Cadmium in PDB 6ec0: Crystal Structure of the Wild-Type Heterocomplex Between Coil 1B Domains of Human Intermediate Filament Proteins Keratin 1 (KRT1) and Keratin 10 (KRT10)

The structure of Crystal Structure of the Wild-Type Heterocomplex Between Coil 1B Domains of Human Intermediate Filament Proteins Keratin 1 (KRT1) and Keratin 10 (KRT10), PDB code: 6ec0 was solved by S.A.Eldirany, I.B.Lomakin, C.G.Bunick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.20 / 2.98
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	106.685, 106.685, 70.321, 90.00, 90.00, 120.00
R / Rfree (%)	28.1 / 30

The structure of Crystal Structure of the Wild-Type Heterocomplex Between Coil 1B Domains of Human Intermediate Filament Proteins Keratin 1 (KRT1) and Keratin 10 (KRT10) also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Cobalt	(Co)	2 atoms

The binding sites of Cadmium atom in the Crystal Structure of the Wild-Type Heterocomplex Between Coil 1B Domains of Human Intermediate Filament Proteins Keratin 1 (KRT1) and Keratin 10 (KRT10) (pdb code 6ec0). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the Crystal Structure of the Wild-Type Heterocomplex Between Coil 1B Domains of Human Intermediate Filament Proteins Keratin 1 (KRT1) and Keratin 10 (KRT10), PDB code: 6ec0:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in the Crystal Structure of the Wild-Type Heterocomplex Between Coil 1B Domains of Human Intermediate Filament Proteins Keratin 1 (KRT1) and Keratin 10 (KRT10)


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of the Wild-Type Heterocomplex Between Coil 1B Domains of Human Intermediate Filament Proteins Keratin 1 (KRT1) and Keratin 10 (KRT10) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd401 b:0.4 occ:1.00 HE1 B:HIS287 2.3 0.5 1.0 OE2 A:GLU322 2.6 89.5 1.0 CE1 B:HIS287 2.9 0.8 1.0 CD A:GLU322 3.5 91.4 1.0 NE2 B:HIS287 3.6 0.6 1.0 OE1 A:GLU322 3.7 93.1 1.0 ND1 B:HIS287 3.7 0.2 1.0 HD1 B:HIS287 3.9 0.6 1.0 HE1 A:TYR319 4.0 0.5 1.0 CD2 B:HIS287 4.7 0.5 1.0 CG B:HIS287 4.8 1.0 1.0 CE1 A:TYR319 4.8 90.4 1.0 CG A:GLU322 4.9 92.0 1.0

Cadmium binding site 2 out of 4 in the Crystal Structure of the Wild-Type Heterocomplex Between Coil 1B Domains of Human Intermediate Filament Proteins Keratin 1 (KRT1) and Keratin 10 (KRT10)


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of the Wild-Type Heterocomplex Between Coil 1B Domains of Human Intermediate Filament Proteins Keratin 1 (KRT1) and Keratin 10 (KRT10) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd402 b:92.6 occ:1.00 OD2 A:ASP265 2.6 94.0 1.0 OD2 A:ASP261 2.7 0.3 1.0 CG A:ASP265 3.5 86.2 1.0 CG A:ASP261 3.8 1.0 1.0 OD1 A:ASP265 3.9 84.0 1.0 OD1 A:ASP261 4.3 0.7 1.0 HA A:MET262 4.5 0.6 1.0 HB2 A:ASP265 4.6 0.5 1.0 O A:ASP261 4.6 0.1 1.0 CB A:ASP265 4.6 86.3 1.0 C A:ASP261 4.9 0.4 1.0 HB3 A:ASP261 5.0 0.3 1.0 HB3 A:ASP265 5.0 0.5 1.0 CB A:ASP261 5.0 0.4 1.0

Cadmium binding site 3 out of 4 in the Crystal Structure of the Wild-Type Heterocomplex Between Coil 1B Domains of Human Intermediate Filament Proteins Keratin 1 (KRT1) and Keratin 10 (KRT10)


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Crystal Structure of the Wild-Type Heterocomplex Between Coil 1B Domains of Human Intermediate Filament Proteins Keratin 1 (KRT1) and Keratin 10 (KRT10) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd403 b:0.4 occ:1.00 HE2 A:MET225 2.4 1.0 1.0 O A:MET225 2.6 0.3 1.0 SD A:MET225 2.8 89.8 1.0 C A:MET225 2.9 0.6 1.0 HG2 A:MET225 2.9 0.9 1.0 CE A:MET225 3.0 91.7 1.0 N A:MET225 3.2 0.9 1.0 CG A:MET225 3.3 89.9 1.0 HA A:ASN226 3.3 0.7 1.0 HE1 A:MET225 3.3 1.0 1.0 CA A:MET225 3.4 0.7 1.0 N A:ASN226 3.5 0.5 1.0 CB A:MET225 3.8 89.9 1.0 HE3 A:MET225 3.8 1.0 1.0 OE2 A:GLU228 3.8 0.1 1.0 CA A:ASN226 3.9 0.6 1.0 HB2 A:MET225 4.0 0.9 1.0 H A:ASN226 4.1 0.8 1.0 HG3 A:MET225 4.2 0.9 1.0 OE1 A:GLU228 4.2 0.1 1.0 HA A:MET225 4.3 0.2 1.0 HB2 A:ASN226 4.4 0.3 1.0 HD12 A:LEU227 4.5 0.3 1.0 CD A:GLU228 4.5 0.2 1.0 H A:LEU227 4.5 0.9 1.0 HB3 A:MET225 4.6 0.9 1.0 HD22 A:ASN226 4.8 0.9 1.0 CB A:ASN226 4.8 0.9 1.0

Cadmium binding site 4 out of 4 in the Crystal Structure of the Wild-Type Heterocomplex Between Coil 1B Domains of Human Intermediate Filament Proteins Keratin 1 (KRT1) and Keratin 10 (KRT10)


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Crystal Structure of the Wild-Type Heterocomplex Between Coil 1B Domains of Human Intermediate Filament Proteins Keratin 1 (KRT1) and Keratin 10 (KRT10) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd301 b:0.0 occ:1.00 OE1 A:GLU283 2.8 0.5 1.0 OE2 B:GLU249 3.0 0.8 1.0 OE1 B:GLU249 3.0 0.6 1.0 CD B:GLU249 3.0 0.0 1.0 HD12 B:ILE252 3.7 0.7 1.0 HG3 B:GLU249 3.9 0.4 1.0 CD A:GLU283 4.0 0.6 1.0 CG B:GLU249 4.0 0.2 1.0 HG21 B:ILE252 4.2 0.8 1.0 HB2 B:GLU249 4.3 0.5 1.0 HD13 B:ILE252 4.5 0.7 1.0 HB2 A:GLU283 4.5 0.5 1.0 HA B:GLU249 4.5 0.5 1.0 HB3 A:GLU283 4.5 0.5 1.0 CD1 B:ILE252 4.5 97.2 1.0 HA A:ALA280 4.6 0.0 1.0 OE2 A:GLU283 4.7 0.3 1.0 CB B:GLU249 4.7 0.1 1.0 HB1 A:ALA280 4.8 0.4 1.0 HG2 B:GLU249 4.8 0.4 1.0 HB2 A:ALA280 4.9 0.4 1.0 CB A:GLU283 4.9 0.9 1.0 HH22 B:ARG245 4.9 0.8 1.0

S.A.Eldirany, M.Ho, A.J.Hinbest, I.B.Lomakin, C.G.Bunick. Human Keratin 1/10-1B Tetramer Structures Reveal A Knob-Pocket Mechanism in Intermediate Filament Assembly. Embo J. V. 38 2019.
ISSN: ESSN 1460-2075
PubMed: 31036554
DOI: 10.15252/EMBJ.2018100741