Potassium in PDB 7pzj: Structure of A Bacteroidetal Polyethylene Terephthalate (Pet) Esterase

The structure of Structure of A Bacteroidetal Polyethylene Terephthalate (Pet) Esterase, PDB code: 7pzj was solved by H.Zang, R.Dierkes, P.Perez-Garcia, S.Weigert, S.Sternagel, S.J.Hallam, V.Applegate, J.Schumacher, T.Schott, J.Pleiss, A.Almeida, B.Hoecker, S.H.Smits, R.A.Schmitz, J.Chow, W.R.Streit, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.08 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	109.755, 109.755, 41.803, 90, 90, 90
R / Rfree (%)	16.1 / 21.3

The binding sites of Potassium atom in the Structure of A Bacteroidetal Polyethylene Terephthalate (Pet) Esterase (pdb code 7pzj). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Structure of A Bacteroidetal Polyethylene Terephthalate (Pet) Esterase, PDB code: 7pzj:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Structure of A Bacteroidetal Polyethylene Terephthalate (Pet) Esterase


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of A Bacteroidetal Polyethylene Terephthalate (Pet) Esterase within 5.0Å range: probe atom residue distance (Å) B Occ A:K401 b:41.4 occ:1.00 O A:HOH523 2.5 23.0 1.0 OD1 A:ASN30 2.6 39.0 1.0 O A:TYR34 2.6 22.6 1.0 O A:GLY31 2.8 24.2 1.0 O A:HOH656 3.1 49.4 1.0 O A:HOH675 3.3 35.2 1.0 HA A:ALA35 3.5 31.6 1.0 O A:HOH528 3.5 27.0 1.0 HA A:PRO32 3.5 32.1 1.0 CG A:ASN30 3.7 33.4 1.0 C A:GLY31 3.8 21.7 1.0 C A:TYR34 3.8 22.7 1.0 HD21 A:ASN30 3.8 47.8 1.0 H A:TYR34 3.9 27.6 1.0 H A:GLY36 4.0 24.7 1.0 O A:HOH647 4.1 37.4 1.0 ND2 A:ASN30 4.1 39.9 1.0 CA A:PRO32 4.2 26.8 1.0 CA A:ALA35 4.4 26.4 1.0 O A:PRO32 4.4 22.5 1.0 C A:PRO32 4.4 27.0 1.0 N A:PRO32 4.5 22.3 1.0 N A:GLY31 4.5 24.1 1.0 N A:ALA35 4.5 21.1 1.0 N A:TYR34 4.6 23.0 1.0 H A:GLY31 4.6 29.0 1.0 C A:ASN30 4.7 27.2 1.0 N A:GLY36 4.8 20.6 1.0 CA A:GLY31 4.8 26.1 1.0 HA A:ASN30 4.8 30.7 1.0 CA A:TYR34 4.9 22.4 1.0 OE2 A:GLU24 4.9 24.8 1.0 CB A:ASN30 4.9 28.5 1.0 HD22 A:ASN30 5.0 47.8 1.0

Potassium binding site 2 out of 4 in the Structure of A Bacteroidetal Polyethylene Terephthalate (Pet) Esterase


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of A Bacteroidetal Polyethylene Terephthalate (Pet) Esterase within 5.0Å range: probe atom residue distance (Å) B Occ A:K402 b:31.1 occ:1.00 HG A:SER260 1.9 34.3 1.0 O A:GLY194 2.5 24.2 1.0 OG A:SER260 2.7 28.6 1.0 O A:SER260 2.7 20.4 1.0 O A:THR196 2.7 22.8 1.0 O A:HOH598 2.8 32.3 1.0 C A:SER260 3.4 23.6 1.0 HA A:ASN197 3.5 25.7 1.0 C A:THR196 3.5 18.7 1.0 HB3 A:SER260 3.6 30.2 1.0 CB A:SER260 3.6 25.2 1.0 C A:GLY194 3.6 21.7 1.0 HA A:THR195 3.6 33.4 1.0 HG2 A:LYS198 3.7 29.2 1.0 HA A:TYR261 3.8 26.0 1.0 C A:THR195 3.8 25.0 1.0 HE2 A:LYS198 3.9 24.6 1.0 N A:THR196 4.0 21.6 1.0 CA A:SER260 4.0 23.9 1.0 CA A:THR195 4.1 27.9 1.0 O A:THR195 4.1 30.2 1.0 N A:ASN197 4.2 16.6 1.0 H A:LYS198 4.2 22.6 1.0 N A:TYR261 4.2 22.0 1.0 H A:THR196 4.3 25.9 1.0 CA A:ASN197 4.3 21.4 1.0 O A:HOH648 4.3 49.7 1.0 HA A:SER260 4.3 28.6 1.0 N A:THR195 4.3 22.4 1.0 CA A:THR196 4.4 20.8 1.0 HA2 A:GLY194 4.4 34.5 1.0 HB2 A:SER260 4.5 30.2 1.0 CA A:TYR261 4.5 21.7 1.0 CG A:LYS198 4.7 24.4 1.0 CA A:GLY194 4.7 28.8 1.0 N A:LYS198 4.7 18.9 1.0 CE A:LYS198 4.8 20.6 1.0 O A:HOH622 4.8 39.8 1.0 OD1 A:ASN197 4.8 17.7 1.0 H A:TYR261 4.9 26.3 1.0 H A:ASN197 4.9 19.9 1.0 HE3 A:LYS198 4.9 24.6 1.0 C A:ASN197 4.9 18.1 1.0 O A:PRO193 4.9 22.2 1.0 HA A:THR196 5.0 24.9 1.0

Potassium binding site 3 out of 4 in the Structure of A Bacteroidetal Polyethylene Terephthalate (Pet) Esterase


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structure of A Bacteroidetal Polyethylene Terephthalate (Pet) Esterase within 5.0Å range: probe atom residue distance (Å) B Occ A:K403 b:38.1 occ:1.00 HH A:TYR34 2.1 22.9 1.0 HG A:SER37 2.5 26.2 1.0 OE2 A:GLU24 2.6 24.8 1.0 O A:ARG29 2.7 19.3 1.0 HE1 A:TYR34 2.7 22.9 1.0 OG A:SER37 2.7 21.9 1.0 HB3 A:SER37 2.7 27.1 1.0 OH A:TYR34 2.7 19.1 1.0 HG3 A:GLU24 2.8 26.6 1.0 HG12 A:VAL28 3.0 21.7 1.0 CB A:SER37 3.2 22.6 1.0 HG23 A:THR104 3.3 23.0 1.0 HG2 A:GLU24 3.3 26.6 1.0 CG A:GLU24 3.3 22.2 1.0 CD A:GLU24 3.3 29.9 1.0 H A:GLY31 3.4 29.0 1.0 CE1 A:TYR34 3.4 19.1 1.0 CZ A:TYR34 3.5 23.8 1.0 HA A:ASN30 3.5 30.7 1.0 HG1 A:THR104 3.7 22.9 1.0 H A:SER37 3.8 25.4 1.0 C A:ARG29 3.9 23.2 1.0 CG1 A:VAL28 3.9 18.1 1.0 HB2 A:SER37 3.9 27.1 1.0 N A:SER37 4.0 21.2 1.0 HG11 A:VAL28 4.0 21.7 1.0 N A:GLY31 4.2 24.1 1.0 CG2 A:THR104 4.2 19.1 1.0 HD12 A:ILE80 4.2 22.2 1.0 CA A:SER37 4.2 19.5 1.0 O A:HOH523 4.3 23.0 1.0 CA A:ASN30 4.3 25.6 1.0 HB A:VAL28 4.4 23.9 1.0 OG1 A:THR104 4.4 19.1 1.0 HG13 A:VAL28 4.4 21.7 1.0 HG22 A:THR104 4.5 23.0 1.0 C A:GLY36 4.5 19.1 1.0 N A:ASN30 4.5 23.6 1.0 HA2 A:GLY36 4.5 28.3 1.0 OE1 A:GLU24 4.6 29.8 1.0 H A:GLU24 4.6 23.2 1.0 CD1 A:TYR34 4.6 18.3 1.0 CB A:GLU24 4.7 19.8 1.0 HG21 A:THR104 4.8 23.0 1.0 CB A:VAL28 4.8 19.9 1.0 C A:ASN30 4.8 27.2 1.0 O A:VAL28 4.8 20.3 1.0 CE2 A:TYR34 4.9 17.3 1.0 HA A:SER37 4.9 23.4 1.0 CB A:THR104 4.9 19.9 1.0 HD1 A:TYR34 4.9 21.9 1.0 C A:VAL28 4.9 21.5 1.0 HG23 A:ILE82 5.0 20.1 1.0 H A:GLY36 5.0 24.7 1.0 O A:GLY36 5.0 18.5 1.0 HA3 A:GLY31 5.0 31.3 1.0 CA A:ARG29 5.0 22.3 1.0

Potassium binding site 4 out of 4 in the Structure of A Bacteroidetal Polyethylene Terephthalate (Pet) Esterase


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Structure of A Bacteroidetal Polyethylene Terephthalate (Pet) Esterase within 5.0Å range: probe atom residue distance (Å) B Occ A:K404 b:53.7 occ:1.00 O A:HOH677 2.6 34.7 1.0 OE1 A:GLN259 2.6 33.1 1.0 O A:HOH573 2.7 20.5 1.0 OH A:TYR261 2.9 31.1 1.0 HD12 A:ILE247 3.0 29.8 1.0 HA A:ALA244 3.1 31.8 1.0 HH A:TYR261 3.2 37.4 1.0 HE22 A:GLN259 3.6 36.0 1.0 O A:HOH632 3.6 46.0 1.0 CD A:GLN259 3.6 34.9 1.0 OG A:SER272 3.6 45.2 1.0 HE1 A:TYR261 3.6 29.0 1.0 HB1 A:ALA244 3.8 32.9 1.0 CZ A:TYR261 3.8 30.0 1.0 HD13 A:ILE247 3.8 29.8 1.0 CD1 A:ILE247 3.8 24.8 1.0 HB2 A:ALA244 3.8 32.9 1.0 HB2 A:SER272 3.9 44.9 1.0 CA A:ALA244 3.9 26.5 1.0 HG A:SER272 3.9 54.2 1.0 NE2 A:GLN259 3.9 30.0 1.0 CE1 A:TYR261 4.0 24.1 1.0 CB A:ALA244 4.0 27.4 1.0 HB A:ILE247 4.0 29.2 1.0 CB A:SER272 4.2 37.4 1.0 O A:HOH509 4.3 33.5 1.0 HD11 A:ILE247 4.3 29.8 1.0 HB3 A:SER272 4.3 44.9 1.0 HG21 A:ILE247 4.3 32.5 1.0 O A:HOH676 4.6 24.9 1.0 O A:HOH662 4.6 37.5 0.5 O A:HOH682 4.6 38.3 1.0 O A:HOH696 4.7 34.2 1.0 O A:ALA244 4.7 27.0 1.0 CB A:ILE247 4.7 24.3 1.0 HE21 A:GLN259 4.8 36.0 1.0 N A:ALA244 4.8 22.8 1.0 HB3 A:GLN259 4.8 27.3 1.0 HG22 A:ILE247 4.8 32.5 1.0 C A:ALA244 4.8 25.1 1.0 CG2 A:ILE247 4.8 27.1 1.0 CG1 A:ILE247 4.9 24.4 1.0 CG A:GLN259 4.9 29.8 1.0 CE2 A:TYR261 4.9 25.9 1.0 HG A:LEU243 5.0 25.2 1.0

H.Zhang, P.Perez-Garcia, R.F.Dierkes, V.Applegate, J.Schumacher, C.M.Chibani, S.Sternagel, L.Preuss, S.Weigert, C.Schmeisser, D.Danso, J.Pleiss, A.Almeida, B.Hocker, S.J.Hallam, R.A.Schmitz, S.H.J.Smits, J.Chow, W.R.Streit. The Bacteroidetes Aequorivita Sp. and Kaistella Jeonii Produce Promiscuous Esterases with Pet-Hydrolyzing Activity. Front Microbiol V. 12 03896 2021.
ISSN: ESSN 1664-302X
PubMed: 35069509
DOI: 10.3389/FMICB.2021.803896