Iron in PDB 4u8u: The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution.

The structure of The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution., PDB code: 4u8u was solved by J.F.R.Bachega, F.V.Maluf, B.Andi, H.D'muniz Pereira, M.F.Carazzollea, A.Orville, M.Tabak, R.C.Garratt, E.Horjales, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.66 / 3.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	272.680, 319.900, 333.180, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 23.5

The structure of The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution. also contains other interesting chemical elements:

Calcium	(Ca)	9 atoms
Zinc	(Zn)	6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Iron atom in the The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution. (pdb code 4u8u). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 36 binding sites of Iron where determined in the The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution., PDB code: 4u8u:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 36 in the The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:28.0 occ:1.00 FE A:HEM201 0.0 28.0 1.0 NE2 A:HIS99 1.9 28.4 1.0 NA A:HEM201 2.1 28.0 1.0 C A:CYN202 2.1 28.0 1.0 ND A:HEM201 2.1 28.0 1.0 NC A:HEM201 2.1 28.0 1.0 NB A:HEM201 2.1 28.0 1.0 CE1 A:HIS99 2.7 28.4 1.0 N A:CYN202 3.0 28.0 1.0 C4D A:HEM201 3.0 28.0 1.0 C1A A:HEM201 3.1 28.0 1.0 CD2 A:HIS99 3.1 28.4 1.0 C1D A:HEM201 3.1 28.0 1.0 C4A A:HEM201 3.1 28.0 1.0 C4C A:HEM201 3.1 28.0 1.0 C1C A:HEM201 3.1 28.0 1.0 C1B A:HEM201 3.1 28.0 1.0 C4B A:HEM201 3.2 28.0 1.0 CHA A:HEM201 3.4 28.0 1.0 CHB A:HEM201 3.5 28.0 1.0 CHD A:HEM201 3.5 28.0 1.0 CHC A:HEM201 3.5 28.0 1.0 ND1 A:HIS99 3.9 28.4 1.0 CG A:HIS99 4.1 28.4 1.0 C3D A:HEM201 4.3 28.0 1.0 C2A A:HEM201 4.3 28.0 1.0 C3A A:HEM201 4.3 28.0 1.0 C2D A:HEM201 4.3 28.0 1.0 C3C A:HEM201 4.3 28.0 1.0 C2C A:HEM201 4.3 28.0 1.0 C2B A:HEM201 4.4 28.0 1.0 C3B A:HEM201 4.4 28.0 1.0

Iron binding site 2 out of 36 in the The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:28.0 occ:1.00 FE B:HEM201 0.0 28.0 1.0 NE2 B:HIS95 1.8 30.5 1.0 NA B:HEM201 2.0 28.0 1.0 NC B:HEM201 2.1 28.0 1.0 C B:CYN202 2.1 28.0 1.0 ND B:HEM201 2.1 28.0 1.0 NB B:HEM201 2.1 28.0 1.0 N B:CYN202 2.4 28.0 1.0 CE1 B:HIS95 2.5 30.5 1.0 C1A B:HEM201 3.0 28.0 1.0 C4A B:HEM201 3.0 28.0 1.0 C4C B:HEM201 3.1 28.0 1.0 C4D B:HEM201 3.1 28.0 1.0 C1B B:HEM201 3.1 28.0 1.0 CD2 B:HIS95 3.1 30.5 1.0 C1D B:HEM201 3.1 28.0 1.0 C1C B:HEM201 3.1 28.0 1.0 C4B B:HEM201 3.2 28.0 1.0 CHA B:HEM201 3.4 28.0 1.0 CHB B:HEM201 3.4 28.0 1.0 CHD B:HEM201 3.5 28.0 1.0 CHC B:HEM201 3.6 28.0 1.0 ND1 B:HIS95 3.7 30.5 1.0 CG B:HIS95 4.0 30.5 1.0 C2A B:HEM201 4.2 28.0 1.0 C3A B:HEM201 4.2 28.0 1.0 C3C B:HEM201 4.3 28.0 1.0 C3D B:HEM201 4.3 28.0 1.0 C2C B:HEM201 4.3 28.0 1.0 C2D B:HEM201 4.3 28.0 1.0 C2B B:HEM201 4.3 28.0 1.0 C3B B:HEM201 4.4 28.0 1.0

Iron binding site 3 out of 36 in the The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:28.0 occ:1.00 FE C:HEM201 0.0 28.0 1.0 NC C:HEM201 2.0 28.0 1.0 NA C:HEM201 2.1 28.0 1.0 NE2 C:HIS100 2.1 20.0 1.0 ND C:HEM201 2.1 28.0 1.0 NB C:HEM201 2.1 28.0 1.0 C C:CYN202 2.1 28.0 1.0 CE1 C:HIS100 2.9 20.0 1.0 C4C C:HEM201 3.0 28.0 1.0 C1C C:HEM201 3.1 28.0 1.0 C1A C:HEM201 3.1 28.0 1.0 C1D C:HEM201 3.1 28.0 1.0 C4A C:HEM201 3.1 28.0 1.0 C4D C:HEM201 3.1 28.0 1.0 C1B C:HEM201 3.1 28.0 1.0 N C:CYN202 3.1 28.0 1.0 C4B C:HEM201 3.1 28.0 1.0 CD2 C:HIS100 3.1 20.0 1.0 CHD C:HEM201 3.4 28.0 1.0 CHA C:HEM201 3.4 28.0 1.0 CHB C:HEM201 3.5 28.0 1.0 CHC C:HEM201 3.5 28.0 1.0 ND1 C:HIS100 4.0 20.0 1.0 CG C:HIS100 4.2 20.0 1.0 C2C C:HEM201 4.2 28.0 1.0 C3C C:HEM201 4.3 28.0 1.0 C2A C:HEM201 4.3 28.0 1.0 C3A C:HEM201 4.3 28.0 1.0 C2D C:HEM201 4.3 28.0 1.0 C3D C:HEM201 4.3 28.0 1.0 C2B C:HEM201 4.3 28.0 1.0 C3B C:HEM201 4.3 28.0 1.0

Iron binding site 4 out of 36 in the The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:28.0 occ:1.00 FE D:HEM201 0.0 28.0 1.0 NE2 D:HIS94 1.9 32.1 1.0 NC D:HEM201 2.0 28.0 1.0 ND D:HEM201 2.1 28.0 1.0 C D:CYN202 2.1 28.0 1.0 NA D:HEM201 2.1 28.0 1.0 NB D:HEM201 2.1 28.0 1.0 CE1 D:HIS94 2.9 32.1 1.0 CD2 D:HIS94 2.9 32.1 1.0 N D:CYN202 3.0 28.0 1.0 C4D D:HEM201 3.0 28.0 1.0 C4C D:HEM201 3.1 28.0 1.0 C1A D:HEM201 3.1 28.0 1.0 C1C D:HEM201 3.1 28.0 1.0 C1D D:HEM201 3.1 28.0 1.0 C4A D:HEM201 3.1 28.0 1.0 C4B D:HEM201 3.1 28.0 1.0 C1B D:HEM201 3.1 28.0 1.0 CHA D:HEM201 3.4 28.0 1.0 CHD D:HEM201 3.5 28.0 1.0 CHC D:HEM201 3.5 28.0 1.0 CHB D:HEM201 3.5 28.0 1.0 ND1 D:HIS94 4.0 32.1 1.0 CG D:HIS94 4.0 32.1 1.0 C3C D:HEM201 4.3 28.0 1.0 C3D D:HEM201 4.3 28.0 1.0 C2C D:HEM201 4.3 28.0 1.0 C2A D:HEM201 4.3 28.0 1.0 C2D D:HEM201 4.3 28.0 1.0 C3A D:HEM201 4.3 28.0 1.0 C2B D:HEM201 4.4 28.0 1.0 C3B D:HEM201 4.4 28.0 1.0

Iron binding site 5 out of 36 in the The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe201 b:28.0 occ:1.00 FE E:HEM201 0.0 28.0 1.0 NE2 E:HIS99 1.9 22.8 1.0 NA E:HEM201 2.0 28.0 1.0 C E:CYN202 2.1 28.0 1.0 ND E:HEM201 2.1 28.0 1.0 NC E:HEM201 2.1 28.0 1.0 NB E:HEM201 2.1 28.0 1.0 CE1 E:HIS99 2.7 22.8 1.0 N E:CYN202 2.9 28.0 1.0 C1A E:HEM201 3.0 28.0 1.0 C4D E:HEM201 3.0 28.0 1.0 CD2 E:HIS99 3.1 22.8 1.0 C4A E:HEM201 3.1 28.0 1.0 C1D E:HEM201 3.1 28.0 1.0 C1C E:HEM201 3.1 28.0 1.0 C1B E:HEM201 3.1 28.0 1.0 C4B E:HEM201 3.2 28.0 1.0 C4C E:HEM201 3.2 28.0 1.0 CHA E:HEM201 3.4 28.0 1.0 CHB E:HEM201 3.5 28.0 1.0 CHC E:HEM201 3.5 28.0 1.0 CHD E:HEM201 3.6 28.0 1.0 ND1 E:HIS99 3.9 22.8 1.0 CG E:HIS99 4.1 22.8 1.0 C2A E:HEM201 4.2 28.0 1.0 C3A E:HEM201 4.3 28.0 1.0 C3D E:HEM201 4.3 28.0 1.0 C2D E:HEM201 4.3 28.0 1.0 C2B E:HEM201 4.4 28.0 1.0 C2C E:HEM201 4.4 28.0 1.0 C3B E:HEM201 4.4 28.0 1.0 C3C E:HEM201 4.4 28.0 1.0

Iron binding site 6 out of 36 in the The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe201 b:28.0 occ:1.00 FE F:HEM201 0.0 28.0 1.0 NE2 F:HIS95 1.9 23.6 1.0 ND F:HEM201 2.0 28.0 1.0 NA F:HEM201 2.0 28.0 1.0 C F:CYN202 2.0 28.0 1.0 NB F:HEM201 2.1 28.0 1.0 NC F:HEM201 2.1 28.0 1.0 N F:CYN202 2.4 28.0 1.0 CE1 F:HIS95 2.6 23.6 1.0 C4D F:HEM201 3.0 28.0 1.0 C1A F:HEM201 3.0 28.0 1.0 C4A F:HEM201 3.1 28.0 1.0 C1D F:HEM201 3.1 28.0 1.0 C1B F:HEM201 3.1 28.0 1.0 C4C F:HEM201 3.1 28.0 1.0 CD2 F:HIS95 3.1 23.6 1.0 C1C F:HEM201 3.2 28.0 1.0 C4B F:HEM201 3.2 28.0 1.0 CHA F:HEM201 3.4 28.0 1.0 CHB F:HEM201 3.5 28.0 1.0 CHD F:HEM201 3.5 28.0 1.0 CHC F:HEM201 3.6 28.0 1.0 ND1 F:HIS95 3.8 23.6 1.0 CG F:HIS95 4.1 23.6 1.0 C2A F:HEM201 4.2 28.0 1.0 C3D F:HEM201 4.3 28.0 1.0 C3A F:HEM201 4.3 28.0 1.0 C2D F:HEM201 4.3 28.0 1.0 C3C F:HEM201 4.3 28.0 1.0 C2B F:HEM201 4.3 28.0 1.0 C2C F:HEM201 4.4 28.0 1.0 C3B F:HEM201 4.4 28.0 1.0

Iron binding site 7 out of 36 in the The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe201 b:28.0 occ:1.00 FE G:HEM201 0.0 28.0 1.0 NE2 G:HIS100 2.0 17.3 1.0 NA G:HEM201 2.0 28.0 1.0 ND G:HEM201 2.1 28.0 1.0 NC G:HEM201 2.1 28.0 1.0 C G:CYN202 2.1 28.0 1.0 NB G:HEM201 2.1 28.0 1.0 N G:CYN202 2.6 28.0 1.0 CE1 G:HIS100 2.8 17.3 1.0 C4D G:HEM201 3.0 28.0 1.0 C1A G:HEM201 3.0 28.0 1.0 C1D G:HEM201 3.0 28.0 1.0 C4C G:HEM201 3.1 28.0 1.0 CD2 G:HIS100 3.1 17.3 1.0 C4A G:HEM201 3.1 28.0 1.0 C1B G:HEM201 3.1 28.0 1.0 C1C G:HEM201 3.1 28.0 1.0 C4B G:HEM201 3.2 28.0 1.0 CHA G:HEM201 3.4 28.0 1.0 CHD G:HEM201 3.4 28.0 1.0 CHB G:HEM201 3.5 28.0 1.0 CHC G:HEM201 3.6 28.0 1.0 ND1 G:HIS100 3.9 17.3 1.0 CG G:HIS100 4.1 17.3 1.0 C3D G:HEM201 4.3 28.0 1.0 C2D G:HEM201 4.3 28.0 1.0 C2A G:HEM201 4.3 28.0 1.0 C3A G:HEM201 4.3 28.0 1.0 C3C G:HEM201 4.3 28.0 1.0 C2C G:HEM201 4.3 28.0 1.0 C2B G:HEM201 4.4 28.0 1.0 C3B G:HEM201 4.4 28.0 1.0

Iron binding site 8 out of 36 in the The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe201 b:28.0 occ:1.00 FE H:HEM201 0.0 28.0 1.0 NE2 H:HIS94 1.9 48.5 1.0 NC H:HEM201 2.0 28.0 1.0 ND H:HEM201 2.1 28.0 1.0 NA H:HEM201 2.1 28.0 1.0 C H:CYN202 2.1 28.0 1.0 NB H:HEM201 2.1 28.0 1.0 CE1 H:HIS94 2.8 48.5 1.0 N H:CYN202 2.9 28.0 1.0 CD2 H:HIS94 2.9 48.5 1.0 C4D H:HEM201 3.0 28.0 1.0 C4C H:HEM201 3.1 28.0 1.0 C1A H:HEM201 3.1 28.0 1.0 C1D H:HEM201 3.1 28.0 1.0 C1C H:HEM201 3.1 28.0 1.0 C4A H:HEM201 3.1 28.0 1.0 C1B H:HEM201 3.1 28.0 1.0 C4B H:HEM201 3.1 28.0 1.0 CHA H:HEM201 3.4 28.0 1.0 CHD H:HEM201 3.5 28.0 1.0 CHB H:HEM201 3.5 28.0 1.0 CHC H:HEM201 3.5 28.0 1.0 ND1 H:HIS94 4.0 48.5 1.0 CG H:HIS94 4.0 48.5 1.0 C3C H:HEM201 4.3 28.0 1.0 C2C H:HEM201 4.3 28.0 1.0 C3D H:HEM201 4.3 28.0 1.0 C2A H:HEM201 4.3 28.0 1.0 C2D H:HEM201 4.3 28.0 1.0 C3A H:HEM201 4.3 28.0 1.0 C2B H:HEM201 4.3 28.0 1.0 C3B H:HEM201 4.3 28.0 1.0

Iron binding site 9 out of 36 in the The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ I:Fe201 b:28.0 occ:1.00 FE I:HEM201 0.0 28.0 1.0 NE2 I:HIS99 1.9 16.4 1.0 NA I:HEM201 2.1 28.0 1.0 C I:CYN202 2.1 28.0 1.0 NB I:HEM201 2.1 28.0 1.0 NC I:HEM201 2.1 28.0 1.0 ND I:HEM201 2.1 28.0 1.0 CE1 I:HIS99 2.7 16.4 1.0 N I:CYN202 2.8 28.0 1.0 C1A I:HEM201 3.1 28.0 1.0 C1B I:HEM201 3.1 28.0 1.0 C4A I:HEM201 3.1 28.0 1.0 C4B I:HEM201 3.1 28.0 1.0 C4D I:HEM201 3.1 28.0 1.0 C1C I:HEM201 3.1 28.0 1.0 CD2 I:HIS99 3.1 16.4 1.0 C1D I:HEM201 3.1 28.0 1.0 C4C I:HEM201 3.2 28.0 1.0 CHA I:HEM201 3.5 28.0 1.0 CHB I:HEM201 3.5 28.0 1.0 CHC I:HEM201 3.5 28.0 1.0 CHD I:HEM201 3.6 28.0 1.0 ND1 I:HIS99 3.9 16.4 1.0 CG I:HIS99 4.1 16.4 1.0 C2B I:HEM201 4.3 28.0 1.0 C3B I:HEM201 4.3 28.0 1.0 C3A I:HEM201 4.3 28.0 1.0 C2A I:HEM201 4.3 28.0 1.0 C2C I:HEM201 4.3 28.0 1.0 C3D I:HEM201 4.3 28.0 1.0 C3C I:HEM201 4.3 28.0 1.0 C2D I:HEM201 4.4 28.0 1.0

Iron binding site 10 out of 36 in the The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ J:Fe201 b:28.0 occ:1.00 FE J:HEM201 0.0 28.0 1.0 NE2 J:HIS95 1.9 47.8 1.0 NA J:HEM201 2.0 28.0 1.0 C J:CYN202 2.1 28.0 1.0 NB J:HEM201 2.1 28.0 1.0 ND J:HEM201 2.1 28.0 1.0 NC J:HEM201 2.1 28.0 1.0 CE1 J:HIS95 2.6 47.8 1.0 N J:CYN202 2.6 28.0 1.0 C4A J:HEM201 3.1 28.0 1.0 C1A J:HEM201 3.1 28.0 1.0 C4D J:HEM201 3.1 28.0 1.0 C1B J:HEM201 3.1 28.0 1.0 CD2 J:HIS95 3.1 47.8 1.0 C1D J:HEM201 3.1 28.0 1.0 C4B J:HEM201 3.1 28.0 1.0 C4C J:HEM201 3.1 28.0 1.0 C1C J:HEM201 3.1 28.0 1.0 CHA J:HEM201 3.4 28.0 1.0 CHB J:HEM201 3.4 28.0 1.0 CHD J:HEM201 3.6 28.0 1.0 CHC J:HEM201 3.6 28.0 1.0 ND1 J:HIS95 3.8 47.8 1.0 CG J:HIS95 4.1 47.8 1.0 C3A J:HEM201 4.3 28.0 1.0 C2A J:HEM201 4.3 28.0 1.0 C2B J:HEM201 4.3 28.0 1.0 C3D J:HEM201 4.3 28.0 1.0 C3B J:HEM201 4.3 28.0 1.0 C2D J:HEM201 4.3 28.0 1.0 C3C J:HEM201 4.3 28.0 1.0 C2C J:HEM201 4.3 28.0 1.0

J.F.Ruggiero Bachega, F.Vasconcelos Maluf, B.Andi, H.D'muniz Pereira, M.Falsarella Carazzollea, A.M.Orville, M.Tabak, J.Brandao-Neto, R.C.Garratt, E.Horjales Reboredo. The Structure of the Giant Haemoglobin From Glossoscolex Paulistus. Acta Crystallogr.,Sect.D V. 71 1257 2015.
ISSN: ESSN 1399-0047
PubMed: 26057666
DOI: 10.1107/S1399004715005453