Cadmium in PDB 7hi8: Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury, PDB code: 7hi8 was solved by J.A.Newman, A.E.Gavard, L.Sherestha, N.A.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.89 / 1.54
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	60.318, 60.318, 110.014, 90, 90, 90
R / Rfree (%)	22.7 / 24.1

The binding sites of Cadmium atom in the Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury (pdb code 7hi8). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 5 binding sites of Cadmium where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury, PDB code: 7hi8:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5;

Cadmium binding site 1 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd301 b:21.3 occ:0.50 OE1 A:GLU167 2.5 22.4 1.0 SG A:CYS186 2.7 22.5 0.5 O A:HOH460 2.7 16.9 0.5 SG A:CYS186 2.8 18.8 0.5 CB A:CYS186 3.4 23.7 0.5 CB A:CYS186 3.5 23.5 0.5 CD A:CD302 3.7 22.6 1.0 CD A:GLU167 3.7 20.4 1.0 O A:HOH436 3.9 26.4 1.0 OE2 A:GLU167 4.4 19.2 1.0 CG A:GLU167 4.7 21.1 1.0 CA A:CYS186 4.9 21.9 0.5 CA A:CYS186 4.9 21.9 0.5 O A:HOH461 4.9 19.1 1.0

Cadmium binding site 2 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd302 b:22.6 occ:1.00 OE2 A:GLU167 2.3 19.2 1.0 OE1 A:GLU167 2.7 22.4 1.0 CD A:GLU167 2.8 20.4 1.0 CD A:CD301 3.7 21.3 0.5 NE2 A:GLN191 3.9 30.6 1.0 CG A:GLU167 4.3 21.1 1.0 CG A:PRO188 4.4 25.8 1.0 CB A:PRO188 4.6 23.9 1.0 SG A:CYS186 4.8 18.8 0.5 CB A:GLU167 4.9 18.9 1.0

Cadmium binding site 3 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd303 b:83.2 occ:1.00 O A:HOH449 2.7 43.2 1.0 SG A:CYS122 2.9 58.1 1.0 O A:HOH474 3.0 56.4 1.0 O A:HOH448 3.1 54.9 1.0 CB A:CYS122 3.6 39.3 1.0 CD A:CD305 3.9 78.0 1.0 O A:HOH475 4.4 56.8 1.0 O A:GLN157 4.6 42.1 1.0 O A:HOH438 4.7 40.0 1.0

Cadmium binding site 4 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd304 b:31.3 occ:1.00 O A:HOH463 2.4 23.6 1.0 NE2 A:HIS100 2.4 33.3 1.0 O A:HOH462 2.5 29.3 1.0 CD2 A:HIS100 3.2 34.8 1.0 CE1 A:HIS100 3.5 42.8 1.0 O A:HOH435 3.7 29.4 1.0 CB A:PRO115 4.4 46.7 1.0 CG A:HIS100 4.4 33.8 1.0 CG A:PRO115 4.5 46.7 1.0 ND1 A:HIS100 4.6 38.3 1.0

Cadmium binding site 5 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Pandda Analysis Group Deposition -- Crystal Structure of Ground State Model of Human Brachyury within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd305 b:78.0 occ:1.00 O A:HOH452 2.8 36.4 1.0 O A:HOH475 2.9 56.8 1.0 SG A:CYS122 3.1 58.1 1.0 O A:HOH474 3.1 56.4 1.0 CB A:CYS122 3.5 39.3 1.0 CD A:CD303 3.9 83.2 1.0 CA A:CYS122 4.1 36.4 1.0

J.A.Newman, A.E.Gavard, L.Sherestha, N.A.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi. Pandda Analysis Group Deposition To Be Published.