Calcium in PDB 5az1: Crystal Structure of Aldo-Keto Reductase (AKR2E5) Complexed with Nadph

The structure of Crystal Structure of Aldo-Keto Reductase (AKR2E5) Complexed with Nadph, PDB code: 5az1 was solved by K.Yamamoto, A.Higashiura, M.Suzuki, A.Nakagawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.10 / 2.30
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	111.952, 111.952, 147.651, 90.00, 90.00, 120.00
R / Rfree (%)	15.9 / 20.6

The binding sites of Calcium atom in the Crystal Structure of Aldo-Keto Reductase (AKR2E5) Complexed with Nadph (pdb code 5az1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Aldo-Keto Reductase (AKR2E5) Complexed with Nadph, PDB code: 5az1:

Calcium binding site 1 out of 1 in the Crystal Structure of Aldo-Keto Reductase (AKR2E5) Complexed with Nadph


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 Aldo-Keto Reductase (AKR2E5) Complexed with Nadph within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:33.9 occ:1.00 O A:HOH720 2.9 42.8 1.0 O A:HOH729 3.0 42.2 1.0 NE A:ARG96 3.0 28.5 1.0 N A:ASP129 3.2 17.2 1.0 CD A:ARG96 3.5 27.3 1.0 N A:HIS130 3.5 19.8 1.0 CB A:ASP129 3.7 17.2 0.5 O A:HIS130 3.7 16.5 1.0 CG A:ARG96 3.7 29.8 1.0 CE1 A:HIS130 3.8 21.5 1.0 ND1 A:HIS130 3.8 21.2 1.0 CB A:LEU128 3.8 18.0 1.0 CA A:ASP129 3.9 18.3 0.5 CA A:ASP129 3.9 20.3 0.5 CB A:ASP129 3.9 22.0 0.5 CA A:LEU128 4.0 18.4 1.0 C A:LEU128 4.1 17.1 1.0 CD2 A:LEU128 4.1 21.5 1.0 CZ A:ARG96 4.1 23.3 1.0 NE2 A:HIS130 4.1 21.2 1.0 CG A:HIS130 4.2 20.1 1.0 C A:ASP129 4.2 20.5 1.0 O A:HOH736 4.3 33.9 1.0 NH2 A:ARG96 4.4 22.2 1.0 CD2 A:HIS130 4.4 20.1 1.0 C A:HIS130 4.5 17.6 1.0 CG A:LEU128 4.5 19.8 1.0 CA A:HIS130 4.5 19.0 1.0 CG A:ASP129 4.7 25.7 0.5 OD2 A:ASP129 4.8 29.9 0.5 CG A:ASP129 4.8 17.1 0.5 OD2 A:ASP129 4.9 15.4 0.5 CB A:HIS130 4.9 20.2 1.0 O A:HOH632 5.0 53.3 1.0 CB A:ARG96 5.0 31.2 1.0

K.Yamamoto, A.Higashiura, M.Suzuki, T.Shiotsuki, R.Sugahara, T.Fujii, A.Nakagawa. Structural Characterization of An Aldo-Keto Reductase (AKR2E5) From the Silkworm Bombyx Mori Biochem.Biophys.Res.Commun. V. 474 104 2016.
ISSN: ESSN 1090-2104
PubMed: 27103441
DOI: 10.1016/J.BBRC.2016.04.079