Calcium in PDB 1fmj: Crystal Structure of Mercury Derivative of Retinol Dehydratase in A Complex with Retinol and Pap

The structure of Crystal Structure of Mercury Derivative of Retinol Dehydratase in A Complex with Retinol and Pap, PDB code: 1fmj was solved by S.Pakhomova, M.Kobayashi, J.Buck, M.E.Newcomer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	79.429, 66.183, 83.336, 90.00, 108.89, 90.00
R / Rfree (%)	23.1 / 26.4

The structure of Crystal Structure of Mercury Derivative of Retinol Dehydratase in A Complex with Retinol and Pap also contains other interesting chemical elements:

Mercury

(Hg)

8 atoms

The binding sites of Calcium atom in the Crystal Structure of Mercury Derivative of Retinol Dehydratase in A Complex with Retinol and Pap (pdb code 1fmj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Mercury Derivative of Retinol Dehydratase in A Complex with Retinol and Pap, PDB code: 1fmj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Mercury Derivative of Retinol Dehydratase in A Complex with Retinol and Pap


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Mercury Derivative of Retinol Dehydratase in A Complex with Retinol and Pap within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:54.4 occ:1.00 OD1 A:ASN121 2.4 29.8 1.0 O A:GLU118 2.5 26.5 1.0 OD1 A:ASP122 2.7 32.7 1.0 CG A:ASP122 3.4 32.3 1.0 OD2 A:ASP122 3.4 32.1 1.0 CG A:ASN121 3.5 31.2 1.0 C A:GLU118 3.6 27.7 1.0 ND2 A:ASN121 3.8 33.0 1.0 CA A:GLU118 4.2 27.7 1.0 CB A:GLU118 4.4 28.4 1.0 N A:GLU119 4.7 28.5 1.0 N A:ASP122 4.8 30.4 1.0 CB A:ASN121 4.8 30.0 1.0 CB A:ASP122 4.8 31.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Mercury Derivative of Retinol Dehydratase in A Complex with Retinol and Pap


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Mercury Derivative of Retinol Dehydratase in A Complex with Retinol and Pap within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca502 b:64.3 occ:1.00 OD1 B:ASN121 2.4 36.7 1.0 O B:GLU118 2.4 26.3 1.0 OD1 B:ASP122 2.8 39.5 1.0 CG B:ASN121 3.3 35.0 1.0 OD2 B:ASP122 3.4 39.0 1.0 CG B:ASP122 3.4 37.1 1.0 ND2 B:ASN121 3.5 36.9 1.0 C B:GLU118 3.6 27.4 1.0 CA B:GLU118 4.2 27.6 1.0 CB B:GLU118 4.5 28.5 1.0 N B:ASP122 4.5 32.7 1.0 N B:GLU119 4.6 28.4 1.0 CB B:ASN121 4.7 33.8 1.0 CB B:ASP122 4.7 35.4 1.0 CA B:GLU119 4.9 29.6 1.0 CA B:ASP122 5.0 33.1 1.0 C B:ASN121 5.0 31.8 1.0

S.Pakhomova, M.Kobayashi, J.Buck, M.E.Newcomer. A Helical Lid Converts A Sulfotransferase to A Dehydratase. Nat.Struct.Biol. V. 8 447 2001.
ISSN: ISSN 1072-8368
PubMed: 11323722
DOI: 10.1038/87617