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Iron in PDB 3uhw: Hbi (N79A) Deoxy

Protein crystallography data

The structure of Hbi (N79A) Deoxy, PDB code: 3uhw was solved by Z.Ren, V.Srajer, J.E.Knapp, W.E.Royer Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.76 / 2.05
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 91.850, 44.470, 143.900, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 21.2

Iron Binding Sites:

The binding sites of Iron atom in the Hbi (N79A) Deoxy (pdb code 3uhw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Hbi (N79A) Deoxy, PDB code: 3uhw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3uhw

Go back to Iron Binding Sites List in 3uhw
Iron binding site 1 out of 2 in the Hbi (N79A) Deoxy


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hbi (N79A) Deoxy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe147

b:20.0
occ:1.00
FE A:HEM147 0.0 20.0 1.0
NC A:HEM147 2.0 17.6 1.0
NA A:HEM147 2.0 20.5 1.0
ND A:HEM147 2.0 20.9 1.0
NB A:HEM147 2.0 16.4 1.0
NE2 A:HIS101 2.0 20.6 1.0
CE1 A:HIS101 3.0 19.4 1.0
C4C A:HEM147 3.0 19.3 1.0
C4A A:HEM147 3.0 16.6 1.0
C1C A:HEM147 3.0 17.5 1.0
C1D A:HEM147 3.0 18.2 1.0
C1B A:HEM147 3.0 18.5 1.0
C1A A:HEM147 3.1 16.8 1.0
C4B A:HEM147 3.1 14.0 1.0
C4D A:HEM147 3.1 19.8 1.0
CD2 A:HIS101 3.1 21.0 1.0
CHD A:HEM147 3.4 19.9 1.0
CHB A:HEM147 3.4 16.3 1.0
CHC A:HEM147 3.4 15.3 1.0
CHA A:HEM147 3.5 18.6 1.0
O A:HOH159 3.6 27.2 1.0
ND1 A:HIS101 4.1 20.0 1.0
CG A:HIS101 4.2 18.6 1.0
C3A A:HEM147 4.3 17.0 1.0
C2B A:HEM147 4.3 17.1 1.0
C2C A:HEM147 4.3 17.0 1.0
C2A A:HEM147 4.3 18.7 1.0
C2D A:HEM147 4.3 20.6 1.0
C3C A:HEM147 4.3 18.7 1.0
C3B A:HEM147 4.3 11.4 1.0
C3D A:HEM147 4.3 20.6 1.0
CE1 A:HIS69 4.6 13.7 1.0
CZ A:PHE97 4.8 20.3 1.0

Iron binding site 2 out of 2 in 3uhw

Go back to Iron Binding Sites List in 3uhw
Iron binding site 2 out of 2 in the Hbi (N79A) Deoxy


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hbi (N79A) Deoxy within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe147

b:18.4
occ:1.00
FE B:HEM147 0.0 18.4 1.0
NC B:HEM147 2.0 16.8 1.0
ND B:HEM147 2.0 16.4 1.0
NA B:HEM147 2.0 14.8 1.0
NB B:HEM147 2.0 16.9 1.0
NE2 B:HIS101 2.0 16.4 1.0
CE1 B:HIS101 3.0 21.7 1.0
C1D B:HEM147 3.0 18.0 1.0
C4C B:HEM147 3.0 17.6 1.0
C1C B:HEM147 3.0 15.9 1.0
C1A B:HEM147 3.0 16.9 1.0
C4D B:HEM147 3.1 20.6 1.0
C4A B:HEM147 3.1 16.8 1.0
C1B B:HEM147 3.1 16.8 1.0
C4B B:HEM147 3.1 16.6 1.0
CD2 B:HIS101 3.1 17.6 1.0
CHD B:HEM147 3.4 16.3 1.0
CHC B:HEM147 3.5 15.4 1.0
CHA B:HEM147 3.5 17.2 1.0
CHB B:HEM147 3.5 14.7 1.0
O B:HOH155 3.5 24.7 1.0
ND1 B:HIS101 4.2 16.5 1.0
CG B:HIS101 4.2 18.2 1.0
C2D B:HEM147 4.3 20.8 1.0
C2C B:HEM147 4.3 18.3 1.0
C3C B:HEM147 4.3 18.2 1.0
C3D B:HEM147 4.3 21.2 1.0
C2A B:HEM147 4.3 17.0 1.0
C3A B:HEM147 4.3 17.9 1.0
C2B B:HEM147 4.3 17.3 1.0
C3B B:HEM147 4.3 17.8 1.0
CE1 B:HIS69 4.5 14.3 1.0
CZ B:PHE97 4.8 16.5 1.0
NE2 B:HIS69 4.9 12.6 1.0

Reference:

Z.Ren, V.Srajer, J.E.Knapp, W.E.Royer. Cooperative Macromolecular Device Revealed By Meta-Analysis of Static and Time-Resolved Structures. Proc.Natl.Acad.Sci.Usa V. 109 107 2012.
ISSN: ISSN 0027-8424
PubMed: 22171006
DOI: 10.1073/PNAS.1109213108
Page generated: Sun Dec 13 15:23:27 2020

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