Zinc in PDB 9u78: Single Chain Protein of De Novo Designed Helix Bundles-4EH2 with Kdpv Loop

The structure of Single Chain Protein of De Novo Designed Helix Bundles-4EH2 with Kdpv Loop, PDB code: 9u78 was solved by G.M.Du, S.-Q.Zhang, L.J.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.06 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.748, 69.748, 55.048, 90, 104.8, 90
R / Rfree (%)	17.7 / 19.9

The binding sites of Zinc atom in the Single Chain Protein of De Novo Designed Helix Bundles-4EH2 with Kdpv Loop (pdb code 9u78). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Single Chain Protein of De Novo Designed Helix Bundles-4EH2 with Kdpv Loop, PDB code: 9u78:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Single Chain Protein of De Novo Designed Helix Bundles-4EH2 with Kdpv Loop


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Single Chain Protein of De Novo Designed Helix Bundles-4EH2 with Kdpv Loop within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:13.0 occ:1.00 OE2 A:GLU44 2.0 13.6 1.0 OE2 A:GLU14 2.0 10.8 1.0 OE2 A:GLU104 2.0 12.6 1.0 OE2 A:GLU74 2.1 12.6 1.0 CD A:GLU44 2.7 14.1 1.0 CD A:GLU104 2.7 12.3 1.0 CD A:GLU14 2.7 12.5 1.0 CD A:GLU74 2.7 15.6 1.0 OE1 A:GLU104 2.8 15.2 1.0 OE1 A:GLU44 2.8 11.9 1.0 OE1 A:GLU74 2.8 15.7 1.0 OE1 A:GLU14 2.8 12.0 1.0 ND1 A:HIS77 3.8 10.5 1.0 ND1 A:HIS17 3.9 10.4 1.0 ND1 A:HIS47 3.9 9.8 1.0 ND1 A:HIS107 4.0 12.6 1.0 CG A:GLU44 4.2 12.2 1.0 CG A:GLU104 4.2 12.9 1.0 CG A:GLU14 4.2 10.4 1.0 CG A:GLU74 4.2 11.7 1.0 CE1 A:HIS77 4.3 13.0 1.0 CE1 A:HIS17 4.3 11.3 1.0 CE1 A:HIS47 4.4 13.2 1.0 CE1 A:HIS107 4.4 12.2 1.0 CB A:GLU44 4.9 7.9 1.0 CB A:GLU104 5.0 11.0 1.0 CB A:GLU14 5.0 8.9 1.0 CB A:GLU74 5.0 13.8 1.0

Zinc binding site 2 out of 2 in the Single Chain Protein of De Novo Designed Helix Bundles-4EH2 with Kdpv Loop


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Single Chain Protein of De Novo Designed Helix Bundles-4EH2 with Kdpv Loop within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:13.2 occ:1.00 OE2 B:GLU44 2.0 13.8 1.0 OE2 B:GLU14 2.0 12.7 1.0 OE2 B:GLU104 2.0 13.6 1.0 OE2 B:GLU74 2.0 12.0 1.0 CD B:GLU74 2.7 15.6 1.0 CD B:GLU14 2.7 13.4 1.0 CD B:GLU44 2.7 16.3 1.0 CD B:GLU104 2.7 12.1 1.0 OE1 B:GLU74 2.8 15.7 1.0 OE1 B:GLU104 2.8 15.5 1.0 OE1 B:GLU14 2.8 13.4 1.0 OE1 B:GLU44 2.8 12.4 1.0 ND1 B:HIS77 3.9 11.5 1.0 ND1 B:HIS107 3.9 11.5 1.0 ND1 B:HIS47 3.9 9.8 1.0 ND1 B:HIS17 4.0 11.6 1.0 CG B:GLU74 4.2 12.3 1.0 CG B:GLU14 4.2 10.9 1.0 CG B:GLU104 4.2 13.0 1.0 CG B:GLU44 4.2 13.2 1.0 CE1 B:HIS77 4.3 11.6 1.0 CE1 B:HIS107 4.4 12.1 1.0 CE1 B:HIS47 4.4 11.0 1.0 CE1 B:HIS17 4.4 12.1 1.0 CB B:GLU14 4.9 10.7 1.0 CB B:GLU104 5.0 11.2 1.0 CB B:GLU74 5.0 12.1 1.0 CB B:GLU44 5.0 9.6 1.0

G.M.Du, S.-Q.Zhang, L.J.Liu. De Novo Design of Single Chain Metal Clusters in Helical Bundles To Be Published.