Zinc in PDB 7khm: Crystal Structure of HDHHS20 Bound to Palmitoyl Coa

All present enzymatic activity of Crystal Structure of HDHHS20 Bound to Palmitoyl Coa:
2.3.1.225;

The structure of Crystal Structure of HDHHS20 Bound to Palmitoyl Coa, PDB code: 7khm was solved by C.-J.Lee, A.Banerjee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.53 / 2.88
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.529, 114.61, 83.596, 90, 91.23, 90
R / Rfree (%)	29.4 / 32.5

The binding sites of Zinc atom in the Crystal Structure of HDHHS20 Bound to Palmitoyl Coa (pdb code 7khm). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of HDHHS20 Bound to Palmitoyl Coa, PDB code: 7khm:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of HDHHS20 Bound to Palmitoyl Coa


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 HDHHS20 Bound to Palmitoyl Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:104.8 occ:1.00 ND1 A:HIS141 2.1 115.4 1.0 SG A:CYS128 2.3 118.8 1.0 SG A:CYS148 2.3 115.6 1.0 SG A:CYS131 2.3 111.4 1.0 CE1 A:HIS141 2.9 113.0 1.0 CG A:HIS141 3.1 112.3 1.0 CB A:CYS131 3.3 116.2 1.0 CB A:CYS128 3.5 113.6 1.0 CB A:HIS141 3.6 110.0 1.0 CB A:CYS148 3.8 107.7 1.0 N A:CYS148 3.8 112.4 1.0 N A:CYS131 4.1 119.1 1.0 NE2 A:HIS141 4.1 114.8 1.0 CA A:CYS148 4.1 104.9 1.0 C A:SER147 4.1 122.5 1.0 CD2 A:HIS141 4.2 110.0 1.0 CA A:CYS131 4.3 117.7 1.0 CA A:HIS141 4.4 113.9 1.0 O A:SER147 4.5 122.4 1.0 CA A:SER147 4.7 126.1 1.0 CA A:CYS128 4.9 112.5 1.0 CB A:LYS130 5.0 110.8 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of HDHHS20 Bound to Palmitoyl Coa


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 HDHHS20 Bound to Palmitoyl Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:113.0 occ:1.00 ND1 A:HIS155 2.1 110.8 1.0 SG A:CYS142 2.3 118.9 1.0 SG A:CYS145 2.3 110.9 1.0 SG A:CYS162 2.3 115.0 1.0 CE1 A:HIS155 2.9 111.5 1.0 CB A:CYS162 3.0 108.4 1.0 CG A:HIS155 3.2 105.4 1.0 CB A:CYS142 3.3 113.4 1.0 CB A:CYS145 3.4 125.1 1.0 CA A:CYS162 3.7 109.8 1.0 CB A:HIS155 3.7 101.8 1.0 N A:CYS145 4.0 125.7 1.0 N A:CYS162 4.0 112.4 1.0 NE2 A:HIS155 4.1 104.6 1.0 CD2 A:HIS155 4.3 102.4 1.0 CA A:CYS145 4.3 133.5 1.0 CA A:HIS155 4.4 105.7 1.0 C A:ASN161 4.6 111.2 1.0 CB A:ALA144 4.7 120.5 1.0 CA A:CYS142 4.7 111.1 1.0 CG1 A:ILE149 4.8 107.5 1.0 C A:ALA144 4.9 129.0 1.0 CE A:MET152 4.9 100.7 1.0 O A:ASN161 4.9 106.7 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of HDHHS20 Bound to Palmitoyl Coa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of HDHHS20 Bound to Palmitoyl Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:148.1 occ:1.00 ND1 B:HIS141 2.1 145.7 1.0 SG B:CYS148 2.3 139.3 1.0 SG B:CYS131 2.3 150.5 1.0 SG B:CYS128 2.3 165.8 1.0 CE1 B:HIS141 3.0 146.2 1.0 CG B:HIS141 3.0 144.6 1.0 CB B:CYS131 3.2 155.9 1.0 CB B:HIS141 3.4 143.4 1.0 CB B:CYS128 3.5 166.5 1.0 CB B:CYS148 3.8 133.7 1.0 N B:CYS148 3.9 138.1 1.0 NE2 B:HIS141 4.0 145.4 1.0 CD2 B:HIS141 4.1 144.2 1.0 N B:CYS131 4.1 162.3 1.0 CA B:CYS148 4.2 133.9 1.0 CA B:HIS141 4.3 142.3 1.0 CA B:CYS131 4.3 160.3 1.0 C B:SER147 4.3 135.6 1.0 O B:SER147 4.8 139.8 1.0 CA B:SER147 4.8 141.2 1.0 CA B:CYS128 4.9 167.1 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of HDHHS20 Bound to Palmitoyl Coa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of HDHHS20 Bound to Palmitoyl Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:139.9 occ:1.00 ND1 B:HIS155 2.1 146.7 1.0 SG B:CYS145 2.3 173.2 1.0 SG B:CYS162 2.3 131.9 1.0 SG B:CYS142 2.3 153.8 1.0 CE1 B:HIS155 2.9 147.1 1.0 CB B:CYS162 3.2 126.5 1.0 CG B:HIS155 3.2 144.4 1.0 CB B:CYS142 3.4 149.3 1.0 CB B:CYS145 3.5 174.8 1.0 CB B:HIS155 3.7 142.0 1.0 N B:CYS145 3.9 171.5 1.0 CA B:CYS162 4.0 126.7 1.0 NE2 B:HIS155 4.0 147.1 1.0 N B:CYS162 4.2 133.7 1.0 CD2 B:HIS155 4.2 144.2 1.0 CA B:CYS145 4.3 175.3 1.0 CB B:ALA144 4.3 155.2 1.0 CA B:HIS155 4.6 138.6 1.0 C B:ALA144 4.7 165.9 1.0 CA B:CYS142 4.8 151.8 1.0 CE B:MET152 4.9 133.9 1.0 CG1 B:ILE149 4.9 126.3 1.0 C B:ASN161 4.9 127.2 1.0 CA B:ALA144 5.0 156.9 1.0

C.J.Lee, R.Stix, M.S.Rana, F.Shikwana, R.E.Murphy, R.Ghirlando, J.D.Faraldo-Gomez, A.Banerjee. Bivalent Recognition of Fatty Acyl-Coa By A Human Integral Membrane Palmitoyltransferase. Proc.Natl.Acad.Sci.Usa V. 119 2022.
ISSN: ESSN 1091-6490
PubMed: 35140179
DOI: 10.1073/PNAS.2022050119