UniProt P05093
Steroid 17-alpha-hydroxylase/17,20 lyase (P05093)
Steroid 17-alpha-hydroxylase/17,20 lyase (UniProt P05093), EC 1.14.14.19, 1.14.14.32: 30 experimental structures and 1 predicted model on GenesisL1, 12 ligands bound, 73 pockets. Binding sites, druggability and experiment against…
- UniProt
- P05093
- Protein
- Steroid 17-alpha-hydroxylase/17,20 lyase
- EC
- 1.14.14.19, 1.14.14.32, 4.1.2.30
- Experimental structures
- 30
- Predicted models
- 1
- Ligands
- 12
- Pockets
- 73 · 4 records with a druggable one
Structures
31 records of P05093 in the MolNFT archive: 30 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3RUK | Human Cytochrome P450 CYP17A1 in complex with Abiraterone | x-ray diffraction | A, B, C, D | — | — |
| 3RUK | Human cytochrome P450 CYP17A1 in complex with abiraterone | x-ray diffraction | A, B, C, D | — | — |
| 3SWZ | Human Cytochrome P450 17A1 in complex with TOK-001 | x-ray diffraction | A, B, C, D | — | — |
| 3SWZ | Human cytochrome P450 17A1 in complex with tok-001 | x-ray diffraction | A, B, C, D | — | — |
| 4NKV | Human steroidogenic cytochrome P450 17A1 mutant A105L with inhibitor abiraterone | x-ray diffraction | A, B, C, D | — | — |
| 4NKV | Human steroidogenic cytochrome P450 17A1 mutant A105L with inhibitor abiraterone | x-ray diffraction | A, B, C, D | — | — |
| 4NKW | Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate pregnenolone | x-ray diffraction | A, B, C, D | — | — |
| 4NKW | Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate pregnenolone | x-ray diffraction | A, B, C, D | — | — |
| 4NKX | Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate progesterone | x-ray diffraction | A, B, C, D | — | — |
| 4NKX | Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate progesterone | x-ray diffraction | A, B, C, D | — | — |
| 4NKY | Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxyprogesterone | x-ray diffraction | A, B, C, D | — | — |
| 4NKY | Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17ALPHA-hydroxyprogesterone | x-ray diffraction | A, B, C, D | — | — |
| 4NKZ | Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxypregnenolone | x-ray diffraction | A, B, C, D | — | — |
| 4NKZ | Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17ALPHA-hydroxypregnenolone | x-ray diffraction | A, B, C, D | — | — |
| 5IRQ | Human cytochrome P450 17A1 bound to inhibitors (R)- and (S)- orteronel | x-ray diffraction | A, B, C, D | HEM, 6D7, 7D6 | 20 (best 0.87) |
| 5IRQ | Human cytochrome P450 17A1 bound to inhibitors (R)- and (S)- orteronel | x-ray diffraction | A, B, C, D | — | — |
| 5IRV | Human cytochrome P450 17A1 bound to inhibitor VT-464 | x-ray diffraction | A, B, C, D | HEM, 6D8 | — |
| 5IRV | Human cytochrome P450 17A1 bound to inhibitor vt-464 | x-ray diffraction | A, B, C, D | — | — |
| 5UYS | Human steroidogenic cytochrome P450 17A1 with 3alphaOH-5alpha-abiraterone analog | x-ray diffraction | A, B, C, D | HEM, 8QD | — |
| 5UYS | Human steroidogenic cytochrome P450 17A1 with 3ALPHAOH-5ALPHA- abiraterone analog | x-ray diffraction | A, B, C, D | HEM, 8QD | — |
| 6CHI | Human cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 amide | x-ray diffraction | A, B, C, D | HEM, 3NX | — |
| 6CIR | Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 oxime | x-ray diffraction | A, B, C, D | HEM, 3NQ | — |
| 6CIR | Human cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 oxime | x-ray diffraction | A, B, C, D | HEM, 3NQ | — |
| 6CIZ | Human cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 nitrile | x-ray diffraction | A, B, C, D | HEM, 3NR | — |
| 6WR0 | Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog | x-ray diffraction | A, B, C, D | HEM, U7P, CL | 20 (best 0.87) |
| 6WR0 | Human steroidogenic cytochrome P450 17A1 with 3-keto-DELTA4- abiraterone analog | x-ray diffraction | A, B, C, D | HEM, U7P, CL | — |
| 6WR1 | Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone | x-ray diffraction | A, B | HEM, AER | 13 (best 0.87) |
| 6WR1 | Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone | x-ray diffraction | A, B | HEM, AER | — |
| 6WW0 | Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog | x-ray diffraction | A, B, C, D | HEM, UDJ, CL | 20 (best 0.88) |
| 6WW0 | Human steroidogenic cytochrome P450 17A1 with 3-keto-5ALPHA- abiraterone analog | x-ray diffraction | A, B, C, D | HEM, UDJ, CL | — |
| P05093 | AlphaFold monomer V2.0 prediction for steroid 17-alpha- HYDROXYLASE/17,20 lyase (P05093) | predicted | A | — | — |
Ligands
- HEM · Protoporphyrin IX containing Fe · in 14 records
- CL · Chloride ion · in 4 records
- 3NQ · 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol · in 2 records
- 8QD · (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol · in 2 records
- AER · Abiraterone · in 2 records
- U7P · (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one · in 2 records
- UDJ · (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one · in 2 records
- 3NR · 6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol · in 1 record
- 3NX · 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide · in 1 record
- 6D7 · (R)-orteronel · in 1 record
- 6D8 · Vt-464 · in 1 record
- 7D6 · (S)-orteronel · in 1 record
Experiment against prediction
- 4NKW chain A against the predicted model P05093: TM-score 0.96, RMSD 1.97 Å
- 4NKW chain A against the predicted model P05093: TM-score 0.96, RMSD 1.97 Å
- 4NKW chain B against the predicted model P05093: TM-score 0.96, RMSD 1.97 Å
- 4NKW chain B against the predicted model P05093: TM-score 0.96, RMSD 1.97 Å
- 6WW0 chain A against the predicted model P05093: TM-score 0.96, RMSD 1.98 Å
- 6WW0 chain A against the predicted model P05093: TM-score 0.96, RMSD 1.98 Å
- 6WR0 chain B against the predicted model P05093: TM-score 0.96, RMSD 2.00 Å
- 6WR0 chain B against the predicted model P05093: TM-score 0.96, RMSD 2.00 Å
- 4NKW chain C against the predicted model P05093: TM-score 0.96, RMSD 1.98 Å
- 4NKW chain C against the predicted model P05093: TM-score 0.96, RMSD 1.98 Å
Elsewhere
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