Cadmium in PDB 5okf: CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides

The structure of CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides, PDB code: 5okf was solved by N.N.Sluchanko, K.V.Tugaeva, S.J.Greive, A.A.Antson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 3.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.399, 97.760, 158.831, 90.00, 90.00, 90.00
R / Rfree (%)	24.7 / 27.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Cadmium atom in the CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides (pdb code 5okf). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 17 binding sites of Cadmium where determined in the CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides, PDB code: 5okf:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Cadmium binding site 1 out of 17 in the CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd301 b:0.1 occ:1.00 OE2 A:GLU115 2.3 92.2 1.0 CD A:GLU115 3.1 0.6 1.0 OE1 A:GLU115 3.3 0.8 1.0 CB A:CSO38 3.5 82.1 1.0 HH22 A:ARG41 3.8 0.9 1.0 OD A:CSO38 4.0 83.4 1.0 HH21 A:ARG41 4.0 0.8 1.0 CD A:CD304 4.0 0.7 1.0 SG A:CSO38 4.2 83.6 1.0 NH2 A:ARG41 4.2 0.7 1.0 CG A:GLU115 4.5 87.3 1.0 HG3 A:GLU115 4.7 87.0 1.0 CA A:CSO38 4.7 81.9 1.0 O A:HOH403 4.7 13.2 1.0 HG2 A:GLU115 4.7 86.2 1.0

Cadmium binding site 2 out of 17 in the CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd302 b:97.5 occ:1.00 OE2 A:GLU110 2.2 0.3 1.0 ND1 A:HIS106 2.4 91.5 1.0 OD1 D:ASP139 2.5 83.1 1.0 HA2 A:GLY33 2.7 1.0 1.0 CD A:GLU110 3.0 0.3 1.0 CE1 A:HIS106 3.1 91.2 1.0 HE1 A:HIS106 3.2 93.0 1.0 HH21 D:ARG142 3.2 99.8 1.0 OE1 A:GLU110 3.2 0.9 1.0 HA A:HIS106 3.3 85.8 1.0 CG A:HIS106 3.5 87.2 1.0 CG D:ASP139 3.5 83.0 1.0 HB3 A:HIS106 3.6 82.5 1.0 CA A:GLY33 3.8 0.4 1.0 O A:GLY33 3.8 0.2 1.0 CB A:HIS106 3.9 82.7 1.0 HE D:ARG142 4.0 0.7 1.0 NH2 D:ARG142 4.0 0.8 1.0 HA3 A:GLY33 4.1 0.8 1.0 CA A:HIS106 4.1 83.7 1.0 OD2 D:ASP139 4.2 94.7 1.0 C A:GLY33 4.3 0.9 1.0 O A:HIS106 4.3 88.2 1.0 HB2 D:ASP139 4.3 70.5 1.0 NE2 A:HIS106 4.3 89.5 1.0 CG A:GLU110 4.4 0.3 1.0 HH22 D:ARG142 4.5 0.5 1.0 CD2 A:HIS106 4.5 87.9 1.0 HG3 A:GLU110 4.5 0.1 1.0 O A:VAL30 4.5 87.6 1.0 CB D:ASP139 4.6 69.0 1.0 NE D:ARG142 4.7 0.4 1.0 C A:HIS106 4.7 86.3 1.0 N A:GLY33 4.7 0.6 1.0 CZ D:ARG142 4.7 0.1 1.0 H A:GLY33 4.7 98.4 1.0 O A:SER105 4.8 92.9 1.0 HG2 A:GLU110 4.9 0.5 1.0 HD2 A:LYS109 5.0 0.4 1.0 HB2 A:HIS106 5.0 80.6 1.0

Cadmium binding site 3 out of 17 in the CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd303 b:0.6 occ:1.00 HH12 A:ARG85 2.4 0.6 1.0 OE2 A:GLU89 2.9 89.9 1.0 HG2 A:GLU86 3.2 81.2 1.0 NH1 A:ARG85 3.3 0.9 1.0 HH11 A:ARG85 3.6 0.5 1.0 CD A:GLU89 3.8 85.8 1.0 HH22 A:ARG85 3.9 0.4 1.0 OE1 A:GLU89 4.0 46.5 1.0 CG A:GLU86 4.2 80.3 1.0 HG3 A:GLU86 4.4 80.1 1.0 CZ A:ARG85 4.4 0.9 1.0 OE2 A:GLU86 4.4 0.0 1.0 HG23 A:THR136 4.4 86.3 1.0 NH2 A:ARG85 4.5 0.9 1.0 HG21 A:THR136 4.6 88.7 1.0 HA A:GLU86 4.7 57.8 1.0 CD A:GLU86 4.8 0.4 1.0 HZ3 D:LYS32 4.9 0.3 1.0 HG3 D:PRO-1 5.0 0.3 1.0

Cadmium binding site 4 out of 17 in the CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd304 b:0.7 occ:1.00 SG A:CSO38 3.4 83.6 1.0 OE1 A:GLU115 3.7 0.8 1.0 O A:HOH401 3.8 22.9 1.0 OD A:CSO38 3.8 83.4 1.0 HH22 A:ARG41 4.0 0.9 1.0 CD A:CD301 4.0 0.1 1.0 CB A:CSO38 4.3 82.1 1.0 HH12 A:ARG41 4.6 0.3 1.0 CD A:GLU115 4.7 0.6 1.0 OE2 A:GLU115 4.9 92.2 1.0 NH2 A:ARG41 5.0 0.7 1.0 N A:CSO38 5.0 84.2 1.0

Cadmium binding site 5 out of 17 in the CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd305 b:0.2 occ:1.00 HE2 D:HIS106 1.9 61.4 1.0 OD2 A:ASP97 2.6 98.8 1.0 NE2 D:HIS106 2.8 61.0 1.0 HG2 D:GLU31 2.9 82.6 1.0 HD2 D:HIS106 3.2 56.8 1.0 CD2 D:HIS106 3.3 58.8 1.0 OE2 D:GLU31 3.4 0.3 1.0 CG A:ASP97 3.5 83.6 1.0 HD23 D:LEU102 3.7 57.6 1.0 OD1 A:ASP97 3.8 83.4 1.0 HG D:SER105 3.8 62.5 1.0 CG D:GLU31 3.8 81.1 1.0 CD D:GLU31 3.9 0.4 1.0 CE1 D:HIS106 4.0 62.7 1.0 OG D:SER105 4.1 63.2 1.0 HG3 D:GLU31 4.2 79.2 1.0 HE1 D:HIS106 4.4 65.1 1.0 HB3 A:GLN93 4.5 69.8 1.0 CD2 D:LEU102 4.5 56.2 1.0 CG D:HIS106 4.6 57.7 1.0 HD21 D:LEU102 4.6 56.5 1.0 HD22 D:LEU102 4.7 56.9 1.0 HZ3 D:LYS27 4.7 86.7 1.0 CB A:ASP97 4.7 64.4 1.0 HB3 A:ASP97 4.8 66.3 1.0 OE1 D:GLU31 4.9 91.1 1.0 HA D:LEU102 4.9 45.9 1.0 ND1 D:HIS106 4.9 62.5 1.0 HB3 D:GLU31 4.9 72.7 1.0 HA D:GLU31 5.0 69.4 1.0

Cadmium binding site 6 out of 17 in the CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd301 b:0.3 occ:1.00 OE2 B:GLU110 1.9 0.4 1.0 OD2 C:ASP139 2.6 95.5 1.0 ND1 B:HIS106 2.6 78.5 1.0 CD B:GLU110 2.9 0.8 1.0 HA B:HIS106 3.2 73.9 1.0 CE1 B:HIS106 3.3 78.5 1.0 HA2 B:GLY33 3.3 82.8 1.0 CG C:ASP139 3.3 88.5 1.0 OD1 C:ASP139 3.4 89.0 1.0 OE1 B:GLU110 3.4 0.8 1.0 HE1 B:HIS106 3.4 80.2 1.0 CG B:HIS106 3.6 75.1 1.0 HH21 C:ARG142 3.6 87.9 1.0 HB3 B:HIS106 3.8 70.0 1.0 CB B:HIS106 4.0 70.5 1.0 CA B:HIS106 4.1 71.5 1.0 CG B:GLU110 4.2 0.6 1.0 HG3 B:GLU110 4.2 0.7 1.0 O B:GLY33 4.3 90.6 1.0 CA B:GLY33 4.3 83.0 1.0 HD2 B:LYS109 4.4 0.2 1.0 NE2 B:HIS106 4.5 77.5 1.0 NH2 C:ARG142 4.5 90.0 1.0 HE C:ARG142 4.5 92.9 1.0 O B:HIS106 4.5 72.6 1.0 O B:SER105 4.5 80.4 1.0 HA3 B:GLY33 4.6 85.3 1.0 HG2 B:GLU110 4.6 0.2 1.0 CD2 B:HIS106 4.6 76.2 1.0 C B:HIS106 4.8 71.6 1.0 CB C:ASP139 4.8 78.1 1.0 C B:GLY33 4.8 89.9 1.0 HH22 C:ARG142 4.9 93.0 1.0 HB2 C:ASP139 5.0 76.7 1.0

Cadmium binding site 7 out of 17 in the CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd302 b:0.8 occ:1.00 HE2 B:HIS106 2.1 77.5 1.0 NE2 B:HIS106 3.0 77.5 1.0 OD2 C:ASP97 3.0 76.5 1.0 HG2 B:GLU31 3.2 74.2 1.0 HD2 B:HIS106 3.2 74.8 1.0 CD2 B:HIS106 3.5 76.2 1.0 HG B:SER105 3.7 87.2 1.0 CG C:ASP97 3.7 69.3 1.0 OD1 C:ASP97 3.7 72.6 1.0 OE2 B:GLU31 3.8 0.3 1.0 OG B:SER105 4.0 87.5 1.0 CG B:GLU31 4.1 73.1 1.0 CE1 B:HIS106 4.2 78.5 1.0 CD B:GLU31 4.2 0.3 1.0 HD23 B:LEU102 4.3 65.6 1.0 HG3 B:GLU31 4.6 70.9 1.0 HB3 C:GLN93 4.6 50.5 1.0 HE1 B:HIS106 4.6 80.2 1.0 CG B:HIS106 4.8 75.1 1.0 HB2 B:SER105 4.8 81.8 1.0

Cadmium binding site 8 out of 17 in the CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 8 of CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd303 b:0.5 occ:1.00 NE2 C:HIS106 2.9 68.9 1.0 OD2 B:ASP97 2.9 87.2 1.0 HG2 C:GLU31 3.0 73.6 1.0 OE2 C:GLU31 3.6 0.3 1.0 HE1 C:HIS106 3.6 72.8 1.0 CG B:ASP97 3.6 73.6 1.0 CE1 C:HIS106 3.6 70.7 1.0 OD1 B:ASP97 3.6 71.6 1.0 CG C:GLU31 3.9 72.1 1.0 CD2 C:HIS106 3.9 67.4 1.0 CD C:GLU31 4.0 0.4 1.0 HG C:SER105 4.0 73.4 1.0 HD2 C:HIS106 4.3 65.8 1.0 OG C:SER105 4.3 74.2 1.0 HG3 C:GLU31 4.4 70.2 1.0 HB3 B:GLN93 4.6 65.2 1.0 HD23 C:LEU102 4.7 50.4 1.0 ND1 C:HIS106 4.8 71.1 1.0 OE1 C:GLU31 4.9 0.0 1.0 HB3 C:GLU31 4.9 66.5 1.0 HZ3 C:LYS27 4.9 69.4 1.0 CG C:HIS106 4.9 66.6 1.0 CB B:ASP97 5.0 59.1 1.0 HD22 B:LEU131 5.0 55.2 1.0

Cadmium binding site 9 out of 17 in the CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 9 of CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd304 b:0.7 occ:1.00 OE2 B:GLU115 2.8 73.5 1.0 SG B:CSO38 3.2 47.5 1.0 CB B:CSO38 3.2 49.9 1.0 HH22 B:ARG41 3.3 79.7 1.0 CD B:GLU115 3.6 95.3 1.0 OE1 B:GLU115 3.6 97.1 1.0 HH21 B:ARG41 3.7 76.7 1.0 NH2 B:ARG41 3.8 78.0 1.0 CA B:CSO38 3.9 53.1 1.0 OD B:CSO38 4.5 46.8 1.0 CD B:CD305 4.7 0.9 1.0 O B:HOH406 4.7 11.4 1.0 N B:CSO38 4.9 55.3 1.0

Cadmium binding site 10 out of 17 in the CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 10 of CH1 Chimera of Human 14-3-3 Sigma with the HSPB6 Phosphopeptide in A Conformation with Self-Bound Phosphopeptides within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd305 b:0.9 occ:1.00 OE1 B:GLU115 3.1 97.1 1.0 OD2 B:ASP113 3.9 92.6 1.0 CD B:GLU115 4.1 95.3 1.0 SG B:CSO38 4.2 47.5 1.0 HH22 B:ARG41 4.3 79.7 1.0 HB3 B:GLU115 4.4 71.5 1.0 OE2 B:GLU115 4.7 73.5 1.0 CD B:CD304 4.7 0.7 1.0 HH12 B:ARG41 4.8 68.4 1.0 CG B:ASP113 4.8 88.3 1.0 OD B:CSO38 4.9 46.8 1.0

N.N.Sluchanko, K.V.Tugaeva, S.J.Greive, A.A.Antson. Chimeric 14-3-3 Proteins For Unraveling Interactions with Intrinsically Disordered Partners. Sci Rep V. 7 12014 2017.
ISSN: ESSN 2045-2322
PubMed: 28931924
DOI: 10.1038/S41598-017-12214-9