steroid dehydrogenase activity / alcohol dehydrogenase (NADP+) activity / : / response to water deprivation / aldo-keto reductase (NADPH) activity / Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor / NADP+ binding / aldose reductase (NADPH) activity / response to cadmium ion / response to salt stress ...steroid dehydrogenase activity / alcohol dehydrogenase (NADP+) activity / : / response to water deprivation / aldo-keto reductase (NADPH) activity / Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor / NADP+ binding / aldose reductase (NADPH) activity / response to cadmium ion / response to salt stress / response to cold / response to toxic substance / oxidoreductase activity / endoplasmic reticulum / cytosol Similarity search - Function
Aldo/keto reductase family putative active site signature. / Aldo/keto reductase family signature 1. / NADP-dependent oxidoreductase domain / Aldo/keto reductase family signature 2. / Aldo/keto reductase, conserved site / Aldo-keto reductase / NADP-dependent oxidoreductase domain / Aldo/keto reductase family / NADP-dependent oxidoreductase domain superfamily / TIM Barrel ...Aldo/keto reductase family putative active site signature. / Aldo/keto reductase family signature 1. / NADP-dependent oxidoreductase domain / Aldo/keto reductase family signature 2. / Aldo/keto reductase, conserved site / Aldo-keto reductase / NADP-dependent oxidoreductase domain / Aldo/keto reductase family / NADP-dependent oxidoreductase domain superfamily / TIM Barrel / Alpha-Beta Barrel / Alpha Beta Similarity search - Domain/homology
ACETATE ION / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / Aldo-keto reductase family 4 member C8 Similarity search - Component
Resolution: 1.4→28.24 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.958 / SU B: 1.932 / SU ML: 0.038 / Cross valid method: THROUGHOUT / ESU R: 0.057 / ESU R Free: 0.06 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.18303
3201
5.1 %
RANDOM
Rwork
0.15505
-
-
-
obs
0.15646
59308
99.06 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parameters
Biso mean: 14.198 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.03 Å2
0 Å2
-0.19 Å2
2-
-
0.02 Å2
0 Å2
3-
-
-
-0.05 Å2
Refinement step
Cycle: LAST / Resolution: 1.4→28.24 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2585
0
106
417
3108
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.01
0.022
2773
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
1949
X-RAY DIFFRACTION
r_angle_refined_deg
1.434
2.008
3787
X-RAY DIFFRACTION
r_angle_other_deg
0.865
3
4836
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.12
5
365
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
38.702
25.351
114
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.4
15
524
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
8.151
15
9
X-RAY DIFFRACTION
r_chiral_restr
0.077
0.2
424
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.021
3003
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
501
X-RAY DIFFRACTION
r_nbd_refined
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
X-RAY DIFFRACTION
r_symmetry_hbond_other
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
X-RAY DIFFRACTION
r_symmetry_metal_ion_other
X-RAY DIFFRACTION
r_mcbond_it
0.611
1.5
1629
X-RAY DIFFRACTION
r_mcbond_other
0.168
1.5
654
X-RAY DIFFRACTION
r_mcangle_it
1.108
2
2667
X-RAY DIFFRACTION
r_scbond_it
1.821
3
1144
X-RAY DIFFRACTION
r_scangle_it
2.886
4.5
1087
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS refinement shell
Resolution: 1.4→1.436 Å / Total num. of bins used: 20
Rfactor
Num. reflection
% reflection
Rfree
0.253
230
-
Rwork
0.255
4397
-
obs
-
-
99.74 %
Refinement TLS params.
Method: refined / Origin x: 60.878 Å / Origin y: -0.029 Å / Origin z: 17.734 Å
11
12
13
21
22
23
31
32
33
T
-0.0458 Å2
0.0133 Å2
0.0242 Å2
-
-0.0762 Å2
-0.0203 Å2
-
-
-0.0266 Å2
L
1.1713 °2
-0.0404 °2
-0.2778 °2
-
0.2879 °2
-0.0652 °2
-
-
1.0175 °2
S
-0.0289 Å °
0.0515 Å °
-0.0126 Å °
-0.0122 Å °
-0.0211 Å °
-0.0183 Å °
0.063 Å °
0.0062 Å °
0.0501 Å °
+
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