Zinc in PDB 6w7o: Ternary Complex Structure - Btk Ciap Compound 17

All present enzymatic activity of Ternary Complex Structure - Btk Ciap Compound 17:
2.3.2.27; 2.7.10.2;

The structure of Ternary Complex Structure - Btk Ciap Compound 17, PDB code: 6w7o was solved by M.F.Calabrese, J.S.Schiemer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.34 / 2.17
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	37.980, 56.330, 98.120, 104.98, 100.89, 90.13
R / Rfree (%)	19.6 / 24

The structure of Ternary Complex Structure - Btk Ciap Compound 17 also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Zinc atom in the Ternary Complex Structure - Btk Ciap Compound 17 (pdb code 6w7o). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Ternary Complex Structure - Btk Ciap Compound 17, PDB code: 6w7o:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Ternary Complex Structure - Btk Ciap Compound 17


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Ternary Complex Structure - Btk Ciap Compound 17 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn401 b:35.9 occ:1.00 NE2 C:HIS326 2.1 39.3 1.0 SG C:CYS306 2.2 35.8 1.0 SG C:CYS333 2.2 37.1 1.0 SG C:CYS309 2.4 38.9 1.0 CE1 C:HIS326 2.6 38.9 1.0 CB C:CYS306 3.1 32.3 1.0 CB C:CYS333 3.2 33.8 1.0 CB C:CYS309 3.3 35.1 1.0 CD2 C:HIS326 3.4 39.4 1.0 N C:CYS309 3.6 34.3 1.0 ND1 C:HIS326 3.9 39.6 1.0 CA C:CYS309 4.0 34.6 1.0 CG C:HIS326 4.3 38.0 1.0 CA C:CYS333 4.5 33.9 1.0 CA C:CYS306 4.5 32.4 1.0 CB C:CYS308 4.5 32.1 1.0 C C:CYS308 4.7 36.9 1.0 C C:CYS309 4.9 37.3 1.0 N C:CYS308 4.9 33.7 1.0 CA C:CYS308 4.9 32.6 1.0 CB C:PHE330 5.0 41.5 1.0

Zinc binding site 2 out of 2 in the Ternary Complex Structure - Btk Ciap Compound 17


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Ternary Complex Structure - Btk Ciap Compound 17 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn401 b:34.6 occ:1.00 SG D:CYS306 2.2 31.1 1.0 NE2 D:HIS326 2.2 36.9 1.0 SG D:CYS333 2.3 34.6 1.0 SG D:CYS309 2.3 34.5 1.0 CE1 D:HIS326 2.9 36.7 1.0 CB D:CYS306 3.1 27.6 1.0 CB D:CYS333 3.1 31.2 1.0 CB D:CYS309 3.2 31.0 1.0 CD2 D:HIS326 3.5 37.2 1.0 N D:CYS309 3.5 30.7 1.0 CA D:CYS309 3.9 30.7 1.0 ND1 D:HIS326 4.2 37.4 1.0 CG D:HIS326 4.4 36.0 1.0 CA D:CYS333 4.4 31.4 1.0 CA D:CYS306 4.5 28.0 1.0 C D:CYS308 4.6 33.5 1.0 CB D:CYS308 4.7 29.3 1.0 C D:CYS309 4.8 34.1 1.0 N D:CYS308 4.9 30.0 1.0 CA D:CYS308 4.9 29.5 1.0 CB D:PHE330 5.0 37.5 1.0 C D:CYS306 5.0 33.0 1.0

M.F.Calabrese, J.S.Schiemer, R.Horst, Y.Meng, J.Montgomery, Y.Xu, X.Feng, K.Borzilleri, D.P.Uccello, C.Leverett, S.Brown, Y.Che, M.F.Brown, M.M.Hayward, A.M.Gilbert, M.C.Noe. Structural Characterization of Btk:Protac:Ciap Ternary Complexes: From Snapshots to Ensembles Nat.Chem.Biol. 2020.
ISSN: ESSN 1552-4469