Atomistry » Iron » PDB 2rfc-2v1i » 2ri4
Atomistry »
  Iron »
    PDB 2rfc-2v1i »
      2ri4 »

Iron in PDB 2ri4: Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom

Protein crystallography data

The structure of Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom, PDB code: 2ri4 was solved by P.Sathya Moorthy, K.Neelagandan, M.Balasubramanian, M.N.Ponnuswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.50 / 2.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 52.692, 68.325, 95.597, 110.64, 91.90, 108.94
R / Rfree (%) 22.5 / 30.8

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom (pdb code 2ri4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom, PDB code: 2ri4:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 2ri4

Go back to Iron Binding Sites List in 2ri4
Iron binding site 1 out of 8 in the Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe142

b:32.4
occ:1.00
FE A:HEM142 0.0 32.4 1.0
ND A:HEM142 2.0 33.5 1.0
NC A:HEM142 2.0 32.0 1.0
NE2 A:HIS87 2.0 28.6 1.0
NA A:HEM142 2.1 34.7 1.0
NB A:HEM142 2.2 31.5 1.0
CE1 A:HIS87 2.9 30.1 1.0
C4C A:HEM142 2.9 30.0 1.0
C4D A:HEM142 3.0 35.6 1.0
C1D A:HEM142 3.0 32.2 1.0
C1A A:HEM142 3.0 34.7 1.0
C1C A:HEM142 3.1 29.2 1.0
C4A A:HEM142 3.1 33.7 1.0
C1B A:HEM142 3.2 29.8 1.0
CD2 A:HIS87 3.2 32.3 1.0
C4B A:HEM142 3.2 30.7 1.0
CHD A:HEM142 3.3 31.0 1.0
CHA A:HEM142 3.3 35.0 1.0
CHB A:HEM142 3.5 31.8 1.0
CHC A:HEM142 3.6 28.1 1.0
ND1 A:HIS87 4.0 30.5 1.0
C3C A:HEM142 4.2 28.3 1.0
C3D A:HEM142 4.2 35.6 1.0
C2D A:HEM142 4.2 33.5 1.0
CG A:HIS87 4.2 33.8 1.0
C2C A:HEM142 4.2 28.1 1.0
C2A A:HEM142 4.3 36.7 1.0
C3A A:HEM142 4.3 35.6 1.0
NE2 A:HIS58 4.3 30.0 1.0
C2B A:HEM142 4.4 29.6 1.0
C3B A:HEM142 4.4 28.8 1.0
CG2 A:VAL62 4.4 44.3 1.0
CE1 A:HIS58 4.6 30.8 1.0

Iron binding site 2 out of 8 in 2ri4

Go back to Iron Binding Sites List in 2ri4
Iron binding site 2 out of 8 in the Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe147

b:54.1
occ:1.00
FE B:HEM147 0.0 54.1 1.0
NC B:HEM147 2.0 51.4 1.0
ND B:HEM147 2.0 51.7 1.0
NB B:HEM147 2.1 53.6 1.0
NE2 B:HIS92 2.2 52.8 1.0
NA B:HEM147 2.2 53.1 1.0
C4C B:HEM147 2.9 50.7 1.0
C1C B:HEM147 3.0 51.5 1.0
C1D B:HEM147 3.0 51.4 1.0
C4D B:HEM147 3.1 52.2 1.0
C4B B:HEM147 3.1 54.2 1.0
CE1 B:HIS92 3.1 53.3 1.0
C1A B:HEM147 3.1 53.1 1.0
CD2 B:HIS92 3.1 54.3 1.0
C1B B:HEM147 3.2 53.7 1.0
C4A B:HEM147 3.2 53.0 1.0
CHD B:HEM147 3.3 51.0 1.0
CHC B:HEM147 3.4 53.1 1.0
CHA B:HEM147 3.4 53.1 1.0
CHB B:HEM147 3.6 52.6 1.0
NE2 B:HIS63 3.7 45.7 1.0
C3C B:HEM147 4.1 51.0 1.0
C2C B:HEM147 4.1 50.7 1.0
ND1 B:HIS92 4.2 52.8 1.0
C2D B:HEM147 4.3 51.7 1.0
C3D B:HEM147 4.3 51.8 1.0
CG B:HIS92 4.3 54.3 1.0
C3B B:HEM147 4.3 54.9 1.0
C2B B:HEM147 4.4 54.8 1.0
C2A B:HEM147 4.4 53.1 1.0
C3A B:HEM147 4.4 52.1 1.0
CE1 B:HIS63 4.5 43.4 1.0
CG2 B:VAL67 4.5 51.8 1.0
CD2 B:HIS63 4.7 44.6 1.0

Iron binding site 3 out of 8 in 2ri4

Go back to Iron Binding Sites List in 2ri4
Iron binding site 3 out of 8 in the Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe142

b:33.3
occ:1.00
FE C:HEM142 0.0 33.3 1.0
NC C:HEM142 2.0 32.2 1.0
NE2 C:HIS87 2.0 30.6 1.0
O C:HOH145 2.0 25.6 1.0
ND C:HEM142 2.0 32.4 1.0
NA C:HEM142 2.0 31.9 1.0
NB C:HEM142 2.1 29.7 1.0
C4C C:HEM142 2.9 33.1 1.0
CE1 C:HIS87 2.9 30.2 1.0
C1D C:HEM142 2.9 33.9 1.0
CD2 C:HIS87 3.0 29.9 1.0
C4A C:HEM142 3.0 32.2 1.0
C1A C:HEM142 3.1 33.3 1.0
C1C C:HEM142 3.1 32.0 1.0
C4D C:HEM142 3.1 35.5 1.0
C1B C:HEM142 3.1 29.1 1.0
C4B C:HEM142 3.2 30.3 1.0
CHD C:HEM142 3.2 35.1 1.0
CHA C:HEM142 3.4 35.2 1.0
CHB C:HEM142 3.4 31.2 1.0
CHC C:HEM142 3.5 31.6 1.0
ND1 C:HIS87 4.0 30.2 1.0
CG C:HIS87 4.1 32.3 1.0
C3C C:HEM142 4.1 32.7 1.0
C2C C:HEM142 4.2 31.5 1.0
C2D C:HEM142 4.2 35.0 1.0
C3A C:HEM142 4.2 33.6 1.0
C2A C:HEM142 4.3 34.7 1.0
C3D C:HEM142 4.3 35.9 1.0
C2B C:HEM142 4.3 27.5 1.0
NE2 C:HIS58 4.4 26.4 1.0
C3B C:HEM142 4.4 27.7 1.0
CE1 C:HIS58 4.9 24.3 1.0
CG2 C:VAL62 4.9 29.1 1.0

Iron binding site 4 out of 8 in 2ri4

Go back to Iron Binding Sites List in 2ri4
Iron binding site 4 out of 8 in the Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe147

b:36.4
occ:1.00
FE D:HEM147 0.0 36.4 1.0
O D:HOH149 2.0 3.3 1.0
NE2 D:HIS92 2.0 47.5 1.0
ND D:HEM147 2.0 37.0 1.0
NB D:HEM147 2.0 36.1 1.0
NC D:HEM147 2.2 39.4 1.0
NA D:HEM147 2.2 39.0 1.0
CD2 D:HIS92 3.0 48.7 1.0
C4B D:HEM147 3.0 37.8 1.0
C4D D:HEM147 3.0 38.4 1.0
CE1 D:HIS92 3.0 48.7 1.0
C1D D:HEM147 3.1 37.1 1.0
C1B D:HEM147 3.1 37.2 1.0
C1C D:HEM147 3.1 36.7 1.0
C1A D:HEM147 3.2 37.8 1.0
C4C D:HEM147 3.2 38.1 1.0
C4A D:HEM147 3.3 38.7 1.0
CHC D:HEM147 3.4 36.0 1.0
CHA D:HEM147 3.4 38.0 1.0
CHD D:HEM147 3.5 37.3 1.0
CHB D:HEM147 3.6 38.1 1.0
ND1 D:HIS92 4.1 47.5 1.0
CG D:HIS92 4.1 48.5 1.0
C3B D:HEM147 4.2 38.4 1.0
C3D D:HEM147 4.3 37.3 1.0
C2B D:HEM147 4.3 39.1 1.0
C2D D:HEM147 4.3 38.3 1.0
C2C D:HEM147 4.3 37.4 1.0
C3C D:HEM147 4.4 37.9 1.0
C2A D:HEM147 4.4 38.7 1.0
C3A D:HEM147 4.5 38.2 1.0
NE2 D:HIS63 4.6 38.9 1.0

Iron binding site 5 out of 8 in 2ri4

Go back to Iron Binding Sites List in 2ri4
Iron binding site 5 out of 8 in the Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Fe142

b:29.3
occ:1.00
FE I:HEM142 0.0 29.3 1.0
O I:HOH145 1.6 12.5 1.0
NB I:HEM142 2.0 28.8 1.0
NC I:HEM142 2.1 28.1 1.0
NE2 I:HIS87 2.1 32.1 1.0
ND I:HEM142 2.1 29.6 1.0
NA I:HEM142 2.1 29.6 1.0
CD2 I:HIS87 2.9 34.6 1.0
C1B I:HEM142 3.0 27.9 1.0
C4B I:HEM142 3.0 29.7 1.0
C4C I:HEM142 3.0 26.8 1.0
C1D I:HEM142 3.1 29.1 1.0
C1C I:HEM142 3.1 26.4 1.0
C4A I:HEM142 3.1 29.4 1.0
CE1 I:HIS87 3.2 32.8 1.0
C4D I:HEM142 3.2 30.9 1.0
C1A I:HEM142 3.2 29.4 1.0
CHC I:HEM142 3.4 27.5 1.0
CHD I:HEM142 3.4 27.1 1.0
CHB I:HEM142 3.4 27.4 1.0
CHA I:HEM142 3.5 30.1 1.0
CG I:HIS87 4.1 34.0 1.0
C2B I:HEM142 4.2 31.0 1.0
ND1 I:HIS87 4.2 32.9 1.0
C3B I:HEM142 4.2 31.0 1.0
NE2 I:HIS58 4.3 24.9 1.0
C3C I:HEM142 4.3 25.6 1.0
C2C I:HEM142 4.3 26.1 1.0
C2D I:HEM142 4.3 31.2 1.0
C3A I:HEM142 4.4 30.4 1.0
C2A I:HEM142 4.4 31.2 1.0
C3D I:HEM142 4.4 31.0 1.0

Iron binding site 6 out of 8 in 2ri4

Go back to Iron Binding Sites List in 2ri4
Iron binding site 6 out of 8 in the Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Fe147

b:53.4
occ:1.00
FE J:HEM147 0.0 53.4 1.0
ND J:HEM147 2.0 55.8 1.0
NC J:HEM147 2.0 54.8 1.0
NB J:HEM147 2.1 54.7 1.0
NA J:HEM147 2.1 56.1 1.0
NE2 J:HIS92 2.1 55.4 1.0
O J:HOH148 2.2 21.1 1.0
CE1 J:HIS92 2.7 56.0 1.0
C1D J:HEM147 2.9 56.6 1.0
C4C J:HEM147 3.0 55.2 1.0
C4A J:HEM147 3.1 56.5 1.0
C4D J:HEM147 3.1 56.9 1.0
C1B J:HEM147 3.1 54.5 1.0
C1A J:HEM147 3.1 57.2 1.0
C1C J:HEM147 3.1 54.6 1.0
C4B J:HEM147 3.1 54.1 1.0
CHD J:HEM147 3.3 56.2 1.0
CD2 J:HIS92 3.3 55.2 1.0
CHB J:HEM147 3.4 56.1 1.0
CHA J:HEM147 3.5 56.5 1.0
CHC J:HEM147 3.5 54.3 1.0
ND1 J:HIS92 4.0 56.1 1.0
NE2 J:HIS63 4.1 47.7 1.0
C2D J:HEM147 4.2 57.5 1.0
C3C J:HEM147 4.2 54.8 1.0
C3A J:HEM147 4.3 57.4 1.0
CE1 J:HIS63 4.3 47.5 1.0
CG J:HIS92 4.3 56.0 1.0
C2A J:HEM147 4.3 57.7 1.0
C3D J:HEM147 4.3 56.9 1.0
C2C J:HEM147 4.3 54.0 1.0
C2B J:HEM147 4.3 54.1 1.0
C3B J:HEM147 4.3 53.8 1.0
CG2 J:VAL67 4.9 41.8 1.0
CD2 J:LEU91 5.0 54.8 1.0

Iron binding site 7 out of 8 in 2ri4

Go back to Iron Binding Sites List in 2ri4
Iron binding site 7 out of 8 in the Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Fe142

b:42.6
occ:1.00
FE K:HEM142 0.0 42.6 1.0
NA K:HEM142 2.0 45.2 1.0
ND K:HEM142 2.0 42.8 1.0
NE2 K:HIS87 2.0 44.6 1.0
NC K:HEM142 2.0 43.5 1.0
NB K:HEM142 2.1 44.5 1.0
CE1 K:HIS87 3.0 45.5 1.0
C4A K:HEM142 3.0 45.2 1.0
C1A K:HEM142 3.0 45.9 1.0
C4D K:HEM142 3.0 43.8 1.0
C1D K:HEM142 3.0 42.3 1.0
CD2 K:HIS87 3.0 44.5 1.0
C4C K:HEM142 3.0 42.7 1.0
C1B K:HEM142 3.1 44.4 1.0
C1C K:HEM142 3.1 43.1 1.0
C4B K:HEM142 3.1 44.6 1.0
CHB K:HEM142 3.4 45.5 1.0
CHA K:HEM142 3.4 44.7 1.0
CHD K:HEM142 3.4 42.4 1.0
CHC K:HEM142 3.5 43.3 1.0
ND1 K:HIS87 4.1 46.4 1.0
CG K:HIS87 4.2 44.9 1.0
C3A K:HEM142 4.2 45.2 1.0
C2A K:HEM142 4.2 46.3 1.0
NE2 K:HIS58 4.2 49.9 1.0
C3D K:HEM142 4.3 44.9 1.0
C3C K:HEM142 4.3 42.3 1.0
C2D K:HEM142 4.3 43.8 1.0
C2C K:HEM142 4.3 43.4 1.0
C2B K:HEM142 4.3 45.2 1.0
C3B K:HEM142 4.4 45.4 1.0
CE1 K:HIS58 4.9 49.9 1.0

Iron binding site 8 out of 8 in 2ri4

Go back to Iron Binding Sites List in 2ri4
Iron binding site 8 out of 8 in the Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Fe147

b:43.6
occ:1.00
FE L:HEM147 0.0 43.6 1.0
NB L:HEM147 1.9 41.5 1.0
NE2 L:HIS92 1.9 43.8 1.0
NC L:HEM147 2.0 42.0 1.0
NA L:HEM147 2.1 41.5 1.0
ND L:HEM147 2.4 38.4 1.0
CE1 L:HIS92 2.9 45.2 1.0
C4B L:HEM147 2.9 42.7 1.0
CD2 L:HIS92 2.9 46.7 1.0
C1C L:HEM147 2.9 42.6 1.0
C1B L:HEM147 3.0 40.9 1.0
C4C L:HEM147 3.0 42.2 1.0
C4A L:HEM147 3.1 42.4 1.0
C1A L:HEM147 3.2 40.5 1.0
CHC L:HEM147 3.2 43.0 1.0
C1D L:HEM147 3.3 38.6 1.0
CHB L:HEM147 3.4 40.6 1.0
C4D L:HEM147 3.4 37.3 1.0
CHD L:HEM147 3.5 39.8 1.0
CHA L:HEM147 3.7 38.9 1.0
ND1 L:HIS92 4.0 46.7 1.0
CG L:HIS92 4.0 47.8 1.0
C3B L:HEM147 4.1 41.0 1.0
C2B L:HEM147 4.1 40.6 1.0
C2C L:HEM147 4.2 42.2 1.0
C3C L:HEM147 4.2 43.1 1.0
NE2 L:HIS63 4.4 44.4 1.0
C3A L:HEM147 4.4 42.2 1.0
C2A L:HEM147 4.4 39.9 1.0
C2D L:HEM147 4.6 39.0 1.0
C3D L:HEM147 4.7 39.4 1.0
CG2 L:VAL67 4.9 50.8 1.0
CZ L:PHE42 5.0 29.3 1.0

Reference:

P.Sathya Moorthy, K.Neelagandan, M.Balasubramanian, M.N.Ponnuswamy. Crystal Structure Determination of Goat Methemoglobin at 2.7 Angstrom To Be Published.
Page generated: Thu Jul 17 04:01:02 2025

Last articles

Mn in 9LJU
Mn in 9LJW
Mn in 9LJS
Mn in 9LJR
Mn in 9LJT
Mn in 9LJV
Mg in 9UA2
Mg in 9R96
Mg in 9VM1
Mg in 9P01
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy