Zinc in PDB 6bml: Structure of Human DHHC20 Palmitoyltransferase, Irreversibly Inhibited By 2-Bromopalmitate

All present enzymatic activity of Structure of Human DHHC20 Palmitoyltransferase, Irreversibly Inhibited By 2-Bromopalmitate:
2.3.1.225;

The structure of Structure of Human DHHC20 Palmitoyltransferase, Irreversibly Inhibited By 2-Bromopalmitate, PDB code: 6bml was solved by M.S.Rana, C.-J.Lee, A.Banerjee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.81 / 2.95
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	99.794, 99.794, 159.947, 90.00, 90.00, 120.00
R / Rfree (%)	23.6 / 24.5

The binding sites of Zinc atom in the Structure of Human DHHC20 Palmitoyltransferase, Irreversibly Inhibited By 2-Bromopalmitate (pdb code 6bml). 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 Human DHHC20 Palmitoyltransferase, Irreversibly Inhibited By 2-Bromopalmitate, PDB code: 6bml:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of Human DHHC20 Palmitoyltransferase, Irreversibly Inhibited By 2-Bromopalmitate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Human DHHC20 Palmitoyltransferase, Irreversibly Inhibited By 2-Bromopalmitate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:0.6 occ:1.00 ND1 A:HIS155 2.0 0.8 1.0 SG A:CYS145 2.3 0.0 1.0 SG A:CYS142 2.4 0.7 1.0 SG A:CYS162 2.4 0.6 1.0 CB A:CYS162 2.8 0.8 1.0 CG A:HIS155 3.0 0.2 1.0 CE1 A:HIS155 3.0 0.5 1.0 CB A:HIS155 3.3 0.8 1.0 CB A:CYS142 3.4 0.9 1.0 CB A:CYS145 3.5 0.7 1.0 CA A:CYS162 3.8 0.6 1.0 N A:CYS145 3.9 0.3 1.0 CA A:HIS155 4.1 0.3 1.0 NE2 A:HIS155 4.1 0.6 1.0 CD2 A:HIS155 4.1 0.6 1.0 N A:CYS162 4.3 0.7 1.0 CA A:CYS145 4.3 0.3 1.0 CB A:ALA144 4.5 0.2 1.0 CE A:MET152 4.6 0.1 1.0 CA A:CYS142 4.8 0.4 1.0 CG1 A:ILE149 4.8 0.1 1.0 N A:HIS155 4.8 0.3 1.0 C A:ALA144 4.8 0.3 1.0 C A:ASN161 4.9 0.3 1.0

Zinc binding site 2 out of 4 in the Structure of Human DHHC20 Palmitoyltransferase, Irreversibly Inhibited By 2-Bromopalmitate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Human DHHC20 Palmitoyltransferase, Irreversibly Inhibited By 2-Bromopalmitate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:1.0 occ:1.00 ND1 A:HIS141 2.0 0.9 1.0 SG A:CYS131 2.3 0.3 1.0 SG A:CYS148 2.3 0.7 1.0 SG A:CYS128 2.4 0.3 1.0 CG A:HIS141 2.9 0.0 1.0 CE1 A:HIS141 3.0 0.6 1.0 CB A:HIS141 3.3 0.7 1.0 CB A:CYS131 3.4 0.3 1.0 CB A:CYS128 3.5 0.6 1.0 CB A:CYS148 3.7 0.1 1.0 N A:CYS148 3.8 0.4 1.0 CA A:CYS148 4.0 0.8 1.0 CD2 A:HIS141 4.0 0.3 1.0 NE2 A:HIS141 4.0 0.4 1.0 CA A:HIS141 4.1 0.0 1.0 C A:SER147 4.2 0.6 1.0 N A:CYS131 4.2 0.4 1.0 CA A:CYS131 4.4 0.2 1.0 O A:SER147 4.6 0.9 1.0 CA A:SER147 4.7 0.4 1.0 N A:HIS141 4.9 0.1 1.0 CA A:CYS128 4.9 0.4 1.0

Zinc binding site 3 out of 4 in the Structure of Human DHHC20 Palmitoyltransferase, Irreversibly Inhibited By 2-Bromopalmitate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Human DHHC20 Palmitoyltransferase, Irreversibly Inhibited By 2-Bromopalmitate within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:0.1 occ:1.00 ND1 B:HIS141 2.0 0.7 1.0 SG B:CYS148 2.3 0.5 1.0 SG B:CYS128 2.3 1.0 1.0 SG B:CYS131 2.3 92.6 1.0 CE1 B:HIS141 2.9 0.0 1.0 CG B:HIS141 3.0 97.4 1.0 CB B:CYS131 3.3 1.0 1.0 CB B:HIS141 3.4 0.7 1.0 CB B:CYS128 3.6 0.6 1.0 CB B:CYS148 3.6 0.1 1.0 N B:CYS148 3.7 0.5 1.0 CA B:CYS148 4.0 98.2 1.0 NE2 B:HIS141 4.0 0.1 1.0 CD2 B:HIS141 4.1 99.0 1.0 C B:SER147 4.1 0.6 1.0 N B:CYS131 4.1 0.1 1.0 CA B:HIS141 4.2 0.7 1.0 CA B:CYS131 4.4 0.5 1.0 O B:SER147 4.6 0.1 1.0 CA B:SER147 4.6 0.1 1.0 CA B:CYS128 4.9 0.1 1.0

Zinc binding site 4 out of 4 in the Structure of Human DHHC20 Palmitoyltransferase, Irreversibly Inhibited By 2-Bromopalmitate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Human DHHC20 Palmitoyltransferase, Irreversibly Inhibited By 2-Bromopalmitate within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:98.3 occ:1.00 ND1 B:HIS155 2.0 1.0 1.0 SG B:CYS162 2.2 91.4 1.0 SG B:CYS145 2.3 94.6 1.0 SG B:CYS142 2.3 0.7 1.0 CE1 B:HIS155 2.9 0.7 1.0 CG B:HIS155 3.0 93.5 1.0 CB B:CYS142 3.2 0.1 1.0 CB B:CYS145 3.4 0.5 1.0 CB B:CYS162 3.4 96.7 1.0 CB B:HIS155 3.4 92.1 1.0 N B:CYS145 3.6 0.1 1.0 NE2 B:HIS155 4.0 0.5 1.0 CD2 B:HIS155 4.1 0.2 1.0 CA B:CYS145 4.1 0.3 1.0 CA B:CYS162 4.2 99.4 1.0 CB B:ALA144 4.3 0.5 1.0 CA B:HIS155 4.3 91.7 1.0 N B:CYS162 4.5 97.9 1.0 C B:ALA144 4.6 0.3 1.0 CA B:CYS142 4.7 0.8 1.0 CE B:MET152 4.7 85.1 1.0 CA B:ALA144 4.8 0.2 1.0 CG1 B:ILE149 4.9 84.1 1.0 N B:ALA144 5.0 0.8 1.0 C B:ASN161 5.0 99.6 1.0

M.S.Rana, P.Kumar, C.J.Lee, R.Verardi, K.R.Rajashankar, A.Banerjee. Fatty Acyl Recognition and Transfer By An Integral Membranes-Acyltransferase. Science V. 359 2018.
ISSN: ESSN 1095-9203
PubMed: 29326245
DOI: 10.1126/SCIENCE.AAO6326