Potassium in PDB 8u3n: Structure of P450BLT From Micromonospora Sp. Mw-13

The structure of Structure of P450BLT From Micromonospora Sp. Mw-13, PDB code: 8u3n was solved by M.H.Hansen, M.J.Cryle, Y.Zhao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.87 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.078, 95.748, 105.217, 90, 92.63, 90
R / Rfree (%)	19.4 / 23.6

The structure of Structure of P450BLT From Micromonospora Sp. Mw-13 also contains other interesting chemical elements:

Iron

(Fe)

3 atoms

The binding sites of Potassium atom in the Structure of P450BLT From Micromonospora Sp. Mw-13 (pdb code 8u3n). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Structure of P450BLT From Micromonospora Sp. Mw-13, PDB code: 8u3n:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Structure of P450BLT From Micromonospora Sp. Mw-13


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of P450BLT From Micromonospora Sp. Mw-13 within 5.0Å range: probe atom residue distance (Å) B Occ A:K403 b:103.0 occ:1.00 OD2 A:ASP78 2.8 77.8 1.0 O A:HOH612 2.8 59.4 1.0 CG A:ASP78 3.8 68.6 1.0 OD1 A:ASP78 4.0 66.2 1.0

Potassium binding site 2 out of 3 in the Structure of P450BLT From Micromonospora Sp. Mw-13


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of P450BLT From Micromonospora Sp. Mw-13 within 5.0Å range: probe atom residue distance (Å) B Occ B:K405 b:58.7 occ:1.00 HE21 B:GLN353 2.1 52.2 1.0 OG1 B:THR146 2.6 30.8 1.0 HG2 B:GLN353 2.6 45.4 1.0 HA B:PHE114 2.9 52.7 1.0 NE2 B:GLN353 2.9 43.4 1.0 HG1 B:THR146 2.9 37.1 1.0 HB3 B:PHE114 3.1 54.1 1.0 O B:PHE114 3.2 43.4 1.0 CG B:GLN353 3.2 37.7 1.0 HG3 B:GLN353 3.2 45.4 1.0 HG13 B:VAL142 3.2 39.6 1.0 HG21 B:THR146 3.4 42.0 1.0 HB B:ILE117 3.4 52.9 1.0 CA B:PHE114 3.5 43.9 1.0 CD B:GLN353 3.5 37.6 1.0 HE22 B:GLN353 3.6 52.2 1.0 CB B:PHE114 3.6 45.0 1.0 C B:PHE114 3.7 42.9 1.0 HB2 B:ALA118 3.8 47.6 1.0 CB B:THR146 3.8 28.5 1.0 CG1 B:VAL142 3.8 32.9 1.0 HG12 B:VAL142 3.9 39.6 1.0 HG11 B:VAL142 3.9 39.6 1.0 CG B:PHE114 3.9 43.3 1.0 CG2 B:THR146 4.0 34.9 1.0 HD12 B:ILE117 4.0 45.5 1.0 HG22 B:ILE117 4.0 47.8 1.0 H B:ALA118 4.1 47.7 1.0 HD1 B:PHE114 4.2 48.5 1.0 CD1 B:PHE114 4.2 40.4 1.0 HG23 B:THR146 4.2 42.0 1.0 CB B:ILE117 4.3 44.0 1.0 HB B:THR146 4.4 34.2 1.0 HG21 B:ILE117 4.5 47.8 1.0 CG2 B:ILE117 4.5 39.8 1.0 HA B:THR146 4.5 35.7 1.0 N B:ALA118 4.5 39.7 1.0 HB2 B:PHE114 4.6 54.1 1.0 HA B:GLN353 4.6 39.0 1.0 CB B:GLN353 4.6 34.6 1.0 CD2 B:PHE114 4.6 45.5 1.0 O B:VAL142 4.6 28.1 1.0 CB B:ALA118 4.7 39.6 1.0 HG23 B:VAL357 4.7 50.5 1.0 CA B:THR146 4.8 29.7 1.0 OE1 B:GLN353 4.8 32.3 1.0 HG22 B:THR146 4.8 42.0 1.0 HB2 B:GLN353 4.8 41.6 1.0 HD2 B:PHE114 4.8 54.7 1.0 N B:PHE114 4.8 45.6 1.0 CD1 B:ILE117 4.9 38.2 1.0 HB3 B:ALA118 5.0 47.6 1.0 HA B:ALA118 5.0 48.2 1.0

Potassium binding site 3 out of 3 in the Structure of P450BLT From Micromonospora Sp. Mw-13


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structure of P450BLT From Micromonospora Sp. Mw-13 within 5.0Å range: probe atom residue distance (Å) B Occ C:K403 b:78.1 occ:1.00 OD1 C:ASP272 2.6 49.2 1.0 H C:GLY332 2.7 68.5 1.0 O C:HOH577 2.7 37.9 1.0 HG3 C:ARG331 2.9 77.6 1.0 HA2 C:GLY332 3.1 57.3 1.0 O C:HOH510 3.2 37.8 1.0 HE2 C:HIS334 3.4 54.4 1.0 N C:GLY332 3.4 57.0 1.0 HD3 C:ARG331 3.5 80.1 1.0 CG C:ASP272 3.6 49.5 1.0 HD2 C:ARG331 3.6 80.1 1.0 CA C:GLY332 3.7 47.7 1.0 CG C:ARG331 3.7 64.6 1.0 NE2 C:HIS334 3.7 45.3 1.0 HD2 C:HIS334 3.7 43.7 1.0 CD C:ARG331 3.8 66.6 1.0 OD2 C:ASP272 3.9 50.8 1.0 CD2 C:HIS334 3.9 36.4 1.0 O C:HOH562 4.2 44.3 1.0 HG2 C:ARG331 4.2 77.6 1.0 HA C:ARG331 4.5 71.0 1.0 HA3 C:GLY332 4.5 57.3 1.0 H C:LEU333 4.5 58.1 1.0 C C:GLY332 4.6 50.9 1.0 C C:ARG331 4.6 51.2 1.0 CE1 C:HIS334 4.7 39.4 1.0 H C:HIS334 4.8 47.2 1.0 N C:LEU333 4.8 48.3 1.0 HB2 C:ASP272 4.8 54.9 1.0 CB C:ASP272 4.8 45.6 1.0 CA C:ARG331 4.9 59.1 1.0 CB C:ARG331 4.9 60.1 1.0 CG C:HIS334 4.9 41.2 1.0

M.H.Hansen, A.Keto, M.Treisman, V.M.Sasi, L.Coe, Y.Zhao, L.Padva, C.Hess, V.Leichthammer, D.L.Machell, R.B.Schittenhelm, C.J.Jackson, J.Tailhades, M.Crusemann, J.J.De Voss, E.H.Krenske, M.J.Cryle. Structural Insights Into A Side Chain Cross-Linking Biarylitide P450 From Ripp Biosynthesis Acs Catalysis 812 2024.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.3C05417