Aluminium in PDB 2d3i: Crystal Structure of Aluminum-Bound Ovotransferrin at 2.15 Angstrom Resolution

The structure of Crystal Structure of Aluminum-Bound Ovotransferrin at 2.15 Angstrom Resolution, PDB code: 2d3i was solved by K.Mizutani, B.Mikami, S.Aibara, M.Hirose, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.03 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.353, 59.184, 87.974, 90.00, 95.72, 90.00
R / Rfree (%)	20.6 / 24.3

The binding sites of Aluminium atom in the Crystal Structure of Aluminum-Bound Ovotransferrin at 2.15 Angstrom Resolution (pdb code 2d3i). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 2 binding sites of Aluminium where determined in the Crystal Structure of Aluminum-Bound Ovotransferrin at 2.15 Angstrom Resolution, PDB code: 2d3i:
Jump to Aluminium binding site number: 1; 2;

Aluminium binding site 1 out of 2 in the Crystal Structure of Aluminum-Bound Ovotransferrin at 2.15 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Crystal Structure of Aluminum-Bound Ovotransferrin at 2.15 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Al687 b:12.5 occ:1.00 OH A:TYR191 1.8 12.6 1.0 OH A:TYR92 1.8 11.8 1.0 O3 A:BCT688 1.9 13.8 1.0 OD1 A:ASP60 1.9 10.3 1.0 O1 A:BCT688 2.0 15.1 1.0 NE2 A:HIS250 2.1 14.9 1.0 C A:BCT688 2.3 13.9 1.0 CZ A:TYR92 2.9 13.6 1.0 CZ A:TYR191 2.9 16.5 1.0 CD2 A:HIS250 3.0 14.2 1.0 CG A:ASP60 3.1 13.3 1.0 CE1 A:HIS250 3.2 15.2 1.0 CE2 A:TYR92 3.4 10.6 1.0 O2 A:BCT688 3.5 12.0 1.0 CE1 A:TYR191 3.7 14.8 1.0 CB A:ASP60 3.8 13.1 1.0 O A:HOH707 3.9 15.0 1.0 CE2 A:TYR191 3.9 14.8 1.0 CE1 A:TYR92 4.0 10.1 1.0 OD2 A:ASP60 4.0 13.3 1.0 CG A:HIS250 4.2 16.0 1.0 ND1 A:HIS250 4.3 15.0 1.0 NZ A:LYS301 4.3 14.1 1.0 CB A:SER122 4.4 15.4 1.0 CA A:ASP60 4.5 15.3 1.0 NH2 A:ARG121 4.5 14.3 1.0 N A:ALA123 4.6 12.6 1.0 NE A:ARG121 4.8 15.6 1.0 CD2 A:TYR92 4.8 11.8 1.0 N A:SER122 4.8 12.8 1.0 OG A:SER122 4.9 14.8 1.0 CB A:ALA123 4.9 12.8 1.0 CD1 A:TYR191 5.0 14.8 1.0

Aluminium binding site 2 out of 2 in the Crystal Structure of Aluminum-Bound Ovotransferrin at 2.15 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Crystal Structure of Aluminum-Bound Ovotransferrin at 2.15 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Al689 b:21.7 occ:1.00 OH A:TYR524 1.7 21.5 1.0 OD1 A:ASP395 2.0 20.9 1.0 O3 A:BCT690 2.0 19.9 1.0 OH A:TYR431 2.0 20.8 1.0 O1 A:BCT690 2.0 17.2 1.0 NE2 A:HIS592 2.0 18.4 1.0 C A:BCT690 2.3 21.3 1.0 CZ A:TYR524 2.9 21.8 1.0 CE1 A:HIS592 3.0 17.6 1.0 CZ A:TYR431 3.0 21.3 1.0 CD2 A:HIS592 3.1 17.7 1.0 CG A:ASP395 3.1 17.1 1.0 CE2 A:TYR431 3.5 21.9 1.0 CE1 A:TYR524 3.5 21.5 1.0 O2 A:BCT690 3.6 18.5 1.0 CB A:ASP395 3.7 16.6 1.0 CE2 A:TYR524 3.8 22.0 1.0 CE A:LYS638 3.9 27.1 1.0 NZ A:LYS638 4.0 24.4 1.0 O A:HOH692 4.1 13.2 1.0 OD2 A:ASP395 4.1 19.1 1.0 ND1 A:HIS592 4.1 17.5 1.0 CE1 A:TYR431 4.1 20.8 1.0 CG A:HIS592 4.2 17.4 1.0 NH2 A:ARG460 4.3 19.9 1.0 CA A:ASP395 4.4 15.3 1.0 CB A:THR461 4.5 20.8 1.0 N A:ALA462 4.7 20.6 1.0 NE A:ARG460 4.7 22.9 1.0 CD2 A:TYR431 4.8 21.6 1.0 CD1 A:TYR524 4.9 22.0 1.0 N A:THR461 4.9 21.7 1.0 OG1 A:THR461 4.9 18.0 1.0 N A:GLY396 5.0 15.7 1.0 CZ A:ARG460 5.0 25.7 1.0 CB A:ALA462 5.0 20.7 1.0

K.Mizutani, B.Mikami, S.Aibara, M.Hirose. Structure of Aluminium-Bound Ovotransferrin at 2.15 Angstroms Resolution. Acta Crystallogr.,Sect.D V. 61 1636 2005.
ISSN: ISSN 0907-4449
PubMed: 16301797
DOI: 10.1107/S090744490503266X