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Calcium in PDB 5a9t: Imine Reductase From Amycolatopsis Orientalis in Complex with (R)-Methyltetrahydroisoquinoline

Enzymatic activity of Imine Reductase From Amycolatopsis Orientalis in Complex with (R)-Methyltetrahydroisoquinoline

All present enzymatic activity of Imine Reductase From Amycolatopsis Orientalis in Complex with (R)-Methyltetrahydroisoquinoline:
1.5.1.48;

Protein crystallography data

The structure of Imine Reductase From Amycolatopsis Orientalis in Complex with (R)-Methyltetrahydroisoquinoline, PDB code: 5a9t was solved by H.Man, G.Aleku, N.J.Turner, G.Grogan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.10 / 1.50
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 79.999, 91.050, 90.976, 90.00, 90.00, 90.00
R / Rfree (%) 18.12 / 20.828

Calcium Binding Sites:

The binding sites of Calcium atom in the Imine Reductase From Amycolatopsis Orientalis in Complex with (R)-Methyltetrahydroisoquinoline (pdb code 5a9t). 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 Imine Reductase From Amycolatopsis Orientalis in Complex with (R)-Methyltetrahydroisoquinoline, PDB code: 5a9t:

Calcium binding site 1 out of 1 in 5a9t

Go back to Calcium Binding Sites List in 5a9t
Calcium binding site 1 out of 1 in the Imine Reductase From Amycolatopsis Orientalis in Complex with (R)-Methyltetrahydroisoquinoline


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Imine Reductase From Amycolatopsis Orientalis in Complex with (R)-Methyltetrahydroisoquinoline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1292

b:34.5
occ:1.00
O A:HOH2110 2.4 37.9 1.0
O A:ARG290 2.4 30.3 1.0
O A:HOH2109 2.5 30.0 1.0
OXT A:ARG290 2.6 28.0 1.0
C A:ARG290 2.9 24.6 1.0
CA A:ARG290 4.4 20.7 1.0
CB A:ARG290 5.0 20.5 1.0

Reference:

G.A.Aleku, H.Man, S.P.France, F.Leipold, S.Hussain, L.Toca-Gonzalez, R.Marchington, S.Hart, J.P.Turkenburg, G.Grogan, N.J.Turner. Stereoselectivity and Structural Characterization of An Imine Reductase (Ired) From Amycolatopsis Orientalis Acs Catalysis V. 6 3880 2016.
ISSN: ISSN 2155-5435
DOI: 10.1021/ACSCATAL.6B00782
Page generated: Sat Dec 12 05:17:01 2020

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