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Iron in PDB 1mwd: Wild Type Deoxy Myoglobin

Protein crystallography data

The structure of Wild Type Deoxy Myoglobin, PDB code: 1mwd was solved by G.N.Murshudov, S.Krzywda, A.M.Brzozowski, M.Jaskolski, E.E.Scott, A.A.Klizas, Q.H.Gibson, J.S.Olson, A.J.Wilkinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.00 / 1.80
Space group I 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 122.120, 42.140, 91.490, 90.00, 92.85, 90.00
R / Rfree (%) 19.6 / 24.3

Iron Binding Sites:

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

Iron binding site 1 out of 2 in 1mwd

Go back to Iron Binding Sites List in 1mwd
Iron binding site 1 out of 2 in the Wild Type Deoxy Myoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Wild Type Deoxy Myoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe154

b:22.3
occ:1.00
FE A:HEM154 0.0 22.3 1.0
NC A:HEM154 2.0 18.1 1.0
NA A:HEM154 2.0 18.7 1.0
NB A:HEM154 2.0 18.7 1.0
ND A:HEM154 2.0 19.7 1.0
NE2 A:HIS93 2.3 23.1 1.0
C4B A:HEM154 3.0 14.3 1.0
C4C A:HEM154 3.0 22.9 1.0
C1C A:HEM154 3.0 20.1 1.0
C1D A:HEM154 3.0 23.6 1.0
C1B A:HEM154 3.0 19.4 1.0
C4A A:HEM154 3.1 20.5 1.0
C4D A:HEM154 3.1 19.4 1.0
C1A A:HEM154 3.1 21.0 1.0
CE1 A:HIS93 3.2 20.2 1.0
CD2 A:HIS93 3.2 22.6 1.0
CHD A:HEM154 3.4 22.4 1.0
CHC A:HEM154 3.4 16.6 1.0
CHB A:HEM154 3.5 19.1 1.0
CHA A:HEM154 3.5 22.3 1.0
C3C A:HEM154 4.2 25.9 1.0
C2C A:HEM154 4.2 22.3 1.0
C3B A:HEM154 4.2 15.8 1.0
C2B A:HEM154 4.3 15.0 1.0
C3D A:HEM154 4.3 23.0 1.0
C3A A:HEM154 4.3 23.3 1.0
C2A A:HEM154 4.3 22.1 1.0
C2D A:HEM154 4.3 23.8 1.0
NE2 A:HIS64 4.3 24.8 1.0
ND1 A:HIS93 4.3 22.8 1.0
CG A:HIS93 4.4 24.8 1.0
CG2 A:VAL68 4.4 16.6 1.0
CE1 A:HIS64 4.6 21.0 1.0
CD2 A:HIS97 4.9 27.6 1.0

Iron binding site 2 out of 2 in 1mwd

Go back to Iron Binding Sites List in 1mwd
Iron binding site 2 out of 2 in the Wild Type Deoxy Myoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Wild Type Deoxy Myoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe154

b:21.2
occ:1.00
FE B:HEM154 0.0 21.2 1.0
NA B:HEM154 1.9 15.7 1.0
NC B:HEM154 2.0 19.1 1.0
ND B:HEM154 2.1 17.7 1.0
NB B:HEM154 2.1 14.1 1.0
NE2 B:HIS93 2.3 18.4 1.0
C4A B:HEM154 3.0 16.9 1.0
C1A B:HEM154 3.0 22.2 1.0
C1B B:HEM154 3.0 15.0 1.0
C4D B:HEM154 3.0 17.7 1.0
C4B B:HEM154 3.1 14.8 1.0
C1D B:HEM154 3.1 20.9 1.0
C1C B:HEM154 3.1 20.4 1.0
C4C B:HEM154 3.1 17.6 1.0
CE1 B:HIS93 3.1 18.2 1.0
CD2 B:HIS93 3.3 21.1 1.0
CHB B:HEM154 3.4 14.8 1.0
CHA B:HEM154 3.4 20.8 1.0
CHC B:HEM154 3.5 16.7 1.0
CHD B:HEM154 3.5 18.2 1.0
C2A B:HEM154 4.2 22.9 1.0
C3A B:HEM154 4.2 20.5 1.0
C2B B:HEM154 4.3 13.0 1.0
C3D B:HEM154 4.3 22.2 1.0
C3B B:HEM154 4.3 14.4 1.0
NE2 B:HIS64 4.3 25.6 1.0
ND1 B:HIS93 4.3 20.2 1.0
C2C B:HEM154 4.3 23.8 1.0
C2D B:HEM154 4.3 22.5 1.0
C3C B:HEM154 4.3 24.5 1.0
CG2 B:VAL68 4.4 17.4 1.0
CG B:HIS93 4.4 20.6 1.0
CE1 B:HIS64 4.5 20.9 1.0
CD2 B:HIS97 4.9 24.0 1.0

Reference:

S.Krzywda, G.N.Murshudov, A.M.Brzozowski, M.Jaskolski, E.E.Scott, S.A.Klizas, Q.H.Gibson, J.S.Olson, A.J.Wilkinson. Stabilizing Bound O2 in Myoglobin By VALINE68 (E11) to Asparagine Substitution. Biochemistry V. 37 15896 1998.
ISSN: ISSN 0006-2960
PubMed: 9843395
DOI: 10.1021/BI9812470
Page generated: Sun Dec 13 14:24:33 2020

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