Table 3: Three-Dimensional Structures of AKR Proteins.
as of September 3, 2008
| AKR | Res. | Complex | PDB |
|---|---|---|---|
| 1A1 (Human ALR) | 2.48 Å | NADP | 2ALR |
| 1A2 (Porcine ALR) | 2.40 Å | NADP, tolrestat | 1AE4 |
| 1A2 | 2.00 Å | NADP | 1CWN |
| 1A2 | 1.85 Å | NADP, fidarestat | 2AO0 |
| 1A2 ---Y50F | 2.20 Å | NADP | 1HQT |
| 1B1 (human ADR) | 1.65 Å | NADP | 1ADS |
| 1B1 | 1.80 Å | NADP, zopolrestat | 1MAR |
| 1B1 | 1.76 Å | NADP, citrate | 2ACS |
| 1B1 | 1.76 Å | NADP, cacodylate | 2ACR |
| 1B1 | 1.76 Å | NADP, glucose-6-phosphate | 2ACQ |
| 1B1 | 2.80 Å | NADP, fidarestat | 1EF3 |
| 1B1 | 1.70 Å | NADP, IDD384 | 1EL3 |
| 1B1 | 2.50 Å | NADP, zenarestat | 1IEI |
| 1B1 | 1.80 Å | NADP, IDD552, pH 5 | 1T40 |
| 1B1 | 1.05 Å | NADP, IDD552 | 1T41 |
| 1B1 | 0.66 Å | NADP, IDD594 | 1US0 |
| 1B1 | 1.10 Å | NADP, minalrestat | 1PWL |
| 1B1 | 0.92 Å | NADP, fidarestat | 1PWM |
| 1B1 | 1.40 Å | NADP, citrate | 1X96 |
| 1B1 | 1.40 Å | NADP, fidarestat stereoisomer 2R4S | 1X97 |
| 1B1 | 1.30 Å | NADP, fidarestat stereoisomer 2S4R | 1X98 |
| 1B1 --- C298A | 2.40 Å | NADPH | 1ABN |
| 1B1 --- R268A | 2.10 Å | Apo | 1XGD |
| 1B1 --- Y48H | 1.76 Å | NADP, citrate | 2ACU |
| 1B1 --- W219Y/C298A | 1.80 Å | NADP, alrestatin | 1AZ1 |
| 1B1 --- W219Y/C298A | 2.90 Å | NADP, citrate | 1AZ2 |
| 1B1 --- L300P | 1.00 Å | NADP, fidarestat | 2AGT |
| 1B1 | 1.90 Å | NADP, phenylacetic acid | 2INE |
| 1B1 --- W219Y/C298A | 2.00 Å | NADP, phenylacetic acid | 2ISF |
| 1B1 | 1.70 Å | NADP, dichlorophenylacetic acid | 2IS7 |
| 1B1 | 2.00 Å | NADP, lipoic acid | 2IQD |
| 1B1 | 1.95 Å | NADP, hexanoic acid | 2IQ0 |
| 1B1 --- W219Y/C298A | 2.00 Å | NADP, dichlorophenylacetic acid | 2IPW |
| 1B1 | 1.95 Å | NADP, hydroxyphenylacetic acid | 2INZ |
| 1B6 (porcine ADR) | 3.00 Å | ADPRP | 1DLA |
| 1B6 | 2.00 Å | NADP | 1AH4 |
| 1B6 | 2.30 Å | NADP, tolrestat | 1AH3 |
| 1B6 | 2.30 Å | NADP, sorbinil | 1AH0 |
| 1B6 | 2.20 Å | NADP, IDD384 | 1EKO |
| 1B8 (mouse FR-1) | 1.70 Å | NADP, zopolrestat | 1FRB |
| 1B9 (CHO AKR) | 2.40 Å | NADP | 1C9W |
| 1B10 | 1.25 Å | NADP, tolrestat | 1ZUA |
| 1C1 | 1.59 Å | NADP, 20a-hydroxyprogesterone | 1MRQ |
| 1C2 (human 3a-HSD type 3) | 3.00 Å | NADP, ursodeoxycholate | 1IHI |
| 1C2 | 1.25 Å | NADP, testosterone | IJ96 |
| 1C2 | 1.90 Å | NADP, citrate, acetate | 1XJB |
| 1C3 (human 17b-HSD type 5) | 1.69 Å | NADP, PGD2 | 1RY0 |
| 1C3 | 1.69 Å | NADP, rutin | 1RY8 |
| 1C3 | 1.20 Å | NADP, acetate | 1S1P |
| 1C3 | 2.00 Å | NADP, acetate | 1S1R |
| 1C3 | 1.70 Å | NADP, indomethacin | 1S2A |
| 1C3 | 1.80 Å | NADP, flufenamic acid | 1S2C |
| 1C3 | 2.00 Å | NADP, 4-androstenedione-3,17-dione | 1XF0 |
| 1C3 | 1.30 Å | NADP, EM1404 | 1ZQ5 |
| 1C3 | 2.40 Å | NADP, PEG | 2FGB |
| 1C4 (human 3a-HSD type 1) | 2.40 Å | NADP | 2FVL |
| 1C5 (rabbit 20a-HSD type 3) | 2.08 Å | NADP, testosterone | 1Q13 |
| 1C5 | 1.32 Å | NADP | 1Q5M |
| 1C9 (rat 3a-HSD) | 3.00 Å | Apo | 1RAL |
| 1C9 | 2.70 Å | NADP | 1LWI |
| 1C9 | 2.50 Å | NADP + testosterone | 1AFS |
| 1D1 (human 5b-reductase) | 1.90 Å | NADP + cortisone | 3CMF |
| 1D1 | 1.79 Å | NADP + glycerol | 3BV7 |
| 1D1 | 2.03 Å | NADP + progesterone | 3COT |
| 1D1 | 1.62 Å | NADP + testosterone | 3BUR |
| 1D1 | 1.35 Å | NADP + HEPES | 3BUV |
| 1D1 | 1.9 Å | NADP + 5beta-pregnan-3,20-dione | 3CAV |
| 2B5 (Candida tenuis Xylose reductase) | 2.20 Å | Apo | 1JEZ |
| 2B5 | 2.10 Å | NADP | 1K8C |
| 2B5 | 1.80 Å | NAD | 1MI3 |
| 2B5 ---- H114A | 2.20 Å | NADP | 1R38 |
| 2B5 ---- K274R/N276D | 2.20 Å | NAD | 1SM9 |
| 2B5 ---- K274R | 2.40 Å | NAD | 1YE4 |
| 2B5 ---- K274R | 2.30 Å | NADP | 1YE6 |
| 2B5 ---- N309D | 2.40 Å | NAD | 1Z9A |
| 3A1 (Sac. Gcy1p) | 2.50 Å | NADP | in progress |
| 4A2 (Chalcone Reductase) | 1.70 Å | NADP | 1ZGD |
| 5C (Corynebacterium 2,5-diketo-D-gluconate reductase) | 1.90 Å | Apo | 1HW6 |
| 5C1 (Coryne. 2,5-DKG Reductase) | 2.10 Å | NADPH | 1A80 |
| 5C (Thermotoga mariti) | 2.40 Å | NADP | 1VP5 |
| 6A2 (Rat Shaker b-subunit) | 2.80 Å | NADP | 1QRQ |
| 6A2 | 2.90 Å | NADP, K | 2A79 |
| 6A5 (Human K channel b-subunit 2) | 1.90 Å | NADP, Cl | 1ZSX |
| 7A1 (rat aflatoxin aldehyde reductase) | 1.38 Å | NADP, citrate | 1GVE |
| 7A2 | 2.40 Å | NADPH, citrate | 2BP1 |
| 7A5 | 2.30 Å | NADP, tartate | 2C91 |
| 11A1 | 1.80 Å | Apo | 1PYF |
| 11A1 | 2.35 Å | NADP | 1PZ0 |
| 11B1 | 2.20 Å | NADP | 1PZ1 |
| 11C1 | 1.25 Å | Apo | 1YNP |
| 11C1 | 1.30 Å | NADP | 1YNQ |
| YDHF, from E coli | 2.80 Å | NADP | 1OG6 |
| YDHF, from E coli | 2.57 Å | Apo | 1UR3 |
| Tas Protein from E coli | 1.60 Å | NADP | 1LQA |
| Hypothetical 35.2 kDa Protein | 1.60 Å | 1QWK |
Visit the TIM-barrel database at Database of Tim Barrel Enzymes (DATE)
