Zinc in PDB 4lgu: Crystal Structure of CLAP1 BIR3 Bound to T3226692

The structure of Crystal Structure of CLAP1 BIR3 Bound to T3226692, PDB code: 4lgu was solved by D.R.Dougan, C.D.Mol, G.P.Snell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	31.103, 68.052, 122.027, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 21.4

The binding sites of Zinc atom in the Crystal Structure of CLAP1 BIR3 Bound to T3226692 (pdb code 4lgu). 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 CLAP1 BIR3 Bound to T3226692, PDB code: 4lgu:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of CLAP1 BIR3 Bound to T3226692


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 CLAP1 BIR3 Bound to T3226692 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:20.2 occ:1.00 NE2 A:HIS320 2.1 22.8 1.0 SG A:CYS300 2.3 20.5 1.0 SG A:CYS327 2.3 19.5 1.0 SG A:CYS303 2.3 23.3 1.0 CE1 A:HIS320 2.9 24.4 1.0 CB A:CYS327 3.1 18.8 1.0 CB A:CYS300 3.1 19.0 1.0 CB A:CYS303 3.3 23.6 1.0 CD2 A:HIS320 3.3 20.4 1.0 N A:CYS303 3.7 21.7 1.0 CA A:CYS303 4.1 24.8 1.0 ND1 A:HIS320 4.1 22.2 1.0 CG A:HIS320 4.3 21.4 1.0 CB A:CYS302 4.5 21.7 1.0 CA A:CYS327 4.5 18.4 1.0 CA A:CYS300 4.6 19.5 1.0 C A:CYS302 4.8 25.0 1.0 CB A:PHE324 4.9 21.2 1.0 C A:CYS303 4.9 26.8 1.0 CA A:CYS302 5.0 22.4 1.0 N A:CYS302 5.0 22.1 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of CLAP1 BIR3 Bound to T3226692


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 CLAP1 BIR3 Bound to T3226692 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:19.2 occ:1.00 NE2 B:HIS320 2.1 25.0 1.0 SG B:CYS303 2.3 19.6 1.0 SG B:CYS300 2.3 19.0 1.0 SG B:CYS327 2.3 20.4 1.0 CE1 B:HIS320 2.9 26.4 1.0 CB B:CYS300 3.0 18.5 1.0 CB B:CYS327 3.1 18.3 1.0 CB B:CYS303 3.2 18.4 1.0 CD2 B:HIS320 3.3 23.7 1.0 N B:CYS303 3.7 20.0 1.0 CA B:CYS303 4.1 20.4 1.0 ND1 B:HIS320 4.1 21.5 1.0 CG B:HIS320 4.3 21.9 1.0 CB B:CYS302 4.5 22.2 1.0 CA B:CYS327 4.5 20.1 1.0 CA B:CYS300 4.5 17.0 1.0 C B:CYS302 4.8 23.3 1.0 C B:CYS303 4.9 19.5 1.0 CB B:PHE324 4.9 20.1 1.0 N B:CYS302 4.9 17.9 1.0 CA B:CYS302 5.0 20.2 1.0

M.Asano, K.Hashimoto, B.Saito, Z.Shiokawa, H.Sumi, M.Yabuki, M.Yoshimatsu, K.Aoyama, T.Hamada, N.Morishita, D.R.Dougan, C.D.Mol, S.Yoshida, T.Ishikawa. Design, Stereoselective Synthesis, and Biological Evaluation of Novel Tri-Cyclic Compounds As Inhibitor of Apoptosis Proteins (Iap) Antagonists. Bioorg.Med.Chem. V. 21 5725 2013.
ISSN: ISSN 0968-0896
PubMed: 23928071
DOI: 10.1016/J.BMC.2013.07.020