Zinc in PDB 6aef: PAPA2 Acyl Transferase

The structure of PAPA2 Acyl Transferase, PDB code: 6aef was solved by S.Chaudhary, V.Rao, V.Panchal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.71 / 2.16
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.707, 100.668, 128.927, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 23.2

The binding sites of Zinc atom in the PAPA2 Acyl Transferase (pdb code 6aef). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the PAPA2 Acyl Transferase, PDB code: 6aef:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the PAPA2 Acyl Transferase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of PAPA2 Acyl Transferase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:28.9 occ:1.00 NE2 B:HIS21 2.0 43.8 1.0 NE2 B:HIS135 2.0 40.2 1.0 NE2 B:HIS124 2.2 42.9 1.0 SG B:CYS19 2.4 27.4 1.0 HB3 B:CYS19 2.7 31.8 1.0 CE1 B:HIS21 2.9 43.4 1.0 CE1 B:HIS135 3.0 39.0 1.0 CD2 B:HIS21 3.0 40.9 1.0 CB B:CYS19 3.0 26.5 1.0 CD2 B:HIS135 3.0 37.9 1.0 CE1 B:HIS124 3.0 42.3 1.0 HE1 B:HIS21 3.1 52.1 1.0 HE1 B:HIS124 3.2 50.8 1.0 HE1 B:HIS135 3.2 46.8 1.0 CD2 B:HIS124 3.2 41.9 1.0 HD2 B:HIS21 3.2 49.1 1.0 HD2 B:HIS135 3.2 45.5 1.0 HB2 B:CYS19 3.4 31.8 1.0 HD22 B:LEU148 3.4 41.6 1.0 HD2 B:HIS124 3.4 50.3 1.0 ND1 B:HIS21 4.0 43.9 1.0 HH B:TYR161 4.0 31.2 1.0 ND1 B:HIS135 4.1 38.8 1.0 CG B:HIS21 4.1 40.1 1.0 CG B:HIS135 4.1 38.9 1.0 ND1 B:HIS124 4.2 42.9 1.0 HD13 B:LEU148 4.2 42.2 1.0 CD2 B:LEU148 4.3 34.7 1.0 CG B:HIS124 4.3 41.0 1.0 HD21 B:LEU148 4.4 41.6 1.0 CA B:CYS19 4.4 25.5 1.0 HE1 B:MET127 4.7 42.2 1.0 C B:CYS19 4.7 28.9 1.0 OH B:TYR161 4.7 26.0 1.0 HD1 B:HIS21 4.8 52.7 1.0 HD23 B:LEU148 4.8 41.6 1.0 HA B:CYS19 4.8 30.6 1.0 HD1 B:HIS135 4.8 46.6 1.0 HB3 B:LEU148 4.9 32.5 1.0 CD1 B:LEU148 4.9 35.2 1.0 O B:CYS19 5.0 29.1 1.0 HD1 B:HIS124 5.0 51.5 1.0 HD11 B:LEU148 5.0 42.2 1.0

Zinc binding site 2 out of 2 in the PAPA2 Acyl Transferase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of PAPA2 Acyl Transferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn503 b:44.5 occ:1.00 NE2 A:HIS21 2.0 48.2 1.0 NE2 A:HIS135 2.0 42.0 1.0 NE2 A:HIS124 2.1 50.2 1.0 SG A:CYS19 2.3 30.2 1.0 HB3 A:CYS19 2.7 35.2 1.0 CE1 A:HIS21 2.9 44.2 1.0 CE1 A:HIS135 3.0 38.2 1.0 HE1 A:HIS21 3.0 53.0 1.0 CB A:CYS19 3.0 29.3 1.0 CD2 A:HIS124 3.0 43.1 1.0 CD2 A:HIS135 3.0 37.4 1.0 CD2 A:HIS21 3.1 41.5 1.0 HD2 A:HIS124 3.1 51.7 1.0 HE1 A:HIS135 3.2 45.9 1.0 CE1 A:HIS124 3.2 43.6 1.0 HD2 A:HIS135 3.2 44.9 1.0 HB2 A:CYS19 3.3 35.2 1.0 HD2 A:HIS21 3.3 49.8 1.0 HD22 A:LEU148 3.4 40.0 1.0 HE1 A:HIS124 3.4 52.4 1.0 ND1 A:HIS21 4.0 43.7 1.0 HH A:TYR161 4.1 36.4 1.0 ND1 A:HIS135 4.1 36.7 1.0 CG A:HIS135 4.1 37.2 1.0 CG A:HIS21 4.1 40.7 1.0 CG A:HIS124 4.2 44.4 1.0 ND1 A:HIS124 4.2 44.8 1.0 CD2 A:LEU148 4.3 33.3 1.0 HD21 A:LEU148 4.3 40.0 1.0 CA A:CYS19 4.4 28.8 1.0 HD13 A:LEU148 4.4 38.5 1.0 HE1 A:MET127 4.6 48.2 1.0 C A:CYS19 4.7 30.0 1.0 OH A:TYR161 4.7 30.3 1.0 HD1 A:HIS21 4.8 52.5 1.0 HD23 A:LEU148 4.8 40.0 1.0 HA A:CYS19 4.8 34.6 1.0 HD1 A:HIS135 4.8 44.1 1.0 O A:CYS19 5.0 31.5 1.0

V.Panchal, N.Jatana, A.Malik, B.Taneja, R.Pal, A.Bhatt, G.S.Besra, L.Thukral, S.Chaudhary, V.Rao. A Novel Mutation Alters the Stability of PAPA2 Resulting in the Complete Abrogation of Sulfolipids in Clinical Mycobacterial Strains Faseb Bioadv 2019.
ISSN: ISSN 2573-9832
DOI: 10.1096/FBA.2018-00039