Calcium in PDB 5wqg: Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D

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

Resolution Low / High (Å)	36.48 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	99.440, 47.130, 121.130, 90.00, 107.97, 90.00
R / Rfree (%)	19.6 / 24.5

The binding sites of Calcium atom in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D (pdb code 5wqg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D, PDB code: 5wqg:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:73.2 occ:1.00 OD2 A:ASP138 2.3 62.9 1.0 OD1 A:ASP138 2.4 56.9 1.0 CG A:ASP138 2.7 55.7 1.0 OE1 A:GLU134 2.7 63.0 1.0 CG A:GLU134 3.5 53.4 1.0 O A:HOH323 3.5 57.7 1.0 CD A:GLU134 3.5 61.0 1.0 O A:HOH307 3.9 52.8 1.0 CB A:ASP138 4.2 54.8 1.0 O A:GLU134 4.5 48.0 1.0 OE2 A:GLU134 4.7 62.0 1.0 CB A:GLU134 4.9 39.3 1.0

Calcium binding site 2 out of 6 in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:72.9 occ:1.00 OD1 B:ASP138 2.3 56.0 1.0 OD2 B:ASP138 2.4 59.2 1.0 CG B:ASP138 2.7 60.4 1.0 OE2 B:GLU134 2.7 74.4 1.0 CD B:GLU134 3.6 70.4 1.0 CG B:GLU134 3.8 63.8 1.0 CB B:ASP138 4.2 57.7 1.0 OE1 B:GLU134 4.8 70.2 1.0 O B:GLU134 4.9 57.5 1.0 CA B:ASP138 5.0 56.0 1.0

Calcium binding site 3 out of 6 in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca202 b:61.1 occ:1.00 OD2 C:ASP138 2.5 60.2 1.0 O C:HOH304 2.6 54.5 1.0 OD1 C:ASP138 2.6 57.0 1.0 CG C:ASP138 2.9 53.8 1.0 O C:GLU134 4.2 45.9 1.0 CB C:ASP138 4.4 48.2 1.0 CB C:GLU134 5.0 37.3 1.0 C C:GLU134 5.0 44.0 1.0

Calcium binding site 4 out of 6 in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca202 b:61.9 occ:1.00 OD1 D:ASP138 2.2 56.5 1.0 OD2 D:ASP138 2.3 59.3 1.0 O D:HOH305 2.6 47.9 1.0 CG D:ASP138 2.6 53.1 1.0 O D:HOH308 2.7 54.9 1.0 CB D:ASP138 4.1 48.9 1.0 O D:GLU134 4.3 49.8 1.0 CA D:ASP138 4.9 53.2 1.0 C D:GLU134 5.0 47.9 1.0

Calcium binding site 5 out of 6 in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca201 b:58.1 occ:1.00 OD2 E:ASP138 2.5 55.1 1.0 OD1 E:ASP138 2.5 61.4 1.0 O E:HOH315 2.7 47.0 1.0 O E:HOH303 2.7 53.7 1.0 CG E:ASP138 2.8 56.2 1.0 O E:GLU134 4.3 44.9 1.0 CB E:ASP138 4.3 51.8 1.0 CB E:GLU134 4.9 46.4 1.0 C E:GLU134 4.9 47.0 1.0

Calcium binding site 6 out of 6 in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Terretonin D within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca202 b:51.0 occ:1.00 OD1 F:ASP138 2.3 50.0 1.0 O F:HOH331 2.4 49.1 1.0 O F:HOH306 2.5 51.1 1.0 OD2 F:ASP138 2.5 53.4 1.0 O F:HOH322 2.6 45.0 1.0 CG F:ASP138 2.8 48.6 1.0 O F:GLU134 4.3 44.8 1.0 CB F:ASP138 4.3 48.8 1.0 C F:GLU134 4.7 46.9 1.0 CB F:GLU134 4.8 44.9 1.0 CA F:SER135 5.0 43.5 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