Calcium in PDB 1fml: Crystal Structure of Retinol Dehydratase in A Complex with Retinol and Pap

The structure of Crystal Structure of Retinol Dehydratase in A Complex with Retinol and Pap, PDB code: 1fml 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)	38.45 / 2.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	82.053, 66.612, 84.904, 90.00, 111.29, 90.00
R / Rfree (%)	22.2 / 27.3

The binding sites of Calcium atom in the Crystal Structure of Retinol Dehydratase in A Complex with Retinol and Pap (pdb code 1fml). 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 Retinol Dehydratase in A Complex with Retinol and Pap, PDB code: 1fml:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure 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 Retinol Dehydratase in A Complex with Retinol and Pap within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca450 b:83.6 occ:1.00 OD1 A:ASP122 2.3 72.4 1.0 OD1 A:ASN121 2.7 61.4 1.0 CG A:ASP122 3.1 72.4 1.0 OD2 A:ASP122 3.6 72.4 1.0 CG A:ASN121 3.7 61.4 1.0 N A:ASP122 4.0 48.5 1.0 CA A:ASP122 4.0 48.5 1.0 CB A:ASP122 4.1 72.4 1.0 C A:ASN121 4.4 60.5 1.0 ND2 A:ASN121 4.5 61.4 1.0 O A:GLU118 4.5 20.4 1.0 CB A:ASN121 4.5 61.4 1.0 CB A:PRO127 4.7 23.6 1.0 CG A:PRO127 4.7 23.6 1.0 O A:ASN121 4.8 60.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure 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 Retinol Dehydratase in A Complex with Retinol and Pap within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca550 b:85.0 occ:1.00 OD1 B:ASN121 2.3 56.1 1.0 OD1 B:ASP122 2.7 61.0 1.0 CG B:ASP122 3.2 61.0 1.0 OD2 B:ASP122 3.3 61.0 1.0 CG B:ASN121 3.4 56.1 1.0 O B:GLU118 3.6 33.8 1.0 ND2 B:ASN121 4.0 56.1 1.0 N B:ASP122 4.3 51.1 1.0 CB B:ASP122 4.4 61.0 1.0 CA B:ASP122 4.5 51.1 1.0 CB B:ASN121 4.6 56.1 1.0 C B:GLU118 4.6 33.8 1.0 C B:ASN121 4.8 41.5 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