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Iron in PDB 1bin: Leghemoglobin A (Acetomet)

Protein crystallography data

The structure of Leghemoglobin A (Acetomet), PDB code: 1bin was solved by E.A.Brucker, M.S.Hargrove, G.N.Phillips Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 34.980, 53.390, 141.730, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 29.7

Iron Binding Sites:

The binding sites of Iron atom in the Leghemoglobin A (Acetomet) (pdb code 1bin). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Leghemoglobin A (Acetomet), PDB code: 1bin:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1bin

Go back to Iron Binding Sites List in 1bin
Iron binding site 1 out of 2 in the Leghemoglobin A (Acetomet)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Leghemoglobin A (Acetomet) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe144

b:12.6
occ:1.00
FE A:HEM144 0.0 12.6 1.0
NB A:HEM144 1.9 12.0 1.0
NA A:HEM144 2.0 13.7 1.0
NC A:HEM144 2.0 12.7 1.0
ND A:HEM144 2.1 14.0 1.0
O A:ACT145 2.2 10.3 1.0
NE2 A:HIS92 2.4 16.0 1.0
C4B A:HEM144 3.0 12.1 1.0
C4C A:HEM144 3.0 13.3 1.0
C1B A:HEM144 3.0 12.0 1.0
C1A A:HEM144 3.0 13.8 1.0
C4A A:HEM144 3.0 13.5 1.0
C1C A:HEM144 3.1 12.5 1.0
C1D A:HEM144 3.1 14.4 1.0
C4D A:HEM144 3.1 14.3 1.0
C A:ACT145 3.2 9.9 1.0
CD2 A:HIS92 3.3 16.4 1.0
CE1 A:HIS92 3.3 16.1 1.0
CHD A:HEM144 3.3 13.9 1.0
CHB A:HEM144 3.4 12.5 1.0
CHC A:HEM144 3.4 12.2 1.0
CHA A:HEM144 3.4 14.1 1.0
CH3 A:ACT145 3.7 9.7 1.0
C2A A:HEM144 4.2 13.9 1.0
C2B A:HEM144 4.2 12.0 1.0
C3A A:HEM144 4.2 13.9 1.0
C3B A:HEM144 4.2 12.1 1.0
OXT A:ACT145 4.3 9.6 1.0
C3C A:HEM144 4.3 12.7 1.0
C2C A:HEM144 4.3 12.3 1.0
C2D A:HEM144 4.4 14.7 1.0
C3D A:HEM144 4.4 15.2 1.0
ND1 A:HIS92 4.4 16.5 1.0
CG A:HIS92 4.5 16.8 1.0
NE2 A:HIS61 4.6 11.4 1.0
CD1 A:LEU65 4.8 4.4 1.0
CE1 A:HIS61 4.9 11.4 1.0
CE2 A:PHE44 5.0 24.7 1.0

Iron binding site 2 out of 2 in 1bin

Go back to Iron Binding Sites List in 1bin
Iron binding site 2 out of 2 in the Leghemoglobin A (Acetomet)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Leghemoglobin A (Acetomet) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe144

b:8.3
occ:1.00
FE B:HEM144 0.0 8.3 1.0
O B:ACT145 1.9 6.8 1.0
NC B:HEM144 2.0 8.3 1.0
ND B:HEM144 2.0 9.0 1.0
NA B:HEM144 2.0 9.7 1.0
NB B:HEM144 2.1 7.8 1.0
NE2 B:HIS92 2.2 7.7 1.0
C1C B:HEM144 3.0 8.0 1.0
C4B B:HEM144 3.0 8.0 1.0
C1A B:HEM144 3.0 10.2 1.0
C4D B:HEM144 3.0 9.7 1.0
C1D B:HEM144 3.0 9.2 1.0
C4C B:HEM144 3.1 8.8 1.0
C B:ACT145 3.1 6.7 1.0
CE1 B:HIS92 3.1 7.4 1.0
C4A B:HEM144 3.1 9.7 1.0
C1B B:HEM144 3.2 8.1 1.0
CD2 B:HIS92 3.2 7.4 1.0
CHC B:HEM144 3.2 7.8 1.0
CHA B:HEM144 3.4 9.9 1.0
CHD B:HEM144 3.4 8.8 1.0
CHB B:HEM144 3.6 9.1 1.0
CH3 B:ACT145 3.8 6.7 1.0
OXT B:ACT145 4.1 7.3 1.0
C2A B:HEM144 4.2 10.9 1.0
ND1 B:HIS92 4.3 7.4 1.0
C2D B:HEM144 4.3 9.7 1.0
C3A B:HEM144 4.3 10.4 1.0
C2C B:HEM144 4.3 8.3 1.0
C3B B:HEM144 4.3 7.4 1.0
CG B:HIS92 4.3 8.4 1.0
C3D B:HEM144 4.4 10.0 1.0
C3C B:HEM144 4.4 8.5 1.0
C2B B:HEM144 4.4 8.0 1.0
NE2 B:HIS61 4.5 12.2 1.0
CD1 B:LEU65 4.8 6.9 1.0
CE1 B:PHE44 5.0 16.7 1.0

Reference:

M.S.Hargrove, J.K.Barry, E.A.Brucker, M.B.Berry, G.N.Phillips Jr., J.S.Olson, R.Arredondo-Peter, J.M.Dean, R.V.Klucas, G.Sarath. Characterization of Recombinant Soybean Leghemoglobin A and Apolar Distal Histidine Mutants. J.Mol.Biol. V. 266 1032 1997.
ISSN: ISSN 0022-2836
PubMed: 9086279
DOI: 10.1006/JMBI.1996.0833
Page generated: Sun Dec 13 14:07:55 2020

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