Zinc in PDB 8dsf: Structure of CIAP1 with Bccov

All present enzymatic activity of Structure of CIAP1 with Bccov:
2.3.2.27;

The structure of Structure of CIAP1 with Bccov, PDB code: 8dsf was solved by J.S.Schiemer, M.F.Calabrese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.52 / 1.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	28.99, 30.77, 118.63, 96.7, 90.22, 111.08
R / Rfree (%)	18.9 / 22.7

The binding sites of Zinc atom in the Structure of CIAP1 with Bccov (pdb code 8dsf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of CIAP1 with Bccov, PDB code: 8dsf:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of CIAP1 with Bccov


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of CIAP1 with Bccov within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:14.8 occ:1.00 NE2 A:HIS326 2.0 14.3 1.0 SG A:CYS333 2.3 16.0 1.0 SG A:CYS309 2.4 15.2 1.0 SG A:CYS306 2.4 15.0 1.0 CE1 A:HIS326 2.9 14.5 1.0 CB A:CYS333 3.1 15.9 1.0 CB A:CYS306 3.1 13.4 1.0 CD2 A:HIS326 3.1 14.6 1.0 CB A:CYS309 3.3 15.8 1.0 N A:CYS309 3.6 14.4 1.0 CA A:CYS309 4.0 14.5 1.0 ND1 A:HIS326 4.1 12.9 1.0 CG A:HIS326 4.2 14.0 1.0 CA A:CYS333 4.4 14.9 1.0 CB A:CYS308 4.5 16.2 1.0 CA A:CYS306 4.6 14.7 1.0 C A:CYS308 4.7 15.4 1.0 CB A:PHE330 4.8 14.1 1.0 C A:CYS309 4.9 14.3 1.0 N A:CYS308 4.9 14.9 1.0 CA A:CYS308 4.9 15.7 1.0

Zinc binding site 2 out of 4 in the Structure of CIAP1 with Bccov


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of CIAP1 with Bccov within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:16.5 occ:1.00 NE2 B:HIS326 2.0 17.9 1.0 SG B:CYS333 2.3 18.2 1.0 SG B:CYS306 2.3 15.7 1.0 SG B:CYS309 2.4 17.5 1.0 CE1 B:HIS326 2.8 16.7 1.0 CB B:CYS333 3.1 18.9 1.0 CB B:CYS306 3.1 14.1 1.0 CD2 B:HIS326 3.2 16.6 1.0 CB B:CYS309 3.2 17.4 1.0 N B:CYS309 3.6 15.9 1.0 CA B:CYS309 4.0 16.1 1.0 ND1 B:HIS326 4.0 16.1 1.0 CG B:HIS326 4.2 15.5 1.0 CA B:CYS333 4.5 19.9 1.0 CB B:CYS308 4.5 15.5 1.0 CA B:CYS306 4.6 13.0 1.0 C B:CYS308 4.7 16.0 1.0 CB B:PHE330 4.8 17.6 1.0 C B:CYS309 4.9 15.6 1.0 N B:CYS308 4.9 15.4 1.0 CA B:CYS308 4.9 15.4 1.0 CB B:LEU336 5.0 18.4 1.0

Zinc binding site 3 out of 4 in the Structure of CIAP1 with Bccov


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of CIAP1 with Bccov within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn401 b:17.3 occ:1.00 NE2 C:HIS326 2.1 18.7 1.0 SG C:CYS306 2.3 16.3 1.0 SG C:CYS333 2.3 17.4 1.0 SG C:CYS309 2.4 22.0 1.0 CE1 C:HIS326 2.9 18.4 1.0 CB C:CYS333 3.1 19.0 1.0 CB C:CYS306 3.1 18.4 1.0 CB C:CYS309 3.3 23.2 1.0 CD2 C:HIS326 3.3 16.2 1.0 N C:CYS309 3.6 23.4 1.0 CA C:CYS309 4.0 23.9 1.0 ND1 C:HIS326 4.1 18.1 1.0 CG C:HIS326 4.3 15.9 1.0 CA C:CYS333 4.4 18.7 1.0 CB C:CYS308 4.5 22.8 1.0 CA C:CYS306 4.6 17.1 1.0 C C:CYS308 4.7 24.0 1.0 C C:CYS309 4.8 24.5 1.0 CB C:PHE330 4.9 24.2 1.0 CA C:CYS308 5.0 22.8 1.0 N C:ASP310 5.0 24.5 1.0 N C:CYS308 5.0 21.4 1.0

Zinc binding site 4 out of 4 in the Structure of CIAP1 with Bccov


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of CIAP1 with Bccov within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn401 b:17.8 occ:1.00 NE2 D:HIS326 2.0 21.2 1.0 SG D:CYS333 2.3 18.9 1.0 SG D:CYS306 2.3 16.5 1.0 SG D:CYS309 2.4 19.1 1.0 CE1 D:HIS326 2.8 19.8 1.0 CB D:CYS333 3.1 20.2 1.0 CB D:CYS306 3.1 14.6 1.0 CD2 D:HIS326 3.2 19.7 1.0 CB D:CYS309 3.3 20.2 1.0 N D:CYS309 3.7 20.8 1.0 ND1 D:HIS326 4.0 18.7 1.0 CA D:CYS309 4.1 21.4 1.0 CG D:HIS326 4.2 18.6 1.0 CA D:CYS333 4.4 20.5 1.0 CB D:CYS308 4.5 20.2 1.0 CA D:CYS306 4.6 14.2 1.0 C D:CYS308 4.8 21.7 1.0 CB D:PHE330 4.8 26.0 1.0 N D:CYS308 4.9 18.6 1.0 C D:CYS309 4.9 21.9 1.0 CA D:CYS308 5.0 19.5 1.0

J.Schiemer, A.Maxwell, R.Horst, S.Liu, D.P.Uccello, K.Borzilleri, N.Rajamohan, M.F.Brown, M.F.Calabrese. A Covalent Btk Ternary Complex Compatible with Targeted Protein Degradation Nat Commun V. 14 1189 2023.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-023-36738-Z