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Iron in PDB 1gbv: (Alpha-Oxy, Beta-(C112G)Deoxy) T-State Human Hemoglobin

Protein crystallography data

The structure of (Alpha-Oxy, Beta-(C112G)Deoxy) T-State Human Hemoglobin, PDB code: 1gbv was solved by G.B.Vasquez, X.Ji, I.Pechik, C.Fronticelli, G.L.Gilliland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 63.180, 83.560, 53.730, 90.00, 99.60, 90.00
R / Rfree (%) n/a / n/a

Iron Binding Sites:

The binding sites of Iron atom in the (Alpha-Oxy, Beta-(C112G)Deoxy) T-State Human Hemoglobin (pdb code 1gbv). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the (Alpha-Oxy, Beta-(C112G)Deoxy) T-State Human Hemoglobin, PDB code: 1gbv:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1gbv

Go back to Iron Binding Sites List in 1gbv
Iron binding site 1 out of 4 in the (Alpha-Oxy, Beta-(C112G)Deoxy) T-State Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of (Alpha-Oxy, Beta-(C112G)Deoxy) T-State Human Hemoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe142

b:16.9
occ:1.00
FE A:HEM142 0.0 16.9 1.0
NE2 A:HIS87 1.9 8.0 1.0
O1 A:OXY143 1.9 16.9 1.0
NA A:HEM142 2.0 17.8 1.0
ND A:HEM142 2.0 16.6 1.0
NB A:HEM142 2.0 16.0 1.0
NC A:HEM142 2.1 16.2 1.0
O2 A:OXY143 2.6 18.0 1.0
CE1 A:HIS87 2.9 7.7 1.0
CD2 A:HIS87 3.0 7.9 1.0
C1A A:HEM142 3.0 18.3 1.0
C4D A:HEM142 3.0 16.7 1.0
C4A A:HEM142 3.1 18.3 1.0
C4B A:HEM142 3.1 16.5 1.0
C1B A:HEM142 3.1 16.9 1.0
C1D A:HEM142 3.1 16.1 1.0
C1C A:HEM142 3.1 15.5 1.0
C4C A:HEM142 3.1 16.0 1.0
CHA A:HEM142 3.3 17.1 1.0
CHC A:HEM142 3.4 15.9 1.0
CHB A:HEM142 3.5 17.5 1.0
CHD A:HEM142 3.5 16.1 1.0
ND1 A:HIS87 4.0 8.3 1.0
CG A:HIS87 4.1 9.1 1.0
C2A A:HEM142 4.2 19.2 1.0
C3D A:HEM142 4.2 17.5 1.0
C3A A:HEM142 4.3 18.6 1.0
C3B A:HEM142 4.3 16.5 1.0
C2C A:HEM142 4.3 15.7 1.0
C2D A:HEM142 4.3 16.4 1.0
C2B A:HEM142 4.3 16.2 1.0
C3C A:HEM142 4.3 15.8 1.0
NE2 A:HIS58 4.5 15.6 1.0
CE1 A:HIS58 4.5 17.6 1.0
CD1 A:LEU91 4.6 11.2 1.0

Iron binding site 2 out of 4 in 1gbv

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Iron binding site 2 out of 4 in the (Alpha-Oxy, Beta-(C112G)Deoxy) T-State Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of (Alpha-Oxy, Beta-(C112G)Deoxy) T-State Human Hemoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe147

b:17.6
occ:1.00
FE B:HEM147 0.0 17.6 1.0
NC B:HEM147 2.0 16.9 1.0
NA B:HEM147 2.0 18.1 1.0
ND B:HEM147 2.1 17.5 1.0
NB B:HEM147 2.1 16.7 1.0
NE2 B:HIS92 2.2 6.7 1.0
C4C B:HEM147 3.0 17.9 1.0
C1C B:HEM147 3.0 17.5 1.0
C4B B:HEM147 3.0 16.4 1.0
C1D B:HEM147 3.1 17.1 1.0
C4D B:HEM147 3.1 17.8 1.0
C1A B:HEM147 3.1 19.2 1.0
C4A B:HEM147 3.1 18.9 1.0
C1B B:HEM147 3.1 16.4 1.0
CD2 B:HIS92 3.1 5.4 1.0
CE1 B:HIS92 3.3 6.8 1.0
CHC B:HEM147 3.4 16.1 1.0
CHD B:HEM147 3.4 17.3 1.0
CHA B:HEM147 3.5 18.3 1.0
CHB B:HEM147 3.5 17.3 1.0
CG2 B:VAL67 4.1 18.7 1.0
NE2 B:HIS63 4.2 17.4 1.0
C2C B:HEM147 4.2 17.9 1.0
C3C B:HEM147 4.3 17.5 1.0
C3B B:HEM147 4.3 17.0 1.0
CG B:HIS92 4.3 7.9 1.0
C2A B:HEM147 4.3 20.0 1.0
C3D B:HEM147 4.3 17.9 1.0
C2D B:HEM147 4.3 17.1 1.0
C2B B:HEM147 4.3 16.3 1.0
C3A B:HEM147 4.3 19.0 1.0
ND1 B:HIS92 4.4 6.6 1.0
CE1 B:HIS63 4.5 16.9 1.0

Iron binding site 3 out of 4 in 1gbv

Go back to Iron Binding Sites List in 1gbv
Iron binding site 3 out of 4 in the (Alpha-Oxy, Beta-(C112G)Deoxy) T-State Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of (Alpha-Oxy, Beta-(C112G)Deoxy) T-State Human Hemoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe142

b:13.6
occ:1.00
FE C:HEM142 0.0 13.6 1.0
O1 C:OXY143 2.0 17.9 0.7
NC C:HEM142 2.0 12.8 1.0
NA C:HEM142 2.0 13.8 1.0
NB C:HEM142 2.0 13.3 1.0
ND C:HEM142 2.1 14.4 1.0
NE2 C:HIS87 2.1 9.7 1.0
O2 C:OXY143 2.8 17.9 0.7
CD2 C:HIS87 3.0 9.0 1.0
C1A C:HEM142 3.0 13.6 1.0
C1C C:HEM142 3.0 12.4 1.0
C4B C:HEM142 3.0 11.6 1.0
C4D C:HEM142 3.1 13.8 1.0
C4A C:HEM142 3.1 13.5 1.0
C4C C:HEM142 3.1 12.7 1.0
C1B C:HEM142 3.1 12.9 1.0
C1D C:HEM142 3.1 13.9 1.0
CE1 C:HIS87 3.2 8.0 1.0
CHC C:HEM142 3.3 11.4 1.0
CHA C:HEM142 3.3 13.7 1.0
CHB C:HEM142 3.5 13.2 1.0
CHD C:HEM142 3.5 13.5 1.0
CG C:HIS87 4.2 9.0 1.0
ND1 C:HIS87 4.2 9.9 1.0
C2A C:HEM142 4.2 14.5 1.0
C2C C:HEM142 4.2 12.2 1.0
C3B C:HEM142 4.3 11.9 1.0
C3C C:HEM142 4.3 12.0 1.0
C3D C:HEM142 4.3 14.8 1.0
C3A C:HEM142 4.3 13.0 1.0
C2B C:HEM142 4.3 12.2 1.0
C2D C:HEM142 4.3 14.0 1.0
NE2 C:HIS58 4.4 16.8 1.0
CE1 C:HIS58 4.6 16.0 1.0
CD1 C:LEU91 4.7 13.4 1.0

Iron binding site 4 out of 4 in 1gbv

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Iron binding site 4 out of 4 in the (Alpha-Oxy, Beta-(C112G)Deoxy) T-State Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of (Alpha-Oxy, Beta-(C112G)Deoxy) T-State Human Hemoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe147

b:18.9
occ:1.00
FE D:HEM147 0.0 18.9 1.0
NC D:HEM147 2.0 18.2 1.0
NA D:HEM147 2.0 19.6 1.0
ND D:HEM147 2.0 19.8 1.0
NB D:HEM147 2.1 19.0 1.0
NE2 D:HIS92 2.1 9.4 1.0
C1C D:HEM147 3.0 18.8 1.0
CD2 D:HIS92 3.0 7.8 1.0
C4D D:HEM147 3.0 20.3 1.0
C4C D:HEM147 3.0 18.8 1.0
C4B D:HEM147 3.1 18.4 1.0
C1A D:HEM147 3.1 20.8 1.0
C4A D:HEM147 3.1 20.9 1.0
C1D D:HEM147 3.1 20.1 1.0
C1B D:HEM147 3.1 19.1 1.0
CE1 D:HIS92 3.2 10.0 1.0
CHC D:HEM147 3.4 18.0 1.0
CHA D:HEM147 3.4 20.1 1.0
CHD D:HEM147 3.5 19.4 1.0
CHB D:HEM147 3.5 19.6 1.0
NE2 D:HIS63 4.1 22.4 1.0
CG D:HIS92 4.2 9.3 1.0
C2C D:HEM147 4.2 18.6 1.0
C3C D:HEM147 4.2 18.5 1.0
ND1 D:HIS92 4.3 10.5 1.0
C3B D:HEM147 4.3 19.0 1.0
C3D D:HEM147 4.3 21.6 1.0
C2A D:HEM147 4.3 21.7 1.0
C3A D:HEM147 4.3 21.4 1.0
C2B D:HEM147 4.3 18.8 1.0
C2D D:HEM147 4.3 20.6 1.0
CE1 D:HIS63 4.6 22.1 1.0
CG2 D:VAL67 4.7 24.2 1.0

Reference:

G.B.Vasquez, M.Karavitis, X.Ji, I.Pechik, W.S.Brinigar, G.L.Gilliland, C.Fronticelli. Cysteines BETA93 and BETA112 As Probes of Conformational and Functional Events at the Human Hemoglobin Subunit Interfaces. Biophys.J. V. 76 88 1999.
ISSN: ISSN 0006-3495
PubMed: 9876125
Page generated: Sat Aug 3 05:50:53 2024

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