Iron in PDB 1jy7: The Structure of Human Methemoglobin. the Variation of A Theme

The structure of The Structure of Human Methemoglobin. the Variation of A Theme, PDB code: 1jy7 was solved by B.K.Biswal, M.Vijayan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 3.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	231.500, 57.900, 143.400, 90.00, 101.20, 90.00
R / Rfree (%)	20.4 / 24.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the The Structure of Human Methemoglobin. the Variation of A Theme (pdb code 1jy7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the The Structure of Human Methemoglobin. the Variation of A Theme, PDB code: 1jy7:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in the The Structure of Human Methemoglobin. the Variation of A Theme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of Human Methemoglobin. the Variation of A Theme within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:90.3 occ:1.00 FE A:HEM142 0.0 90.3 1.0 NB A:HEM142 1.9 90.3 1.0 NC A:HEM142 1.9 90.3 1.0 NA A:HEM142 2.0 90.3 1.0 ND A:HEM142 2.0 90.3 1.0 NE2 A:HIS87 2.4 54.9 1.0 C1B A:HEM142 2.9 90.3 1.0 C4B A:HEM142 2.9 90.3 1.0 C1C A:HEM142 3.0 90.3 1.0 C4A A:HEM142 3.0 90.3 1.0 C4C A:HEM142 3.0 90.3 1.0 C1A A:HEM142 3.1 90.3 1.0 C1D A:HEM142 3.1 90.3 1.0 C4D A:HEM142 3.1 90.3 1.0 CE1 A:HIS87 3.3 54.9 1.0 CHC A:HEM142 3.3 90.3 1.0 CHB A:HEM142 3.4 90.3 1.0 CD2 A:HIS87 3.4 54.9 1.0 CHD A:HEM142 3.4 90.3 1.0 CHA A:HEM142 3.5 90.3 1.0 C2B A:HEM142 4.2 90.3 1.0 C3B A:HEM142 4.2 90.3 1.0 C2C A:HEM142 4.2 90.3 1.0 C3A A:HEM142 4.2 90.3 1.0 C2A A:HEM142 4.3 90.3 1.0 C3C A:HEM142 4.3 90.3 1.0 C2D A:HEM142 4.4 90.3 1.0 C3D A:HEM142 4.4 90.3 1.0 ND1 A:HIS87 4.4 54.9 1.0 CG A:HIS87 4.5 54.9 1.0 CE1 A:HIS58 4.6 41.6 1.0 CG2 A:VAL62 5.0 85.3 1.0

Iron binding site 2 out of 12 in the The Structure of Human Methemoglobin. the Variation of A Theme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structure of Human Methemoglobin. the Variation of A Theme within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:33.7 occ:1.00 FE B:HEM147 0.0 33.7 1.0 NC B:HEM147 2.0 33.7 1.0 NA B:HEM147 2.0 33.7 1.0 ND B:HEM147 2.0 33.7 1.0 NB B:HEM147 2.1 33.7 1.0 NE2 B:HIS92 2.5 85.0 1.0 C4C B:HEM147 3.1 33.7 1.0 C1C B:HEM147 3.1 33.7 1.0 C1D B:HEM147 3.1 33.7 1.0 C1A B:HEM147 3.1 33.7 1.0 C4D B:HEM147 3.1 33.7 1.0 C4A B:HEM147 3.1 33.7 1.0 C4B B:HEM147 3.1 33.7 1.0 C1B B:HEM147 3.2 33.7 1.0 CE1 B:HIS92 3.4 85.0 1.0 CHD B:HEM147 3.5 33.7 1.0 CHC B:HEM147 3.5 33.7 1.0 CHA B:HEM147 3.5 33.7 1.0 CD2 B:HIS92 3.5 85.0 1.0 CHB B:HEM147 3.5 33.7 1.0 NE2 B:HIS63 4.2 45.0 1.0 C3C B:HEM147 4.3 33.7 1.0 C2C B:HEM147 4.3 33.7 1.0 C2A B:HEM147 4.3 33.7 1.0 C2D B:HEM147 4.3 33.7 1.0 C3D B:HEM147 4.3 33.7 1.0 C3A B:HEM147 4.3 33.7 1.0 C3B B:HEM147 4.4 33.7 1.0 C2B B:HEM147 4.4 33.7 1.0 ND1 B:HIS92 4.5 85.0 1.0 CG B:HIS92 4.6 85.0 1.0 CG2 B:VAL67 4.8 21.6 1.0 CE1 B:HIS63 5.0 45.0 1.0

Iron binding site 3 out of 12 in the The Structure of Human Methemoglobin. the Variation of A Theme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Structure of Human Methemoglobin. the Variation of A Theme within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:31.8 occ:1.00 FE C:HEM142 0.0 31.8 1.0 NA C:HEM142 1.9 31.8 1.0 NB C:HEM142 1.9 31.8 1.0 ND C:HEM142 1.9 31.8 1.0 NC C:HEM142 2.0 31.8 1.0 NE2 C:HIS87 2.2 27.9 1.0 C4A C:HEM142 2.9 31.8 1.0 C1B C:HEM142 3.0 31.8 1.0 C1A C:HEM142 3.0 31.8 1.0 C4B C:HEM142 3.0 31.8 1.0 C1D C:HEM142 3.0 31.8 1.0 C4D C:HEM142 3.0 31.8 1.0 C1C C:HEM142 3.0 31.8 1.0 C4C C:HEM142 3.0 31.8 1.0 CE1 C:HIS87 3.1 27.9 1.0 CD2 C:HIS87 3.2 27.9 1.0 CHB C:HEM142 3.3 31.8 1.0 CHA C:HEM142 3.4 31.8 1.0 CHC C:HEM142 3.4 31.8 1.0 CHD C:HEM142 3.4 31.8 1.0 C3A C:HEM142 4.2 31.8 1.0 C2A C:HEM142 4.2 31.8 1.0 C2B C:HEM142 4.2 31.8 1.0 C3B C:HEM142 4.2 31.8 1.0 ND1 C:HIS87 4.3 27.9 1.0 C2D C:HEM142 4.3 31.8 1.0 C2C C:HEM142 4.3 31.8 1.0 C3D C:HEM142 4.3 31.8 1.0 C3C C:HEM142 4.3 31.8 1.0 CG C:HIS87 4.4 27.9 1.0 CE1 C:HIS58 4.6 56.0 1.0

Iron binding site 4 out of 12 in the The Structure of Human Methemoglobin. the Variation of A Theme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Structure of Human Methemoglobin. the Variation of A Theme within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:84.8 occ:1.00 FE D:HEM147 0.0 84.8 1.0 NA D:HEM147 1.9 84.8 1.0 ND D:HEM147 2.0 84.8 1.0 NB D:HEM147 2.0 84.8 1.0 NC D:HEM147 2.0 84.8 1.0 NE2 D:HIS92 2.4 51.5 1.0 C1A D:HEM147 3.0 84.8 1.0 C4A D:HEM147 3.0 84.8 1.0 C4D D:HEM147 3.1 84.8 1.0 C1D D:HEM147 3.1 84.8 1.0 C1B D:HEM147 3.1 84.8 1.0 C4B D:HEM147 3.1 84.8 1.0 C1C D:HEM147 3.1 84.8 1.0 C4C D:HEM147 3.1 84.8 1.0 CE1 D:HIS92 3.3 51.5 1.0 CHA D:HEM147 3.4 84.8 1.0 CHB D:HEM147 3.4 84.8 1.0 CD2 D:HIS92 3.5 51.5 1.0 CHC D:HEM147 3.5 84.8 1.0 CHD D:HEM147 3.5 84.8 1.0 C2A D:HEM147 4.2 84.8 1.0 C3A D:HEM147 4.2 84.8 1.0 NE2 D:HIS63 4.2 56.7 1.0 C3D D:HEM147 4.3 84.8 1.0 C2D D:HEM147 4.3 84.8 1.0 C2B D:HEM147 4.3 84.8 1.0 C3B D:HEM147 4.3 84.8 1.0 C2C D:HEM147 4.4 84.8 1.0 C3C D:HEM147 4.4 84.8 1.0 ND1 D:HIS92 4.4 51.5 1.0 CG D:HIS92 4.6 51.5 1.0 CG2 D:VAL67 4.8 79.4 1.0 CE1 D:HIS63 5.0 56.7 1.0

Iron binding site 5 out of 12 in the The Structure of Human Methemoglobin. the Variation of A Theme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Structure of Human Methemoglobin. the Variation of A Theme within 5.0Å range: probe atom residue distance (Å) B Occ P:Fe142 b:81.1 occ:1.00 FE P:HEM142 0.0 81.1 1.0 ND P:HEM142 1.9 81.1 1.0 NA P:HEM142 1.9 81.1 1.0 NC P:HEM142 1.9 81.1 1.0 NB P:HEM142 2.0 81.1 1.0 NE2 P:HIS87 2.3 53.9 1.0 C1D P:HEM142 3.0 81.1 1.0 C4A P:HEM142 3.0 81.1 1.0 C4C P:HEM142 3.0 81.1 1.0 C1A P:HEM142 3.0 81.1 1.0 C4D P:HEM142 3.0 81.1 1.0 C1C P:HEM142 3.0 81.1 1.0 C1B P:HEM142 3.1 81.1 1.0 C4B P:HEM142 3.1 81.1 1.0 CE1 P:HIS87 3.2 53.9 1.0 CD2 P:HIS87 3.3 53.9 1.0 CHD P:HEM142 3.4 81.1 1.0 CHA P:HEM142 3.4 81.1 1.0 CHB P:HEM142 3.4 81.1 1.0 CHC P:HEM142 3.4 81.1 1.0 C2A P:HEM142 4.2 81.1 1.0 C3A P:HEM142 4.2 81.1 1.0 C2D P:HEM142 4.2 81.1 1.0 C2C P:HEM142 4.3 81.1 1.0 C3C P:HEM142 4.3 81.1 1.0 C3D P:HEM142 4.3 81.1 1.0 C2B P:HEM142 4.3 81.1 1.0 C3B P:HEM142 4.3 81.1 1.0 ND1 P:HIS87 4.4 53.9 1.0 CG P:HIS87 4.5 53.9 1.0 CE1 P:HIS58 4.5 91.4 1.0 CG2 P:VAL62 5.0 63.0 1.0

Iron binding site 6 out of 12 in the The Structure of Human Methemoglobin. the Variation of A Theme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The Structure of Human Methemoglobin. the Variation of A Theme within 5.0Å range: probe atom residue distance (Å) B Occ Q:Fe147 b:33.3 occ:1.00 FE Q:HEM147 0.0 33.3 1.0 NA Q:HEM147 1.9 33.3 1.0 ND Q:HEM147 2.0 33.3 1.0 NC Q:HEM147 2.0 33.3 1.0 NB Q:HEM147 2.0 33.3 1.0 NE2 Q:HIS92 2.3 24.9 1.0 C1A Q:HEM147 3.0 33.3 1.0 C4A Q:HEM147 3.0 33.3 1.0 C4D Q:HEM147 3.0 33.3 1.0 C1C Q:HEM147 3.0 33.3 1.0 C1D Q:HEM147 3.1 33.3 1.0 C4B Q:HEM147 3.1 33.3 1.0 C4C Q:HEM147 3.1 33.3 1.0 C1B Q:HEM147 3.1 33.3 1.0 CE1 Q:HIS92 3.1 24.9 1.0 CD2 Q:HIS92 3.3 24.9 1.0 CHA Q:HEM147 3.4 33.3 1.0 CHC Q:HEM147 3.4 33.3 1.0 CHB Q:HEM147 3.4 33.3 1.0 CHD Q:HEM147 3.5 33.3 1.0 C2A Q:HEM147 4.2 33.3 1.0 C3A Q:HEM147 4.3 33.3 1.0 C3D Q:HEM147 4.3 33.3 1.0 C2C Q:HEM147 4.3 33.3 1.0 C2D Q:HEM147 4.3 33.3 1.0 C3C Q:HEM147 4.3 33.3 1.0 ND1 Q:HIS92 4.3 24.9 1.0 C3B Q:HEM147 4.3 33.3 1.0 C2B Q:HEM147 4.3 33.3 1.0 NE2 Q:HIS63 4.4 52.7 1.0 CG Q:HIS92 4.4 24.9 1.0 CG2 Q:VAL67 5.0 33.3 1.0

Iron binding site 7 out of 12 in the The Structure of Human Methemoglobin. the Variation of A Theme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of The Structure of Human Methemoglobin. the Variation of A Theme within 5.0Å range: probe atom residue distance (Å) B Occ R:Fe142 b:61.1 occ:1.00 FE R:HEM142 0.0 61.1 1.0 ND R:HEM142 1.9 61.1 1.0 NA R:HEM142 1.9 61.1 1.0 NC R:HEM142 2.0 61.1 1.0 NB R:HEM142 2.0 61.1 1.0 NE2 R:HIS87 2.3 61.3 1.0 C1D R:HEM142 3.0 61.1 1.0 C4D R:HEM142 3.0 61.1 1.0 C1A R:HEM142 3.0 61.1 1.0 C4A R:HEM142 3.0 61.1 1.0 C4C R:HEM142 3.0 61.1 1.0 C1C R:HEM142 3.0 61.1 1.0 C1B R:HEM142 3.1 61.1 1.0 C4B R:HEM142 3.1 61.1 1.0 CE1 R:HIS87 3.2 61.3 1.0 CD2 R:HIS87 3.3 61.3 1.0 CHD R:HEM142 3.4 61.1 1.0 CHA R:HEM142 3.4 61.1 1.0 CHB R:HEM142 3.4 61.1 1.0 CHC R:HEM142 3.5 61.1 1.0 C2D R:HEM142 4.2 61.1 1.0 C3D R:HEM142 4.2 61.1 1.0 C2A R:HEM142 4.2 61.1 1.0 C3A R:HEM142 4.2 61.1 1.0 C3C R:HEM142 4.3 61.1 1.0 C2C R:HEM142 4.3 61.1 1.0 C2B R:HEM142 4.3 61.1 1.0 C3B R:HEM142 4.3 61.1 1.0 ND1 R:HIS87 4.3 61.3 1.0 CG R:HIS87 4.4 61.3 1.0 CE1 R:HIS58 4.6 80.0 1.0

Iron binding site 8 out of 12 in the The Structure of Human Methemoglobin. the Variation of A Theme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of The Structure of Human Methemoglobin. the Variation of A Theme within 5.0Å range: probe atom residue distance (Å) B Occ S:Fe147 b:99.5 occ:1.00 FE S:HEM147 0.0 99.5 1.0 NA S:HEM147 2.0 99.5 1.0 NB S:HEM147 2.0 99.5 1.0 NC S:HEM147 2.0 99.5 1.0 ND S:HEM147 2.0 99.5 1.0 NE2 S:HIS92 2.4 99.6 1.0 C1A S:HEM147 3.0 99.5 1.0 C4A S:HEM147 3.0 99.5 1.0 C4B S:HEM147 3.0 99.5 1.0 C1C S:HEM147 3.1 99.5 1.0 C1D S:HEM147 3.1 99.5 1.0 C1B S:HEM147 3.1 99.5 1.0 C4C S:HEM147 3.1 99.5 1.0 C4D S:HEM147 3.1 99.5 1.0 CE1 S:HIS92 3.2 99.6 1.0 CD2 S:HIS92 3.4 99.6 1.0 CHC S:HEM147 3.4 99.5 1.0 CHD S:HEM147 3.5 99.5 1.0 CHA S:HEM147 3.5 99.5 1.0 CHB S:HEM147 3.5 99.5 1.0 C2A S:HEM147 4.3 99.5 1.0 C3A S:HEM147 4.3 99.5 1.0 C2C S:HEM147 4.3 99.5 1.0 C3B S:HEM147 4.3 99.5 1.0 C2B S:HEM147 4.3 99.5 1.0 C3C S:HEM147 4.3 99.5 1.0 C3D S:HEM147 4.3 99.5 1.0 C2D S:HEM147 4.3 99.5 1.0 NE2 S:HIS63 4.4 93.0 1.0 ND1 S:HIS92 4.4 99.6 1.0 CG S:HIS92 4.5 99.6 1.0 CG2 S:VAL67 4.9 85.2 1.0

Iron binding site 9 out of 12 in the The Structure of Human Methemoglobin. the Variation of A Theme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of The Structure of Human Methemoglobin. the Variation of A Theme within 5.0Å range: probe atom residue distance (Å) B Occ U:Fe142 b:0.9 occ:1.00 FE U:HEM142 0.0 0.9 1.0 NA U:HEM142 1.9 0.9 1.0 NB U:HEM142 2.0 0.9 1.0 ND U:HEM142 2.0 0.9 1.0 NC U:HEM142 2.0 0.9 1.0 NE2 U:HIS87 2.3 0.5 1.0 C4A U:HEM142 3.0 0.9 1.0 C1B U:HEM142 3.0 0.9 1.0 C1A U:HEM142 3.0 0.9 1.0 C4B U:HEM142 3.0 0.9 1.0 C4D U:HEM142 3.0 0.9 1.0 C1D U:HEM142 3.0 0.9 1.0 C1C U:HEM142 3.1 0.9 1.0 C4C U:HEM142 3.1 0.9 1.0 CE1 U:HIS87 3.2 0.5 1.0 CD2 U:HIS87 3.3 0.5 1.0 CHB U:HEM142 3.4 0.9 1.0 CHA U:HEM142 3.4 0.9 1.0 CHC U:HEM142 3.4 0.9 1.0 CHD U:HEM142 3.4 0.9 1.0 C3A U:HEM142 4.2 0.9 1.0 C2B U:HEM142 4.2 0.9 1.0 C2A U:HEM142 4.2 0.9 1.0 C3B U:HEM142 4.2 0.9 1.0 C2D U:HEM142 4.3 0.9 1.0 C2C U:HEM142 4.3 0.9 1.0 C3D U:HEM142 4.3 0.9 1.0 C3C U:HEM142 4.3 0.9 1.0 ND1 U:HIS87 4.3 0.5 1.0 CG U:HIS87 4.4 0.5 1.0 CE1 U:HIS58 4.6 0.5 1.0

Iron binding site 10 out of 12 in the The Structure of Human Methemoglobin. the Variation of A Theme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of The Structure of Human Methemoglobin. the Variation of A Theme within 5.0Å range: probe atom residue distance (Å) B Occ V:Fe147 b:0.4 occ:1.00 FE V:HEM147 0.0 0.4 1.0 NA V:HEM147 1.9 0.4 1.0 ND V:HEM147 2.0 0.4 1.0 NB V:HEM147 2.0 0.4 1.0 NC V:HEM147 2.0 0.4 1.0 NE2 V:HIS92 2.3 0.3 1.0 C1A V:HEM147 3.0 0.4 1.0 C4D V:HEM147 3.0 0.4 1.0 C4A V:HEM147 3.0 0.4 1.0 C1D V:HEM147 3.0 0.4 1.0 C4C V:HEM147 3.1 0.4 1.0 C1B V:HEM147 3.1 0.4 1.0 C4B V:HEM147 3.1 0.4 1.0 C1C V:HEM147 3.1 0.4 1.0 CE1 V:HIS92 3.2 0.3 1.0 CD2 V:HIS92 3.4 0.3 1.0 CHA V:HEM147 3.4 0.4 1.0 CHD V:HEM147 3.5 0.4 1.0 CHB V:HEM147 3.5 0.4 1.0 CHC V:HEM147 3.5 0.4 1.0 C2A V:HEM147 4.2 0.4 1.0 C3D V:HEM147 4.3 0.4 1.0 C3A V:HEM147 4.3 0.4 1.0 C2D V:HEM147 4.3 0.4 1.0 NE2 V:HIS63 4.3 93.8 1.0 C2C V:HEM147 4.3 0.4 1.0 C3C V:HEM147 4.3 0.4 1.0 C2B V:HEM147 4.4 0.4 1.0 C3B V:HEM147 4.4 0.4 1.0 ND1 V:HIS92 4.4 0.3 1.0 CG V:HIS92 4.5 0.3 1.0 CG2 V:VAL67 4.9 0.5 1.0

B.K.Biswal, M.Vijayan. Structures of Human Oxy- and Deoxyhaemoglobin at Different Levels of Humidity: Variability in the T State. Acta Crystallogr.,Sect.D V. 58 1155 2002.
ISSN: ISSN 0907-4449
PubMed: 12077435
DOI: 10.1107/S0907444902007138