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Iron in PDB 1bz1: Hemoglobin (Alpha + Met) Variant

Protein crystallography data

The structure of Hemoglobin (Alpha + Met) Variant, PDB code: 1bz1 was solved by J.S.Kavanaugh, A.Arnone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.59
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 63.300, 83.600, 53.800, 90.00, 99.40, 90.00
R / Rfree (%) 17.2 / 22.6

Iron Binding Sites:

The binding sites of Iron atom in the Hemoglobin (Alpha + Met) Variant (pdb code 1bz1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Hemoglobin (Alpha + Met) Variant, PDB code: 1bz1:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1bz1

Go back to Iron Binding Sites List in 1bz1
Iron binding site 1 out of 4 in the Hemoglobin (Alpha + Met) Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hemoglobin (Alpha + Met) Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe143

b:13.8
occ:1.00
FE A:HEM143 0.0 13.8 1.0
ND A:HEM143 2.0 12.5 1.0
NA A:HEM143 2.1 13.3 1.0
NC A:HEM143 2.1 12.0 1.0
NB A:HEM143 2.1 12.1 1.0
NE2 A:HIS88 2.3 10.1 1.0
C1D A:HEM143 3.1 11.5 1.0
C4D A:HEM143 3.1 14.3 1.0
C4B A:HEM143 3.1 12.9 1.0
C1B A:HEM143 3.1 12.4 1.0
C1A A:HEM143 3.1 14.8 1.0
C4A A:HEM143 3.1 16.5 1.0
C4C A:HEM143 3.1 11.0 1.0
C1C A:HEM143 3.1 13.6 1.0
CE1 A:HIS88 3.1 7.7 1.0
CD2 A:HIS88 3.3 9.4 1.0
CHB A:HEM143 3.5 16.5 1.0
O A:HOH222 3.5 22.4 1.0
CHC A:HEM143 3.5 11.3 1.0
CHA A:HEM143 3.5 12.2 1.0
CHD A:HEM143 3.5 12.3 1.0
C3D A:HEM143 4.3 12.0 1.0
C2D A:HEM143 4.3 14.2 1.0
C3B A:HEM143 4.3 14.3 1.0
ND1 A:HIS88 4.3 12.2 1.0
C2A A:HEM143 4.3 16.0 1.0
C2B A:HEM143 4.3 12.3 1.0
C2C A:HEM143 4.3 11.3 1.0
C3C A:HEM143 4.3 12.6 1.0
C3A A:HEM143 4.3 15.6 1.0
CD1 A:LEU92 4.4 10.3 1.0
CG A:HIS88 4.4 10.5 1.0
NE2 A:HIS59 4.5 15.2 1.0
CE1 A:HIS59 4.6 21.8 1.0

Iron binding site 2 out of 4 in 1bz1

Go back to Iron Binding Sites List in 1bz1
Iron binding site 2 out of 4 in the Hemoglobin (Alpha + Met) Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hemoglobin (Alpha + Met) Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe147

b:12.8
occ:1.00
FE B:HEM147 0.0 12.8 1.0
NA B:HEM147 2.0 13.7 1.0
NC B:HEM147 2.0 12.8 1.0
ND B:HEM147 2.1 15.2 1.0
NB B:HEM147 2.1 9.6 1.0
NE2 B:HIS92 2.2 8.2 1.0
CE1 B:HIS92 3.1 10.0 1.0
C4A B:HEM147 3.1 12.1 1.0
C1A B:HEM147 3.1 17.2 1.0
C1D B:HEM147 3.1 13.0 1.0
C1B B:HEM147 3.1 11.3 1.0
C4C B:HEM147 3.1 10.5 1.0
C4D B:HEM147 3.1 12.9 1.0
C4B B:HEM147 3.1 11.3 1.0
C1C B:HEM147 3.1 13.1 1.0
CD2 B:HIS92 3.3 9.9 1.0
CHB B:HEM147 3.4 14.1 1.0
CHD B:HEM147 3.4 11.8 1.0
CHC B:HEM147 3.5 10.0 1.0
CHA B:HEM147 3.5 10.6 1.0
CG2 B:VAL67 4.1 10.9 1.0
NE2 B:HIS63 4.1 16.8 1.0
ND1 B:HIS92 4.2 10.1 1.0
C2A B:HEM147 4.3 16.7 1.0
C3D B:HEM147 4.3 10.9 1.0
C3A B:HEM147 4.3 13.3 1.0
C3B B:HEM147 4.3 11.5 1.0
C2D B:HEM147 4.3 10.5 1.0
C2C B:HEM147 4.3 11.6 1.0
C2B B:HEM147 4.3 9.4 1.0
C3C B:HEM147 4.3 11.2 1.0
CG B:HIS92 4.4 11.5 1.0
CE1 B:HIS63 4.4 17.9 1.0
CD1 B:LEU96 5.0 11.2 1.0

Iron binding site 3 out of 4 in 1bz1

Go back to Iron Binding Sites List in 1bz1
Iron binding site 3 out of 4 in the Hemoglobin (Alpha + Met) Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Hemoglobin (Alpha + Met) Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe143

b:13.0
occ:1.00
FE C:HEM143 0.0 13.0 1.0
NC C:HEM143 2.0 9.3 1.0
ND C:HEM143 2.1 9.0 1.0
NB C:HEM143 2.1 12.2 1.0
NA C:HEM143 2.1 13.4 1.0
NE2 C:HIS88 2.2 8.7 1.0
CE1 C:HIS88 3.0 7.3 1.0
C1D C:HEM143 3.1 9.8 1.0
C4B C:HEM143 3.1 11.7 1.0
C1A C:HEM143 3.1 12.0 1.0
C1C C:HEM143 3.1 10.5 1.0
C4D C:HEM143 3.1 8.4 1.0
C4C C:HEM143 3.1 9.8 1.0
C1B C:HEM143 3.1 14.7 1.0
C4A C:HEM143 3.1 12.9 1.0
CD2 C:HIS88 3.2 8.7 1.0
CHC C:HEM143 3.4 8.2 1.0
CHA C:HEM143 3.4 8.8 1.0
CHD C:HEM143 3.5 12.6 1.0
CHB C:HEM143 3.5 14.9 1.0
O C:HOH356 3.6 19.1 1.0
ND1 C:HIS88 4.2 11.4 1.0
C3D C:HEM143 4.3 10.8 1.0
C2D C:HEM143 4.3 15.2 1.0
C2A C:HEM143 4.3 12.0 1.0
C3B C:HEM143 4.3 12.1 1.0
C2C C:HEM143 4.3 11.3 1.0
C3C C:HEM143 4.3 9.8 1.0
C2B C:HEM143 4.3 13.6 1.0
C3A C:HEM143 4.3 14.2 1.0
CG C:HIS88 4.4 9.6 1.0
NE2 C:HIS59 4.4 14.5 1.0
CD1 C:LEU92 4.5 12.9 1.0
CE1 C:HIS59 4.6 15.8 1.0

Iron binding site 4 out of 4 in 1bz1

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Iron binding site 4 out of 4 in the Hemoglobin (Alpha + Met) Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Hemoglobin (Alpha + Met) Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe147

b:13.1
occ:1.00
FE D:HEM147 0.0 13.1 1.0
NA D:HEM147 2.0 14.1 1.0
ND D:HEM147 2.0 10.9 1.0
NC D:HEM147 2.1 12.3 1.0
NB D:HEM147 2.1 12.1 1.0
NE2 D:HIS92 2.2 10.3 1.0
C4B D:HEM147 3.1 12.3 1.0
C4D D:HEM147 3.1 11.2 1.0
C1D D:HEM147 3.1 14.6 1.0
C1A D:HEM147 3.1 15.7 1.0
C4A D:HEM147 3.1 15.4 1.0
C1B D:HEM147 3.1 12.8 1.0
C4C D:HEM147 3.1 10.8 1.0
CE1 D:HIS92 3.1 9.1 1.0
C1C D:HEM147 3.1 11.9 1.0
CD2 D:HIS92 3.2 9.8 1.0
CHA D:HEM147 3.4 11.4 1.0
CHC D:HEM147 3.5 9.5 1.0
CHD D:HEM147 3.5 12.5 1.0
CHB D:HEM147 3.5 9.7 1.0
ND1 D:HIS92 4.3 11.5 1.0
C3D D:HEM147 4.3 11.3 1.0
CG2 D:VAL67 4.3 15.4 1.0
C3B D:HEM147 4.3 14.1 1.0
C2B D:HEM147 4.3 11.8 1.0
C2A D:HEM147 4.3 17.7 1.0
C2D D:HEM147 4.3 15.7 1.0
C3A D:HEM147 4.3 15.2 1.0
CG D:HIS92 4.3 11.4 1.0
NE2 D:HIS63 4.3 20.9 1.0
C2C D:HEM147 4.3 13.1 1.0
C3C D:HEM147 4.3 12.2 1.0
CE1 D:HIS63 4.7 23.0 1.0
CD1 D:LEU96 4.9 9.9 1.0

Reference:

H.L.Hui, J.S.Kavanaugh, M.L.Doyle, A.Wierzba, P.H.Rogers, A.Arnone, J.M.Holt, G.K.Ackers, R.W.Noble. Structural and Functional Properties of Human Hemoglobins Reassembled After Synthesis in Escherichia Coli. Biochemistry V. 38 1040 1999.
ISSN: ISSN 0006-2960
PubMed: 9894000
DOI: 10.1021/BI981986G
Page generated: Sun Dec 13 14:08:16 2020

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