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Cadmium in PDB 6cq8: K2P2.1(Trek-1):ML335 Complex

Protein crystallography data

The structure of K2P2.1(Trek-1):ML335 Complex, PDB code: 6cq8 was solved by M.Lolicato, D.L.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.95 / 3.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.074, 119.386, 128.179, 90.00, 90.00, 90.00
R / Rfree (%) 25.7 / 27.7

Other elements in 6cq8:

The structure of K2P2.1(Trek-1):ML335 Complex also contains other interesting chemical elements:

Potassium (K) 6 atoms
Chlorine (Cl) 4 atoms

Cadmium Binding Sites:

The binding sites of Cadmium atom in the K2P2.1(Trek-1):ML335 Complex (pdb code 6cq8). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 3 binding sites of Cadmium where determined in the K2P2.1(Trek-1):ML335 Complex, PDB code: 6cq8:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in 6cq8

Go back to Cadmium Binding Sites List in 6cq8
Cadmium binding site 1 out of 3 in the K2P2.1(Trek-1):ML335 Complex


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of K2P2.1(Trek-1):ML335 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd404

b:0.8
occ:1.00
CE1 B:HIS126 3.2 0.8 1.0
OD1 B:ASP263 3.7 0.4 1.0
OD2 B:ASP263 3.8 0.1 1.0
NE2 B:HIS126 3.9 0.9 1.0
CG B:ASP263 4.1 0.1 1.0
ND1 B:HIS126 4.1 0.2 1.0
O B:GLY261 4.6 0.3 1.0
CD1 B:ILE115 4.6 0.3 1.0

Cadmium binding site 2 out of 3 in 6cq8

Go back to Cadmium Binding Sites List in 6cq8
Cadmium binding site 2 out of 3 in the K2P2.1(Trek-1):ML335 Complex


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of K2P2.1(Trek-1):ML335 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd405

b:0.9
occ:1.00
CE1 B:HIS313 2.6 0.2 1.0
OE1 B:GLU309 2.9 0.2 1.0
ND1 B:HIS313 3.1 0.5 1.0
NE2 B:HIS313 3.4 0.6 1.0
CB B:ALA312 3.4 0.1 1.0
CD B:GLU309 3.5 0.5 1.0
OE2 B:GLU309 3.8 0.8 1.0
CA B:GLU309 3.9 0.4 1.0
O B:GLU309 4.0 0.3 1.0
CG B:HIS313 4.0 0.0 1.0
CD2 B:HIS313 4.2 0.4 1.0
CB B:GLU309 4.3 0.2 1.0
C B:GLU309 4.5 0.7 1.0
CG B:GLU309 4.5 0.1 1.0
C B:ALA312 4.6 0.6 1.0
CA B:ALA312 4.6 0.8 1.0
N B:HIS313 4.8 0.6 1.0
O B:ALA312 4.9 0.3 1.0
N B:GLU309 5.0 0.9 1.0

Cadmium binding site 3 out of 3 in 6cq8

Go back to Cadmium Binding Sites List in 6cq8
Cadmium binding site 3 out of 3 in the K2P2.1(Trek-1):ML335 Complex


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of K2P2.1(Trek-1):ML335 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd406

b:0.7
occ:0.61
OD2 B:ASP128 2.8 0.6 1.0
CG B:ASP128 3.5 0.7 1.0
OD1 B:ASP128 3.6 0.7 1.0
OG B:SER131 3.9 88.4 1.0
NZ B:LYS271 4.0 95.8 1.0
CA B:GLY130 4.0 0.3 1.0
N B:SER131 4.1 0.3 1.0
N B:GLY130 4.2 0.7 1.0
C B:GLY130 4.3 0.8 1.0
C16 B:Q6F410 4.7 90.1 1.0
H312 B:R16412 4.8 0.3 1.0
CB B:SER131 4.8 88.4 1.0
CB B:ASP128 4.9 0.3 1.0
CA B:SER131 4.9 94.4 1.0

Reference:

M.Lolicato, C.Arrigoni, T.Mori, Y.Sekioka, C.Bryant, K.A.Clark, D.L.Minor. K2P2.1 (Trek-1)-Activator Complexes Reveal A Cryptic Selectivity Filter Binding Site. Nature V. 547 364 2017.
ISSN: ESSN 1476-4687
PubMed: 28693035
DOI: 10.1038/NATURE22988
Page generated: Sat Dec 12 08:28:13 2020

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