UniProt P80457
Xanthine dehydrogenase/oxidase (P80457)
Xanthine dehydrogenase/oxidase (UniProt P80457), EC 1.1.1.204, 1.1.3.22: 49 experimental structures and 1 predicted model on GenesisL1, 29 ligands bound, 942 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P80457
- Protein
- Xanthine dehydrogenase/oxidase
- EC
- 1.1.1.204, 1.1.3.22, 1.17.1.4, 1.17.3.2
- Experimental structures
- 49
- Predicted models
- 1
- Ligands
- 29
- Pockets
- 942 · 48 records with a druggable one
Structures
50 records of P80457 in the MolNFT archive: 49 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1FIQ | Crystal structure of xanthine oxidase from bovine milk | x-ray diffraction | A, B, C | FES, FAD, MTE, MOS, SAL | 12 (best 0.87) |
| 1FIQ | Crystal structure of xanthine oxidase from bovine milk | x-ray diffraction | A, B, C | FES, FAD, MTE, MOS, SAL | 12 (best 0.87) |
| 1FO4 | Crystal structure of xanthine dehydrogenase isolated from bovine milk | x-ray diffraction | A, B | CA, FES, MTE, MOS, SAL, FAD | 20 (best 0.84) |
| 1FO4 | Crystal structure of xanthine dehydrogenase isolated from bovine milk | x-ray diffraction | A, B | CA, FES, MTE, MOS, SAL, FAD | 20 (best 0.84) |
| 1N5X | Xanthine Dehydrogenase from Bovine Milk with Inhibitor TEI-6720 Bound | x-ray diffraction | A, B | FES, MTE, MOS, FAD, TEI | 20 (best 0.84) |
| 1N5X | Xanthine dehydrogenase from bovine milk with inhibitor tei-6720 bound | x-ray diffraction | A, B | FES, MTE, MOS, FAD, TEI | 20 (best 0.84) |
| 1V97 | Crystal Structure of Bovine Milk Xanthine Dehydrogenase FYX-051 bound form | x-ray diffraction | A, B | CA, FES, MTE, MOS, FAD, FYX | 20 (best 0.85) |
| 1V97 | Crystal structure of bovine milk xanthine dehydrogenase fyx-051 bound form | x-ray diffraction | A, B | CA, FES, MTE, MOS, FAD, FYX | 20 (best 0.85) |
| 1VDV | Bovine Milk Xanthine Dehydrogenase Y-700 Bound Form | x-ray diffraction | A, B | CA, FES, MTE, MOS, FAD, YSH | 20 (best 0.84) |
| 1VDV | Bovine milk xanthine dehydrogenase Y-700 bound form | x-ray diffraction | A, B | CA, FES, MTE, MOS, FAD, YSH | 20 (best 0.84) |
| 3AM9 | Complex of bovine xanthine dehydrogenase and trihydroxy FYX-051 | x-ray diffraction | A, B | FES, CA, FAD, BCT, MTE, MOS | 20 (best 0.83) |
| 3AM9 | Complex of bovine xanthine dehydrogenase and trihydroxy fyx-051 | x-ray diffraction | A, B | FES, CA, FAD, BCT, MTE, MOS | 20 (best 0.83) |
| 3AMZ | Bovine Xanthine Oxidoreductase urate bound form | x-ray diffraction | A, B | FES, CA, FAD, NAI, BCT, MTE | 20 (best 0.85) |
| 3AMZ | Bovine xanthine oxidoreductase urate bound form | x-ray diffraction | A, B | FES, CA, FAD, NAI, BCT, MTE | 20 (best 0.85) |
| 3AX7 | Bovine Xanthine Oxidase, protease cleaved form | x-ray diffraction | A, B | FES, FAD, XAX, SAL, BCT, CA | 20 (best 0.87) |
| 3AX7 | Bovine xanthine oxidase, protease cleaved form | x-ray diffraction | A, B | FES, FAD, XAX, SAL, BCT, CA | 20 (best 0.87) |
| 3AX9 | Bovine xanthine oxidase, protease cleaved form | x-ray diffraction | A, B | FES, FAD, XAX, CA, BCT, SAL | 20 (best 0.88) |
| 3AX9 | Bovine xanthine oxidase, protease cleaved form | x-ray diffraction | A, B | FES, FAD, XAX, CA, BCT, SAL | 20 (best 0.88) |
| 3B9J | Structure of Xanthine Oxidase with 2-hydroxy-6-methylpurine | x-ray diffraction | A, B, C, I, J, K | FES, FAD, CA, MTE, MOS, 290 | 20 (best 0.87) |
| 3B9J | Structure of xanthine oxidase with 2-hydroxy-6-methylpurine | x-ray diffraction | A, B, C, I, J, K | FES, FAD, CA, MTE, MOS, 290 | 20 (best 0.87) |
| 3BDJ | Crystal Structure of Bovine Milk Xanthine Dehydrogenase with a Covalently Bound Oxipurinol Inhibitor | x-ray diffraction | A, B | CA, FES, MTE, MOW, FAD, 141 | 20 (best 0.84) |
| 3BDJ | Crystal structure of bovine milk xanthine dehydrogenase with a covalently bound oxipurinol inhibitor | x-ray diffraction | A, B | CA, FES, MTE, MOW, FAD, 141 | 20 (best 0.84) |
| 3ETR | Crystal structure of xanthine oxidase in complex with lumazine | x-ray diffraction | A, B, C, L, M, N | FES, FAD, MTE, MOS, LUZ, CA | 20 (best 0.87) |
| 3ETR | Crystal structure of xanthine oxidase in complex with lumazine | x-ray diffraction | A, B, C, L, M, N | FES, FAD, MTE, MOS, LUZ, CA | 20 (best 0.87) |
| 3EUB | Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine | x-ray diffraction | A, B, C, J, K, L, S, T, U, 2, 3, 4 | FES, FAD, MTE, MOM, XAN | 20 (best 0.87) |
| 3EUB | Crystal structure of desulfo-xanthine oxidase with xanthine | x-ray diffraction | A, B, C, J, K, L, S, T, U, 2, 3, 4 | FES, MTE, MOM, FAD, XAN | 20 (best 0.87) |
| 3NRZ | Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, MOS, HPA | 20 (best 0.87) |
| 3NRZ | Crystal structure of bovine xanthine oxidase in complex with hypoxanthine | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, MOS, HPA | 20 (best 0.87) |
| 3NS1 | Crystal Structure of Bovine Xanthine Oxidase in Complex with 6-Mercaptopurine | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, MOS, PM6 | 20 (best 0.87) |
| 3NS1 | Crystal structure of bovine xanthine oxidase in complex with 6- mercaptopurine | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, MOS, PM6 | 20 (best 0.87) |
| 3NVV | Crystal Structure of Bovine Xanthine Oxidase in Complex with Arsenite | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, MOS, AST | 20 (best 0.86) |
| 3NVV | Crystal structure of bovine xanthine oxidase in complex with arsenite | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, MOS, AST | 20 (best 0.86) |
| 3NVW | Crystal Structure of Bovine Xanthine Oxidase in Complex with Guanine | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, MOS, GUN | 20 (best 0.87) |
| 3NVW | Crystal structure of bovine xanthine oxidase in complex with guanine | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, MOS, GUN | 20 (best 0.87) |
| 3NVY | Crystal Structure of Bovine Xanthine Oxidase in Complex with Quercetin | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, MOS, QUE | 20 (best 0.87) |
| 3NVY | Crystal structure of bovine xanthine oxidase in complex with quercetin | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, MOS, QUE | 20 (best 0.87) |
| 3NVZ | Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3-Aldehyde | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, MOS, I3A | 20 (best 0.87) |
| 3NVZ | Crystal structure of bovine xanthine oxidase in complex with indole-3- aldehyde | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, MOS, I3A | 20 (best 0.87) |
| 3SR6 | Crystal Structure of Reduced Bovine Xanthine Oxidase in Complex with Arsenite | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, RMO | 20 (best 0.86) |
| 3SR6 | Crystal structure of reduced bovine xanthine oxidase in complex with arsenite | x-ray diffraction | A, B, C, J, K, L | FES, FAD, MTE, RMO | 20 (best 0.86) |
| 3UNA | Crystal Structure of Bovine Milk Xanthine Dehydrogenase with NAD Bound | x-ray diffraction | A, B | FES, MTE, MOS, FAD, NAD, CO3 | 20 (best 0.83) |
| 3UNA | Crystal structure of bovine milk xanthine dehydrogenase with NAD bound | x-ray diffraction | A, B | FES, MTE, MOS, FAD, NAD, CO3 | 20 (best 0.83) |
| 3UNC | Crystal Structure of Bovine Milk Xanthine Dehydrogenase to 1.65A Resolution | x-ray diffraction | A, B | FES, MTE, MOS, FAD, SAL, CO3 | 20 (best 0.85) |
| 3UNC | Crystal structure of bovine milk xanthine dehydrogenase to 1.65A resolution | x-ray diffraction | A, B | FES, MTE, MOS, FAD, SAL, CO3 | 20 (best 0.85) |
| 3UNI | Crystal Structure of Bovine Milk Xanthine Dehydrogenase with NADH Bound | x-ray diffraction | A, B | FES, MTE, MOS, FAD, NAI, CO3 | 20 (best 0.84) |
| 3UNI | Crystal structure of bovine milk xanthine dehydrogenase with NADH bound | x-ray diffraction | A, B | FES, MTE, MOS, FAD, NAI, CO3 | 20 (best 0.84) |
| 7D6O | Oxidized structure of bovine xanthine oxidoreductase bound with oxypurinol. | x-ray diffraction | A, B | FES, MTE, MOS, FAD, CO3, CA | — |
| 7DNV | Oxidized structure of bovine xanthine oxidoreductase bound with oxypurinol. | x-ray diffraction | A, B | FES, MTE, MOS, FAD, CO3, CA | — |
| 8J79 | Bovine Xanthine Oxidoreductase Crystallized with oxypurinol | x-ray diffraction | A, B | FES, MTE, MOS, FAD, CO3, CA | 20 (best 0.83) |
| P80457 | AlphaFold monomer V2.0 prediction for xanthine DEHYDROGENASE/OXIDASE (P80457) | predicted | A | — | 18 (best 0.83) |
Ligands
- FAD · Flavin-adenine dinucleotide · in 49 records
- FES · Fe2/s2 (inorganic) cluster · in 49 records
- MTE · Phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8A,9,10,10A-hexahydro-4H-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester · in 45 records
- MOS · Dioxothiomolybdenum(vi) ion · in 39 records
- CA · Calcium ion · in 29 records
- SAL · 2-hydroxybenzoic acid · in 14 records
- CO3 · Carbonate ion · in 11 records
- BCT · Bicarbonate ion · in 8 records
- 141 · Oxypurinol · in 5 records
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · in 4 records
- XAX · {[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum · in 4 records
- 290 · 6-methyl-3,9-dihydro-2H-purin-2-one · in 2 records
- AST · Arsenite · in 2 records
- FYO · 4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile · in 2 records
- FYX · 4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile · in 2 records
- GUN · Guanine · in 2 records
- HPA · Hypoxanthine · in 2 records
- I3A · 1H-indole-3-carbaldehyde · in 2 records
- LUZ · pteridine-2,4(1H,3H)-dione · in 2 records
- MOM · Hydroxy(dioxo)molybdenum · in 2 records
- MOW · Oxo(sulfanyl)molybdenum(IV) ION · in 2 records
- NAD · Nicotinamide-adenine-dinucleotide · in 2 records
- PM6 · 9H-purine-6-thiol · in 2 records
- QUE · 3,5,7,3',4'-pentahydroxyflavone · in 2 records
- RMO · [arsenothionito(2-)-kappa~2~O,S](oxo)molybdenum · in 2 records
- TEI · 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-5-thiazole-carboxylic acid · in 2 records
- URC · Uric acid · in 2 records
- XAN · Xanthine · in 2 records
- YSH · 1-[3-cyano-4-(neopentyloxy)phenyl]-1H-pyrazole-4-carboxylic acid · in 2 records
Experiment against prediction
- 3B9J chain A against the predicted model P80457: TM-score 1.00, RMSD 0.30 Å
- 3B9J chain A against the predicted model P80457: TM-score 1.00, RMSD 0.30 Å
- 3ETR chain N against the predicted model P80457: TM-score 1.00, RMSD 0.75 Å
- 3ETR chain N against the predicted model P80457: TM-score 1.00, RMSD 0.75 Å
- 3NRZ chain L against the predicted model P80457: TM-score 1.00, RMSD 0.77 Å
- 3EUB chain L against the predicted model P80457: TM-score 1.00, RMSD 0.78 Å
- 1FIQ chain C against the predicted model P80457: TM-score 1.00, RMSD 0.76 Å
- 1FIQ chain C against the predicted model P80457: TM-score 1.00, RMSD 0.76 Å
- 3NVV chain L against the predicted model P80457: TM-score 1.00, RMSD 0.76 Å
- 3NVW chain L against the predicted model P80457: TM-score 1.00, RMSD 0.77 Å
Elsewhere
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