Calcium in PDB 5wqi: Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Hydrolyzed Product

The structure of Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Hydrolyzed Product, PDB code: 5wqi 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)	47.30 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	99.520, 47.530, 121.210, 90.00, 108.09, 90.00
R / Rfree (%)	19.8 / 23.6

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

Calcium binding site 1 out of 7 in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Hydrolyzed Product


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 Hydrolyzed Product within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:32.6 occ:1.00 OE2 A:GLU134 2.4 32.5 1.0 OD2 A:ASP138 2.4 25.4 1.0 OD1 A:ASP138 2.5 28.9 1.0 CG A:ASP138 2.8 30.2 1.0 O A:HOH423 2.8 38.6 1.0 CD A:GLU134 3.3 36.3 1.0 CG A:GLU134 3.5 28.2 1.0 O A:HOH331 4.2 28.7 1.0 CB A:ASP138 4.3 26.1 1.0 O A:HOH424 4.4 42.6 1.0 OE1 A:GLU134 4.5 34.6 1.0 O A:HOH337 4.5 32.8 1.0 O A:GLU134 5.0 24.9 1.0

Calcium binding site 2 out of 7 in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Hydrolyzed Product


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 Hydrolyzed Product within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:32.4 occ:1.00 OE2 A:GLU62 2.4 29.5 1.0 OD1 A:ASN59 2.4 25.2 1.0 OE1 A:GLU62 2.5 24.5 1.0 CD A:GLU62 2.8 26.6 1.0 CG A:ASN59 3.4 26.2 1.0 O A:HOH386 3.6 39.3 1.0 O A:HOH441 3.6 39.2 1.0 O A:HOH304 4.1 25.2 1.0 CB A:ASN59 4.2 23.3 1.0 ND2 A:ASN59 4.2 27.7 1.0 CG A:GLU62 4.3 25.9 1.0 CA A:ASN59 4.3 23.0 1.0 O A:HOH394 4.8 31.6 1.0 O A:HOH419 4.9 41.9 1.0

Calcium binding site 3 out of 7 in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Hydrolyzed Product


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 Hydrolyzed Product within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:88.1 occ:1.00 O B:ASP138 3.3 29.1 1.0 C B:ASP138 4.5 28.1 1.0 CB B:ASP138 4.8 29.5 1.0

Calcium binding site 4 out of 7 in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Hydrolyzed Product


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 Hydrolyzed Product within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca201 b:45.2 occ:1.00 OD2 C:ASP138 2.2 45.6 1.0 OD1 C:ASP138 2.3 44.6 1.0 O C:HOH374 2.4 45.7 1.0 CG C:ASP138 2.6 40.6 1.0 O C:HOH379 2.6 45.2 1.0 O C:HOH309 2.8 40.3 1.0 O C:GLU134 4.1 33.6 1.0 CB C:ASP138 4.1 39.6 1.0 O C:HOH407 4.6 52.7 1.0 C C:GLU134 4.8 35.3 1.0 CA C:ASP138 4.9 39.0 1.0 CB C:GLU134 5.0 31.5 1.0

Calcium binding site 5 out of 7 in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Hydrolyzed Product


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 Hydrolyzed Product within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca201 b:44.1 occ:1.00 OE2 D:GLU134 2.5 40.3 1.0 OD2 D:ASP138 2.5 37.2 1.0 OD1 D:ASP138 2.6 41.5 1.0 CG D:ASP138 2.9 36.4 1.0 CD D:GLU134 3.4 46.9 1.0 CG D:GLU134 3.5 34.8 1.0 O D:HOH349 4.4 51.6 1.0 CB D:ASP138 4.4 32.8 1.0 OE1 D:GLU134 4.6 43.4 1.0 O D:GLU134 4.8 28.0 1.0

Calcium binding site 6 out of 7 in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Hydrolyzed Product


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 Hydrolyzed Product within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca201 b:42.9 occ:1.00 OD2 E:ASP138 2.2 41.9 1.0 OD1 E:ASP138 2.3 46.5 1.0 CG E:ASP138 2.5 40.6 1.0 CB E:ASP138 4.0 38.8 1.0 O E:GLU134 4.2 32.1 1.0 CA E:ASP138 4.9 39.1 1.0 C E:GLU134 4.9 31.0 1.0 CB E:GLU134 4.9 30.2 1.0

Calcium binding site 7 out of 7 in the Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Hydrolyzed Product


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Structure of Fungal Meroterpenoid Isomerase TRT14 Complexed with Hydrolyzed Product within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca201 b:34.8 occ:1.00 OD1 F:ASP138 2.3 44.7 1.0 OD2 F:ASP138 2.3 49.4 1.0 CG F:ASP138 2.6 41.1 1.0 O F:HOH372 2.6 36.0 1.0 O F:HOH341 4.0 33.1 1.0 O F:GLU134 4.1 34.0 1.0 CB F:ASP138 4.1 37.2 1.0 O F:HOH323 4.6 31.2 1.0 C F:GLU134 4.7 29.9 1.0 CB F:GLU134 4.8 26.6 1.0 CA F:ASP138 4.9 36.6 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