 1.0
C4D G:HEM157 3.0 22.2 1.0
C1B G:HEM157 3.1 7.3 1.0
C1C G:HEM157 3.1 4.3 1.0
C4B G:HEM157 3.1 13.4 1.0
CE1 G:HIS87 3.3 12.8 1.0
CD2 G:HIS87 3.3 13.6 1.0
CHD G:HEM157 3.3 10.4 1.0
CHB G:HEM157 3.4 16.9 1.0
CHA G:HEM157 3.5 16.2 1.0
CHC G:HEM157 3.5 8.0 1.0
C2D G:HEM157 4.2 19.4 1.0
C3C G:HEM157 4.2 8.1 1.0
C3A G:HEM157 4.2 21.3 1.0
C2A G:HEM157 4.2 25.6 1.0
C3D G:HEM157 4.2 20.9 1.0
C2C G:HEM157 4.3 6.7 1.0
C2B G:HEM157 4.3 7.8 1.0
NE2 G:HIS58 4.3 34.6 1.0
C3B G:HEM157 4.3 13.4 1.0
ND1 G:HIS87 4.4 12.4 1.0
CG G:HIS87 4.4 17.8 1.0
CE1 G:HIS58 4.8 35.3 1.0

Iron binding site 8 out of 8 in 1hv4

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Iron binding site 8 out of 8 in the Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure Analysis of Bar-Head Goose Hemoglobin (Deoxy Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Fe158

b:34.5
occ:1.00
FE H:HEM158 0.0 34.5 1.0
ND H:HEM158 1.9 43.2 1.0
NB H:HEM158 2.0 40.4 1.0
NA H:HEM158 2.0 46.5 1.0
NC H:HEM158 2.2 40.3 1.0
NE2 H:HIS92 2.5 39.1 1.0
C1B H:HEM158 3.0 38.8 1.0
C4D H:HEM158 3.0 44.7 1.0
C4A H:HEM158 3.0 44.7 1.0
C1D H:HEM158 3.0 41.2 1.0
C4B H:HEM158 3.1 34.6 1.0
C1A H:HEM158 3.1 47.9 1.0
CE1 H:HIS92 3.2 38.4 1.0
C4C H:HEM158 3.2 35.9 1.0
C1C H:HEM158 3.2 38.9 1.0
CHB H:HEM158 3.4 43.3 1.0
CHA H:HEM158 3.4 45.1 1.0
CHD H:HEM158 3.5 39.5 1.0
CHC H:HEM158 3.6 36.1 1.0
CD2 H:HIS92 3.6 42.4 1.0
NE2 H:HIS63 4.1 34.0 1.0
CG2 H:VAL67 4.2 25.9 1.0
C3D H:HEM158 4.2 43.0 1.0
C2D H:HEM158 4.2 38.6 1.0
C2B H:HEM158 4.2 32.9 1.0
C3A H:HEM158 4.3 44.2 1.0
C3B H:HEM158 4.3 32.7 1.0
C2A H:HEM158 4.4 47.8 1.0
ND1 H:HIS92 4.4 39.4 1.0
C3C H:HEM158 4.4 35.1 1.0
C2C H:HEM158 4.4 36.9 1.0
CE1 H:HIS63 4.5 30.7 1.0
CG H:HIS92 4.6 39.7 1.0

Reference:

Y.Liang, Z.Hua, X.Liang, Q.Xu, G.Lu. The Crystal Structure of Bar-Headed Goose Hemoglobin in Deoxy Form: the Allosteric Mechanism of A Hemoglobin Species with High Oxygen Affinity. J.Mol.Biol. V. 313 123 2001.
ISSN: ISSN 0022-2836
PubMed: 11601851
DOI: 10.1006/JMBI.2001.5028
Page generated: Sun Dec 13 14:18:07 2020

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