Calcium in PDB 5wqf: Strucutre of Fungal Meroterpenoid Isomerase TRT14

The structure of Strucutre of Fungal Meroterpenoid Isomerase TRT14, PDB code: 5wqf was solved by T.Mori, T.Iwabuchi, Y.Matsuda, I.Abe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.82 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	100.610, 47.660, 121.440, 90.00, 108.07, 90.00
R / Rfree (%)	21.4 / 24.7

The binding sites of Calcium atom in the Strucutre of Fungal Meroterpenoid Isomerase TRT14 (pdb code 5wqf). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the Strucutre of Fungal Meroterpenoid Isomerase TRT14, PDB code: 5wqf:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in the Strucutre of Fungal Meroterpenoid Isomerase TRT14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Strucutre of Fungal Meroterpenoid Isomerase TRT14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:47.2 occ:1.00 OE1 A:GLU62 2.5 39.7 1.0 ND2 A:ASN59 2.5 40.3 1.0 O A:HOH328 2.5 45.9 1.0 CD A:GLU62 3.5 44.5 1.0 CG A:ASN59 3.5 44.9 1.0 OE2 A:GLU62 3.8 47.1 1.0 CB A:ASN59 4.0 40.4 1.0 CA A:ASN59 4.3 34.7 1.0 OD1 A:ASN59 4.4 47.0 1.0 O A:ASN59 4.8 37.0 1.0 CG A:GLU62 4.8 41.2 1.0

Calcium binding site 2 out of 9 in the Strucutre of Fungal Meroterpenoid Isomerase TRT14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Strucutre of Fungal Meroterpenoid Isomerase TRT14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:56.0 occ:1.00 OD1 A:ASP138 2.6 56.5 1.0 OD2 A:ASP138 2.9 60.5 1.0 CG A:ASP138 3.1 52.4 1.0 O A:GLU134 4.5 49.1 1.0 CB A:ASP138 4.6 48.6 1.0 O A:HOH365 4.7 53.3 1.0 CB A:GLU134 4.8 43.2 1.0

Calcium binding site 3 out of 9 in the Strucutre of Fungal Meroterpenoid Isomerase TRT14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Strucutre of Fungal Meroterpenoid Isomerase TRT14 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:78.3 occ:1.00 O B:HOH375 2.3 60.9 1.0 O B:HOH370 3.1 54.8 1.0 O B:ILE97 3.9 43.7 1.0 O B:THR96 4.2 39.0 1.0 C B:ILE97 4.2 42.2 1.0 NZ B:LYS65 4.5 46.7 1.0 CA B:ILE97 4.5 40.5 1.0 N B:GLY99 4.7 33.6 1.0 N B:VAL98 4.9 39.2 1.0

Calcium binding site 4 out of 9 in the Strucutre of Fungal Meroterpenoid Isomerase TRT14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Strucutre of Fungal Meroterpenoid Isomerase TRT14 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:69.3 occ:1.00 O B:HOH302 2.3 54.3 1.0 OD1 B:ASP138 2.5 51.7 1.0 CG B:ASP138 3.5 52.1 1.0 OD2 B:ASP138 3.8 58.0 1.0 O B:GLU134 4.4 50.5 1.0 CB B:ASP138 4.9 47.4 1.0 OE2 B:GLU134 5.0 73.0 1.0 N B:ASP138 5.0 47.6 1.0

Calcium binding site 5 out of 9 in the Strucutre of Fungal Meroterpenoid Isomerase TRT14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Strucutre of Fungal Meroterpenoid Isomerase TRT14 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca201 b:58.6 occ:1.00 O C:ILE97 2.4 42.0 1.0 O C:HOH345 2.6 56.2 1.0 O C:HOH348 2.8 59.7 1.0 C C:ILE97 3.6 46.0 1.0 CA C:ILE97 4.2 42.9 1.0 CB C:ILE97 4.5 42.4 1.0 N C:VAL98 4.6 40.9 1.0 CA C:VAL98 4.8 40.2 1.0

Calcium binding site 6 out of 9 in the Strucutre of Fungal Meroterpenoid Isomerase TRT14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Strucutre of Fungal Meroterpenoid Isomerase TRT14 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca202 b:84.8 occ:1.00 OD1 C:ASP138 2.9 71.7 1.0 OD2 C:ASP138 3.5 66.6 1.0 CG C:ASP138 3.6 63.6 1.0 OE2 C:GLU134 4.5 62.2 1.0 O C:GLU134 4.6 49.5 1.0 CB C:GLU134 4.8 45.5 1.0

Calcium binding site 7 out of 9 in the Strucutre of Fungal Meroterpenoid Isomerase TRT14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Strucutre of Fungal Meroterpenoid Isomerase TRT14 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca201 b:75.5 occ:1.00 OD1 D:ASP138 2.5 67.4 1.0 OD2 D:ASP138 2.7 70.4 1.0 CG D:ASP138 2.9 63.7 1.0 CB D:ASP138 4.4 63.7 1.0 O D:GLU134 4.5 59.9 1.0 CB D:GLU134 5.0 51.1 1.0

Calcium binding site 8 out of 9 in the Strucutre of Fungal Meroterpenoid Isomerase TRT14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Strucutre of Fungal Meroterpenoid Isomerase TRT14 within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca201 b:76.1 occ:1.00 OD1 E:ASP138 2.1 67.6 1.0 CG E:ASP138 2.9 64.1 1.0 OD2 E:ASP138 3.0 69.6 1.0 CB E:ASP138 4.3 64.4 1.0 O E:HOH319 4.5 55.1 1.0 O E:GLU134 4.6 53.4 1.0 CB E:GLU134 4.8 50.2 1.0 OE1 E:GLU134 5.0 60.0 1.0

Calcium binding site 9 out of 9 in the Strucutre of Fungal Meroterpenoid Isomerase TRT14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Strucutre of Fungal Meroterpenoid Isomerase TRT14 within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca201 b:77.8 occ:1.00 O F:HOH302 2.7 58.2 1.0 OD2 F:ASP138 2.9 67.4 1.0 O F:HOH319 3.0 59.8 1.0 OD1 F:ASP138 3.0 70.5 1.0 CG F:ASP138 3.3 63.9 1.0 O F:GLU134 4.6 57.5 1.0 CB F:ASP138 4.9 62.0 1.0

T.Mori, T.Iwabuchi, S.Hoshino, H.Wang, Y.Matsuda, I.Abe. Molecular Basis For the Unusual Ring Reconstruction in Fungal Meroterpenoid Biogenesis Nat. Chem. Biol. V. 13 1066 2017.
ISSN: ESSN 1552-4469
PubMed: 28759016
DOI: 10.1038/NCHEMBIO.2443