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Iron in PDB 3rj6: Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant

Protein crystallography data

The structure of Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant, PDB code: 3rj6 was solved by S.M.Smith, A.C.Rosenzweig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.78 / 1.23
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 28.341, 123.565, 34.986, 90.00, 89.73, 90.00
R / Rfree (%) 17.3 / 19.7

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant (pdb code 3rj6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant, PDB code: 3rj6:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3rj6

Go back to Iron Binding Sites List in 3rj6
Iron binding site 1 out of 2 in the Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe154

b:6.8
occ:1.00
FE A:HEM154 0.0 6.8 1.0
ND A:HEM154 2.0 7.2 1.0
NE2 A:HIS93 2.0 7.4 1.0
NB A:HEM154 2.0 6.4 1.0
O A:HOH198 2.0 8.0 1.0
NC A:HEM154 2.1 7.6 1.0
NA A:HEM154 2.1 7.5 1.0
CE1 A:HIS93 3.0 8.1 1.0
C4D A:HEM154 3.0 8.0 1.0
C1D A:HEM154 3.0 7.4 1.0
C1A A:HEM154 3.0 7.4 1.0
C4B A:HEM154 3.0 6.8 1.0
C1C A:HEM154 3.0 6.7 1.0
C1B A:HEM154 3.1 6.6 1.0
CD2 A:HIS93 3.1 7.7 1.0
C4A A:HEM154 3.1 7.1 1.0
C4C A:HEM154 3.1 6.6 1.0
CHA A:HEM154 3.4 7.4 1.0
CHD A:HEM154 3.4 6.9 1.0
CHC A:HEM154 3.4 6.9 1.0
CHB A:HEM154 3.5 7.2 1.0
ND1 A:HIS93 4.2 8.3 1.0
CG A:HIS93 4.2 7.8 1.0
C2A A:HEM154 4.3 7.6 1.0
C2D A:HEM154 4.3 8.5 1.0
C3C A:HEM154 4.3 7.3 1.0
C3D A:HEM154 4.3 8.0 1.0
C2C A:HEM154 4.3 7.4 1.0
C3A A:HEM154 4.3 7.6 1.0
C3B A:HEM154 4.3 7.4 1.0
NE2 A:HIS64 4.3 7.5 1.0
C2B A:HEM154 4.3 6.3 1.0
CG2 A:VAL68 4.7 7.7 1.0
CE1 A:HIS64 4.8 7.2 1.0
CZ A:PHE43 4.9 9.3 1.0

Iron binding site 2 out of 2 in 3rj6

Go back to Iron Binding Sites List in 3rj6
Iron binding site 2 out of 2 in the Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe154

b:5.9
occ:1.00
FE B:HEM154 0.0 5.9 1.0
NE2 B:HIS93 2.0 5.9 1.0
NA B:HEM154 2.0 5.7 1.0
NC B:HEM154 2.0 6.2 1.0
O B:HOH181 2.0 7.0 1.0
ND B:HEM154 2.0 6.9 1.0
NB B:HEM154 2.1 5.8 1.0
CE1 B:HIS93 3.0 6.8 1.0
C4D B:HEM154 3.0 6.9 1.0
C4A B:HEM154 3.0 5.6 1.0
C1C B:HEM154 3.0 5.5 1.0
C1A B:HEM154 3.0 6.1 1.0
CD2 B:HIS93 3.0 6.0 1.0
C4C B:HEM154 3.0 5.7 1.0
C1D B:HEM154 3.1 7.0 1.0
C1B B:HEM154 3.1 5.8 1.0
C4B B:HEM154 3.1 6.0 1.0
CHA B:HEM154 3.4 6.3 1.0
CHD B:HEM154 3.4 6.0 1.0
CHB B:HEM154 3.4 6.3 1.0
CHC B:HEM154 3.4 6.1 1.0
ND1 B:HIS93 4.2 7.5 1.0
CG B:HIS93 4.2 6.4 1.0
C2A B:HEM154 4.2 5.7 1.0
C3C B:HEM154 4.3 6.0 1.0
C3D B:HEM154 4.3 7.4 1.0
C3A B:HEM154 4.3 6.1 1.0
NE2 B:HIS64 4.3 7.2 1.0
C2D B:HEM154 4.3 6.8 1.0
C2C B:HEM154 4.3 6.4 1.0
C3B B:HEM154 4.3 6.5 1.0
C2B B:HEM154 4.3 6.3 1.0
CG2 B:VAL68 4.7 6.8 1.0
CE1 B:HIS64 4.8 7.0 1.0
CZ B:PHE43 4.9 9.7 1.0

Reference:

A.K.Knutson, S.M.Smith, A.C.Rosenzweig, B.M.Hoffman. Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant To Be Published.
Page generated: Sun Dec 13 15:20:12 2020

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