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Cadmium in PDB 8kh2: Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42).

Protein crystallography data

The structure of Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42)., PDB code: 8kh2 was solved by B.Maity, J.Tian, S.Abe, T.Ueno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.69 / 2.00
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 181.935, 181.935, 181.935, 90, 90, 90
R / Rfree (%) 21.5 / 25.8

Other elements in 8kh2:

The structure of Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42). also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42). (pdb code 8kh2). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 9 binding sites of Cadmium where determined in the Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42)., PDB code: 8kh2:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Cadmium binding site 1 out of 9 in 8kh2

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Cadmium binding site 1 out of 9 in the Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42).


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 Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd301

b:33.2
occ:0.30
O A:HOH522 2.4 31.5 1.0
OD1 A:ASP38 2.7 12.0 1.0
SG A:CYS48 2.8 13.7 1.0
CG A:ASP38 3.4 10.2 1.0
CB A:CYS48 3.6 10.0 1.0
CB A:ASP38 3.6 8.8 1.0
CA A:ASP38 4.2 8.8 1.0
O A:HOH528 4.3 38.5 1.0
OD2 A:ASP38 4.5 10.6 1.0
CG A:GLU45 4.5 26.4 1.0
CA A:GLU45 4.8 12.4 1.0
N A:ASP38 4.9 8.5 1.0
CB A:GLU45 4.9 18.1 1.0
O A:GLU45 4.9 9.1 1.0

Cadmium binding site 2 out of 9 in 8kh2

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Cadmium binding site 2 out of 9 in the Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42).


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 Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd302

b:28.1
occ:0.20
OE1 A:GLU56 2.1 39.5 1.0
OE2 A:GLU53 2.3 68.7 1.0
OE1 A:GLU53 2.9 65.1 1.0
CD A:GLU53 3.0 49.6 1.0
CD A:GLU56 3.2 33.0 1.0
OE2 A:GLU56 3.5 39.2 1.0
CG A:GLU53 4.5 30.1 1.0
CG A:GLU56 4.6 25.9 1.0
CD A:CD308 4.7 25.4 0.2
O A:HOH436 4.9 38.6 1.0

Cadmium binding site 3 out of 9 in 8kh2

Go back to Cadmium Binding Sites List in 8kh2
Cadmium binding site 3 out of 9 in the Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42).


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 Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd303

b:36.4
occ:0.17
OE1 A:GLU130 2.2 33.5 1.0
CD A:CD306 2.4 38.4 0.2
CD A:GLU130 3.2 20.4 1.0
OE2 A:GLU130 3.5 19.0 1.0
CD A:CD304 4.4 40.5 0.1
CG A:GLU130 4.6 19.5 1.0
CB A:GLU130 5.0 20.0 1.0

Cadmium binding site 4 out of 9 in 8kh2

Go back to Cadmium Binding Sites List in 8kh2
Cadmium binding site 4 out of 9 in the Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42).


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 Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd304

b:40.5
occ:0.12
OD1 A:ASP127 3.4 21.3 1.0
OE1 A:GLU130 4.3 33.5 1.0
CD A:CD303 4.4 36.4 0.2
OG A:SER131 4.4 30.0 1.0
CG A:ASP127 4.6 18.6 1.0

Cadmium binding site 5 out of 9 in 8kh2

Go back to Cadmium Binding Sites List in 8kh2
Cadmium binding site 5 out of 9 in the Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42).


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd305

b:21.3
occ:0.50
OD2 A:ASP80 2.0 11.3 1.0
OD1 A:ASP80 2.6 12.5 1.0
CG A:ASP80 2.7 13.8 1.0
CL A:CL313 2.7 36.7 1.0
CB A:ASP80 4.2 14.4 1.0
O A:HOH467 4.3 18.3 1.0
O A:HOH488 4.5 20.1 1.0

Cadmium binding site 6 out of 9 in 8kh2

Go back to Cadmium Binding Sites List in 8kh2
Cadmium binding site 6 out of 9 in the Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42).


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd306

b:38.4
occ:0.20
CD A:CD303 2.4 36.4 0.2
OE2 A:GLU130 3.0 19.0 1.0
OE1 A:GLU130 3.3 33.5 1.0
CD A:GLU130 3.5 20.4 1.0
CG A:GLU130 4.9 19.5 1.0

Cadmium binding site 7 out of 9 in 8kh2

Go back to Cadmium Binding Sites List in 8kh2
Cadmium binding site 7 out of 9 in the Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42).


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd307

b:13.8
occ:0.20
O A:HOH475 2.1 28.1 1.0
NE2 A:HIS132 2.2 27.0 1.0
O A:HOH538 2.5 40.5 1.0
CE1 A:HIS132 2.8 29.2 1.0
CD2 A:HIS132 3.5 24.2 1.0
ND1 A:HIS132 4.1 26.8 1.0
CG A:HIS132 4.4 20.3 1.0
NH2 A:ARG64 4.8 44.6 1.0

Cadmium binding site 8 out of 9 in 8kh2

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Cadmium binding site 8 out of 9 in the Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42).


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 8 of Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd308

b:25.4
occ:0.20
CD A:CD309 2.2 31.9 0.2
OE2 A:GLU60 2.2 35.8 1.0
OE2 A:GLU56 2.7 39.2 1.0
OE1 A:GLU60 2.8 31.5 1.0
CD A:GLU60 2.8 29.0 1.0
CD A:GLU56 3.1 33.0 1.0
CG A:GLU56 3.6 25.9 1.0
OE1 A:GLU56 3.6 39.5 1.0
CG A:GLU60 4.3 21.1 1.0
CD A:CD302 4.7 28.1 0.2
O A:HOH436 5.0 38.6 1.0
CB A:GLU56 5.0 16.6 1.0

Cadmium binding site 9 out of 9 in 8kh2

Go back to Cadmium Binding Sites List in 8kh2
Cadmium binding site 9 out of 9 in the Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42).


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 9 of Crystal Structure of Horse-Spleen L-Ferritin Fused with Amyloid Beta Peptide (1-42). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd309

b:31.9
occ:0.20
CD A:CD308 2.2 25.4 0.2
OE1 A:GLU60 2.4 31.5 1.0
CD A:GLU60 3.3 29.0 1.0
OE2 A:GLU60 3.5 35.8 1.0
O A:HOH436 4.2 38.6 1.0
CG A:GLU57 4.6 32.7 1.0
CG A:GLU60 4.7 21.1 1.0
CD A:GLU56 4.8 33.0 1.0
OE2 A:GLU56 4.8 39.2 1.0
CG A:GLU56 4.9 25.9 1.0

Reference:

B.Maity, S.Kameyama, J.Tian, T.T.Pham, S.Abe, E.Chatani, K.Murata, T.Ueno. Fusion of Amyloid Beta with Ferritin Yields An Isolated Oligomeric Beta-Sheet-Rich Aggregate Inside the Ferritin Cage. Biomater Sci 2024.
ISSN: ISSN 2047-4849
PubMed: 38511491
DOI: 10.1039/D4BM00173G
Page generated: Fri Jul 19 20:34:59 2024

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