Zinc 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:

Iron	(Fe)	36 atoms
Calcium	(Ca)	9 atoms

The binding sites of Zinc 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 Zinc atom.
In total 6 binding sites of Zinc where determined in the The Crystallographic Structure of the Giant Hemoglobin From Glossoscolex Paulistus at 3.2 A Resolution., PDB code: 4u8u:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 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 Zinc with other atoms in the Zn 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 O:Zn302 b:28.0 occ:1.00 NE2 O:HIS94 2.1 51.9 1.0 OD1 O:ASP90 2.1 35.0 1.0 NE2 O:HIS64 2.2 20.4 1.0 O O:HOH401 2.2 28.0 1.0 CE1 O:HIS64 2.7 20.4 1.0 CE1 O:HIS94 2.9 51.9 1.0 CG O:ASP90 3.1 35.0 1.0 CD2 O:HIS94 3.2 51.9 1.0 CD2 O:HIS64 3.4 20.4 1.0 O O:GLN65 3.5 28.0 1.0 OD2 O:ASP90 3.5 35.0 1.0 ND1 O:HIS64 3.9 20.4 1.0 ND1 O:HIS94 4.1 51.9 1.0 CG O:HIS94 4.2 51.9 1.0 CG O:HIS64 4.3 20.4 1.0 CB O:ASP90 4.4 35.0 1.0 C O:GLN65 4.5 28.0 1.0 O O:ASP90 4.6 19.8 1.0 CA O:CYS66 4.7 15.2 1.0 O O:CYS66 4.7 15.2 1.0 C O:CYS66 4.8 15.2 1.0 C O:ASP90 5.0 19.8 1.0

Zinc binding site 2 out of 6 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 Zinc with other atoms in the Zn 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 O:Zn303 b:28.0 occ:1.00 NE2 O:HIS144 2.1 13.6 1.0 NE2 O:HIS142 2.1 20.5 1.0 CE1 O:HIS142 3.0 20.5 1.0 CE1 O:HIS144 3.0 13.6 1.0 CD2 O:HIS144 3.1 13.6 1.0 CD2 O:HIS142 3.2 20.5 1.0 CB O:PRO161 3.8 28.0 1.0 ND1 O:HIS142 4.1 20.5 1.0 ND1 O:HIS144 4.1 13.6 1.0 CG O:HIS144 4.2 13.6 1.0 CG O:HIS142 4.3 20.5 1.0 CA O:PRO161 4.7 28.0 1.0 CG O:PRO161 4.8 28.0 1.0 CG O:GLU127 4.9 35.6 1.0

Zinc binding site 3 out of 6 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 Zinc with other atoms in the Zn 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:Zn302 b:28.0 occ:1.00 NE2 s:HIS144 2.0 28.0 1.0 NE2 c:HIS236 2.1 49.5 1.0 NE2 s:HIS142 2.1 28.0 1.0 O c:HOH401 2.1 28.0 1.0 CD2 c:HIS236 2.7 49.5 1.0 CE1 s:HIS142 3.0 28.0 1.0 CE1 s:HIS144 3.0 28.0 1.0 CD2 s:HIS144 3.1 28.0 1.0 CD2 s:HIS142 3.2 28.0 1.0 CE1 c:HIS236 3.3 49.5 1.0 CB s:PRO161 3.8 28.0 1.0 CG c:HIS236 4.0 49.5 1.0 ND1 s:HIS144 4.1 28.0 1.0 ND1 s:HIS142 4.1 28.0 1.0 CG s:HIS144 4.2 28.0 1.0 ND1 c:HIS236 4.2 49.5 1.0 CG s:HIS142 4.3 28.0 1.0 CD1 c:ILE117 4.4 28.0 1.0 CA s:PRO161 4.7 16.1 1.0 CG s:PRO161 4.8 28.0 1.0 CG s:GLU127 4.8 30.5 1.0

Zinc binding site 4 out of 6 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 Zinc with other atoms in the Zn 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:Zn302 b:28.0 occ:1.00 NE2 d:HIS94 2.1 62.7 1.0 OD1 d:ASP90 2.1 20.9 1.0 NE2 d:HIS64 2.2 28.0 1.0 O d:HOH401 2.2 28.0 1.0 CE1 d:HIS64 2.7 28.0 1.0 CE1 d:HIS94 2.9 62.7 1.0 CG d:ASP90 3.1 20.9 1.0 CD2 d:HIS94 3.2 62.7 1.0 CD2 d:HIS64 3.4 28.0 1.0 O d:GLN65 3.5 28.0 1.0 OD2 d:ASP90 3.5 20.9 1.0 ND1 d:HIS64 3.9 28.0 1.0 ND1 d:HIS94 4.1 62.7 1.0 CG d:HIS94 4.2 62.7 1.0 CG d:HIS64 4.3 28.0 1.0 CB d:ASP90 4.4 20.9 1.0 C d:GLN65 4.5 28.0 1.0 O d:ASP90 4.6 26.1 1.0 CA d:CYS66 4.7 18.5 1.0 O d:CYS66 4.7 18.5 1.0 C d:CYS66 4.8 18.5 1.0 C d:ASP90 4.9 26.1 1.0 N d:CYS66 5.0 18.5 1.0

Zinc binding site 5 out of 6 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 Zinc with other atoms in the Zn 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 d:Zn303 b:28.0 occ:1.00 NE2 d:HIS144 2.1 28.0 1.0 NE2 d:HIS142 2.1 28.0 1.0 O d:HOH402 2.1 28.0 1.0 CE1 d:HIS142 3.0 28.0 1.0 CE1 d:HIS144 3.0 28.0 1.0 CD2 d:HIS144 3.1 28.0 1.0 CD2 d:HIS142 3.2 28.0 1.0 CB d:PRO161 3.8 28.0 1.0 ND1 d:HIS142 4.1 28.0 1.0 ND1 d:HIS144 4.2 28.0 1.0 CG d:HIS144 4.2 28.0 1.0 CG d:HIS142 4.3 28.0 1.0 CA d:PRO161 4.7 20.9 1.0 CG d:PRO161 4.8 28.0 1.0 CG d:GLU127 4.9 19.3 1.0

Zinc binding site 6 out of 6 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 Zinc with other atoms in the Zn 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 s:Zn302 b:28.0 occ:1.00 NE2 s:HIS94 2.1 58.1 1.0 OD1 s:ASP90 2.1 17.3 1.0 O s:HOH401 2.2 28.0 1.0 NE2 s:HIS64 2.2 14.3 1.0 CE1 s:HIS64 2.8 14.3 1.0 CE1 s:HIS94 2.9 58.1 1.0 CG s:ASP90 3.1 17.3 1.0 CD2 s:HIS94 3.2 58.1 1.0 CD2 s:HIS64 3.5 14.3 1.0 O s:GLN65 3.5 28.0 1.0 OD2 s:ASP90 3.5 17.3 1.0 ND1 s:HIS64 4.0 14.3 1.0 ND1 s:HIS94 4.1 58.1 1.0 CG s:HIS94 4.3 58.1 1.0 CG s:HIS64 4.3 14.3 1.0 CB s:ASP90 4.4 17.3 1.0 C s:GLN65 4.5 28.0 1.0 O s:CYS66 4.7 20.1 1.0 O s:ASP90 4.7 20.4 1.0 CA s:CYS66 4.7 20.1 1.0 C s:CYS66 4.8 20.1 1.0 C s:ASP90 5.0 20.4 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