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Iron in PDB 3cy5: Crystal Structure Determination of Buffalo (Bubalus Bubalis) Hemoglobin at 2 Angstrom Resolution

Protein crystallography data

The structure of Crystal Structure Determination of Buffalo (Bubalus Bubalis) Hemoglobin at 2 Angstrom Resolution, PDB code: 3cy5 was solved by M.Balasubramanian, P.Sathya Moorthy, K.Neelagandan, M.N.Ponnuswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.22 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.064, 74.677, 110.224, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 27

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure Determination of Buffalo (Bubalus Bubalis) Hemoglobin at 2 Angstrom Resolution (pdb code 3cy5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure Determination of Buffalo (Bubalus Bubalis) Hemoglobin at 2 Angstrom Resolution, PDB code: 3cy5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3cy5

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Iron binding site 1 out of 4 in the Crystal Structure Determination of Buffalo (Bubalus Bubalis) Hemoglobin at 2 Angstrom Resolution


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 Buffalo (Bubalus Bubalis) Hemoglobin at 2 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe142

b:21.5
occ:1.00
 FE A:HEM142 0.0 21.5 1.0
NC A:HEM142 2.0 18.1 1.0
NB A:HEM142 2.0 17.9 1.0
O A:HOH154 2.0 17.1 1.0
NA A:HEM142 2.1 18.7 1.0
ND A:HEM142 2.1 18.0 1.0
NE2 A:HIS87 2.2 22.5 1.0
C1C A:HEM142 3.0 18.2 1.0
C4B A:HEM142 3.0 17.6 1.0
C4C A:HEM142 3.0 17.8 1.0
C1B A:HEM142 3.1 17.8 1.0
CE1 A:HIS87 3.1 24.2 1.0
C4A A:HEM142 3.1 20.1 1.0
C1A A:HEM142 3.1 20.2 1.0
C1D A:HEM142 3.1 18.5 1.0
C4D A:HEM142 3.2 19.4 1.0
CD2 A:HIS87 3.2 22.0 1.0
CHC A:HEM142 3.3 17.2 1.0
CHD A:HEM142 3.4 17.4 1.0
CHB A:HEM142 3.5 18.9 1.0
CHA A:HEM142 3.5 19.5 1.0
NE2 A:HIS58 4.2 23.4 1.0
C2C A:HEM142 4.2 17.6 1.0
C3C A:HEM142 4.2 18.3 1.0
ND1 A:HIS87 4.2 22.2 1.0
C3B A:HEM142 4.2 17.1 1.0
C2B A:HEM142 4.3 18.5 1.0
CG A:HIS87 4.3 22.9 1.0
C2A A:HEM142 4.3 21.7 1.0
C3A A:HEM142 4.4 20.8 1.0
C2D A:HEM142 4.4 17.7 1.0
C3D A:HEM142 4.4 19.1 1.0
CE1 A:HIS58 4.6 23.1 1.0
CG2 A:VAL62 4.9 19.7 1.0

Iron binding site 2 out of 4 in 3cy5

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Iron binding site 2 out of 4 in the Crystal Structure Determination of Buffalo (Bubalus Bubalis) Hemoglobin at 2 Angstrom Resolution


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 Buffalo (Bubalus Bubalis) Hemoglobin at 2 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe147

b:23.3
occ:1.00
 FE B:HEM147 0.0 23.3 1.0
NC B:HEM147 2.0 22.4 1.0
ND B:HEM147 2.1 21.4 1.0
NE2 B:HIS92 2.1 21.6 1.0
NB B:HEM147 2.1 21.9 1.0
NA B:HEM147 2.1 22.2 1.0
O B:HOH174 2.2 22.6 1.0
CE1 B:HIS92 3.0 20.6 1.0
C4C B:HEM147 3.0 21.4 1.0
C1D B:HEM147 3.0 21.1 1.0
C1C B:HEM147 3.1 20.2 1.0
C4B B:HEM147 3.1 20.6 1.0
C4D B:HEM147 3.1 21.2 1.0
C1A B:HEM147 3.1 21.9 1.0
CD2 B:HIS92 3.1 21.2 1.0
C1B B:HEM147 3.1 21.7 1.0
C4A B:HEM147 3.1 22.5 1.0
CHC B:HEM147 3.4 20.3 1.0
CHD B:HEM147 3.4 20.7 1.0
CHA B:HEM147 3.5 21.5 1.0
CHB B:HEM147 3.5 21.4 1.0
ND1 B:HIS92 4.1 20.5 1.0
CG B:HIS92 4.2 19.4 1.0
C2C B:HEM147 4.3 20.5 1.0
C3C B:HEM147 4.3 21.8 1.0
C2D B:HEM147 4.3 21.9 1.0
C3D B:HEM147 4.3 21.8 1.0
C3B B:HEM147 4.3 21.6 1.0
C2A B:HEM147 4.3 23.8 1.0
C3A B:HEM147 4.3 22.9 1.0
C2B B:HEM147 4.3 22.4 1.0
NE2 B:HIS63 4.4 28.5 1.0
CE1 B:HIS63 4.7 29.3 1.0
CG2 B:VAL67 4.8 24.4 1.0

Iron binding site 3 out of 4 in 3cy5

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Iron binding site 3 out of 4 in the Crystal Structure Determination of Buffalo (Bubalus Bubalis) Hemoglobin at 2 Angstrom Resolution


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 Buffalo (Bubalus Bubalis) Hemoglobin at 2 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe142

b:26.6
occ:1.00
 FE C:HEM142 0.0 26.6 1.0
NE2 C:HIS87 2.0 27.1 1.0
NB C:HEM142 2.0 24.3 1.0
NC C:HEM142 2.1 25.4 1.0
NA C:HEM142 2.1 26.7 1.0
ND C:HEM142 2.1 25.3 1.0
O C:HOH169 2.2 19.8 1.0
CE1 C:HIS87 2.9 25.9 1.0
C4B C:HEM142 3.0 22.5 1.0
C1B C:HEM142 3.1 23.9 1.0
C1C C:HEM142 3.1 24.8 1.0
CD2 C:HIS87 3.1 25.9 1.0
C4C C:HEM142 3.1 22.9 1.0
C4A C:HEM142 3.1 26.4 1.0
C1A C:HEM142 3.1 27.4 1.0
C1D C:HEM142 3.1 25.4 1.0
C4D C:HEM142 3.1 26.3 1.0
CHC C:HEM142 3.4 24.1 1.0
CHB C:HEM142 3.4 25.1 1.0
CHD C:HEM142 3.5 24.1 1.0
CHA C:HEM142 3.5 26.9 1.0
ND1 C:HIS87 4.1 26.3 1.0
CG C:HIS87 4.2 27.3 1.0
NE2 C:HIS58 4.3 29.1 1.0
C2B C:HEM142 4.3 21.5 1.0
C3B C:HEM142 4.3 22.0 1.0
C2C C:HEM142 4.3 23.6 1.0
C3C C:HEM142 4.3 23.4 1.0
C3A C:HEM142 4.3 27.0 1.0
C2A C:HEM142 4.3 28.1 1.0
C3D C:HEM142 4.4 27.1 1.0
C2D C:HEM142 4.4 26.2 1.0
CE1 C:HIS58 4.6 29.7 1.0
CG2 C:VAL62 4.9 30.3 1.0

Iron binding site 4 out of 4 in 3cy5

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Iron binding site 4 out of 4 in the Crystal Structure Determination of Buffalo (Bubalus Bubalis) Hemoglobin at 2 Angstrom Resolution


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 Buffalo (Bubalus Bubalis) Hemoglobin at 2 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe147

b:26.7
occ:1.00
 FE D:HEM147 0.0 26.7 1.0
NA D:HEM147 2.0 29.1 1.0
NE2 D:HIS92 2.1 26.6 1.0
NB D:HEM147 2.1 27.5 1.0
O D:HOH167 2.1 20.9 1.0
NC D:HEM147 2.1 28.1 1.0
ND D:HEM147 2.1 28.3 1.0
CE1 D:HIS92 2.9 27.5 1.0
C1A D:HEM147 3.0 29.1 1.0
C4A D:HEM147 3.1 27.5 1.0
C4B D:HEM147 3.1 27.9 1.0
C1C D:HEM147 3.1 27.7 1.0
C4D D:HEM147 3.1 29.4 1.0
C1B D:HEM147 3.1 27.6 1.0
C1D D:HEM147 3.1 28.5 1.0
C4C D:HEM147 3.1 28.0 1.0
CD2 D:HIS92 3.2 25.9 1.0
CHA D:HEM147 3.4 29.2 1.0
CHC D:HEM147 3.4 27.7 1.0
CHB D:HEM147 3.5 27.2 1.0
CHD D:HEM147 3.5 28.0 1.0
ND1 D:HIS92 4.1 27.1 1.0
NE2 D:HIS63 4.2 26.6 1.0
C2A D:HEM147 4.2 29.1 1.0
C3A D:HEM147 4.2 28.5 1.0
CG D:HIS92 4.3 27.3 1.0
C3B D:HEM147 4.3 27.6 1.0
C2C D:HEM147 4.3 27.2 1.0
C3D D:HEM147 4.3 31.2 1.0
C2B D:HEM147 4.3 28.2 1.0
C3C D:HEM147 4.3 28.2 1.0
C2D D:HEM147 4.3 29.9 1.0
CG2 D:VAL67 4.8 29.4 1.0
CE1 D:HIS63 4.8 28.1 1.0

Reference:

M.Balasubramanian, P.Sathya Moorthy, K.Neelagandan, M.N.Ponnuswamy. Crystal Structure Determination of Hemoglobin From Buffalo (Bubalus Bubalis) at 2 Angstrom Resolution To Be Published.
Page generated: Sun Aug 4 08:37:59 2024

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