Crystal Structure of NADPH-Dependent Methylglyoxal Reductase Gre2 from Candida Albicans
Abstract
:1. Instruction
2. Materials and Methods
2.1. Overexpression and Purification of CaGre2
2.2. Crystallization
2.3. Data Collection, Structure Solution, and Refinement
3. Results
3.1. Overall Structure of CaGre2
3.2. Structural Comparisons between CaGre2 and Homologous Proteins
3.3. NADPH Binding Site
3.4. Comparisons of NAD(P)H Binding Sites
4. Discussion
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Crystallographic Data | CaGre2-apo | CaGre2-NADPH Complex |
---|---|---|
Data Collection | ||
Space group | I23 | I23 |
a, b, c (Å) | 149.59, 149.59, 149.59 | 152.45, 152.45, 152.45 |
α, β, γ (˚) | 90, 90, 90 | 90, 90, 90 |
Resolution range (Å) | 50.0–2.8 (2.9−2.8)a | 50.0–3.02 (3.07−3.02) |
No. of total reflections | 144,851 | 482,172 |
No. of unique reflections | 13,918 | 11,745 |
Completeness (%) | 100 (100) | 100 (100) |
Multiplicity | 10.4 | 41.1 |
I/σI | 43.8 (8.8) | 32 (1.9) |
Rmerge (%)b | 11.4 (53.1) | 14.2 (186.8) |
CC1/2f | 0.998 (0.949) | 0.999 (0.815) |
Refinement | ||
Resolution range (Å) | 35.0–2.8 | 50.0–3.02 |
No. of reflections | 13,912 | 11,745 |
Rworkc/Rfreed (%) | 17.2/21.1 | 19.8/26.2 |
R.M.S. deviation | ||
Bond lengths (Å) | 0.010 | 0.009 |
Bond angles (o) | 1.034 | 1.034 |
Average B-factor | ||
Protein | 47.9 | 91.2 |
Solvent | 39.2 | |
Ligand | 136.3 | |
Ramachandran plotg | ||
Most favored (%) | 97.89 | 92.26 |
Additional allowed (%) | 1.51 | 5.95 |
PDB code | 6KWS | 6KWT |
Protein Name | Species | Z-Score | r.m.s.d (Å) | Structural Features a,b | |||
---|---|---|---|---|---|---|---|
β7 | β3′ | α11 | α12 | ||||
ScGre2 | S. cerevisiae | 47.2 | 1.3 | s | s A268–T271 | h | l |
SsCR | S. stipitis | 45.3 | 1.4 | s | s R265–N267 | h | l |
MtCAD2 | M. truncatula | 35.4 | 2.2 | s | s V257–H259 | h | l |
SbCCR1 | S. bicolor | 33.1 | 2.5 | s | s R275–H278 | h | l |
HsUGE | H. sapiens | 26.1 | 3.1 | s | s Y275–S276 | h | s Y294–V297 |
EcUGE | E. coli | 26 | 3.0 | s | l | h | s Y286–A289 |
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Nguyen, G.T.; Kim, S.; Jin, H.; Cho, D.-H.; Chun, H.-S.; Kim, W.-K.; Chang, J.H. Crystal Structure of NADPH-Dependent Methylglyoxal Reductase Gre2 from Candida Albicans. Crystals 2019, 9, 471. https://doi.org/10.3390/cryst9090471
Nguyen GT, Kim S, Jin H, Cho D-H, Chun H-S, Kim W-K, Chang JH. Crystal Structure of NADPH-Dependent Methylglyoxal Reductase Gre2 from Candida Albicans. Crystals. 2019; 9(9):471. https://doi.org/10.3390/cryst9090471
Chicago/Turabian StyleNguyen, Giang Thu, Shinae Kim, Hyeonseok Jin, Dong-Hyung Cho, Hang-Suk Chun, Woo-Keun Kim, and Jeong Ho Chang. 2019. "Crystal Structure of NADPH-Dependent Methylglyoxal Reductase Gre2 from Candida Albicans" Crystals 9, no. 9: 471. https://doi.org/10.3390/cryst9090471