Zinc in PDB 3mdb: Crystal Structure of the Ternary Complex of Full Length Centaurin Alpha-1, KIF13B Fha Domain, and IP4

The structure of Crystal Structure of the Ternary Complex of Full Length Centaurin Alpha-1, KIF13B Fha Domain, and IP4, PDB code: 3mdb was solved by L.Shen, Y.Tong, W.Tempel, F.Mackenzie, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, A.Bochkarev, H.Park, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.44 / 2.95
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	115.797, 115.797, 189.269, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 27.7

The binding sites of Zinc atom in the Crystal Structure of the Ternary Complex of Full Length Centaurin Alpha-1, KIF13B Fha Domain, and IP4 (pdb code 3mdb). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Ternary Complex of Full Length Centaurin Alpha-1, KIF13B Fha Domain, and IP4, PDB code: 3mdb:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Ternary Complex of Full Length Centaurin Alpha-1, KIF13B Fha Domain, and IP4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Ternary Complex of Full Length Centaurin Alpha-1, KIF13B Fha Domain, and IP4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn401 b:38.6 occ:1.00 SG C:CYS24 2.1 35.8 1.0 SG C:CYS44 2.1 27.9 1.0 SG C:CYS41 2.2 34.5 1.0 SG C:CYS21 2.3 38.9 1.0 CB C:CYS24 3.1 34.9 1.0 CB C:CYS21 3.2 36.4 1.0 CB C:CYS44 3.3 31.4 1.0 CB C:CYS41 3.5 35.5 1.0 N C:CYS24 3.7 34.9 1.0 CA C:CYS24 3.9 35.0 1.0 N C:CYS41 4.1 35.5 1.0 N C:CYS44 4.3 33.9 1.0 CA C:CYS44 4.4 33.2 1.0 CA C:CYS41 4.4 35.1 1.0 CB C:ALA26 4.4 38.0 1.0 C C:CYS24 4.6 35.9 1.0 CA C:CYS21 4.6 35.4 1.0 N C:ALA26 4.7 39.4 1.0 N C:GLY25 4.8 36.6 1.0 C C:ASP23 4.8 34.0 1.0 C C:CYS41 5.0 36.1 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Ternary Complex of Full Length Centaurin Alpha-1, KIF13B Fha Domain, and IP4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Ternary Complex of Full Length Centaurin Alpha-1, KIF13B Fha Domain, and IP4 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn401 b:68.3 occ:1.00 SG D:CYS24 2.0 60.7 1.0 SG D:CYS21 2.2 63.0 1.0 SG D:CYS44 2.2 57.2 1.0 SG D:CYS41 2.4 65.3 1.0 CB D:CYS44 3.1 58.3 1.0 CB D:CYS21 3.2 65.0 1.0 CB D:CYS41 3.2 65.5 1.0 CB D:CYS24 3.3 62.3 1.0 N D:CYS41 3.6 65.3 1.0 N D:CYS24 3.6 61.4 1.0 CA D:CYS41 4.0 65.2 1.0 CA D:CYS24 4.0 62.9 1.0 N D:CYS44 4.2 58.3 1.0 CA D:CYS44 4.3 58.3 1.0 C D:CYS24 4.6 65.7 1.0 CA D:CYS21 4.6 66.4 1.0 C D:CYS41 4.7 65.4 1.0 N D:GLY25 4.7 68.7 1.0 CB D:ASP23 4.7 56.8 1.0 C D:ILE40 4.7 65.2 1.0 C D:ASP23 4.7 59.5 1.0 N D:ASP23 4.9 60.0 1.0 CB D:ALA26 4.9 77.1 1.0 CB D:ILE40 4.9 65.8 1.0 CA D:ILE40 4.9 66.2 1.0 O D:CYS41 4.9 65.8 1.0 N D:ALA26 5.0 75.7 1.0

L.Shen, Y.Tong, W.Tempel, F.Mackenzie, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, A.Bochkarev, H.Park. Crystal Structure of the Ternary Complex of Full Length Centaurin Alpha-1, KIF13B Fha Domain, and IP4 To Be Published.