UniProt Q9PTN2
Vitamin D3 receptor A (Q9PTN2)
Vitamin D3 receptor A (UniProt Q9PTN2): 97 experimental structures and 1 predicted model on GenesisL1, 41 ligands bound, 73 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q9PTN2
- Protein
- Vitamin D3 receptor A
- Experimental structures
- 97
- Predicted models
- 1
- Ligands
- 41
- Pockets
- 73 · 26 records with a druggable one
Structures
98 records of Q9PTN2 in the MolNFT archive: 97 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2HBH | Crystal structure of Vitamin D nuclear receptor ligand binding domain bound to a locked side-chain… | x-ray diffraction | A | — | — |
| 2HBH | Crystal structure of vitamin D nuclear receptor ligand binding domain bound to a locked side-chain… | x-ray diffraction | A | — | — |
| 2HC4 | Crystal structure of the LBD of VDR of Danio rerio in complex with calcitriol | x-ray diffraction | A | — | — |
| 2HC4 | Crystal structure of the lbd of vdr of danio rerio in complex with calcitriol | x-ray diffraction | A | — | — |
| 2HCD | Crystal structure of the ligand binding domain of the Vitamin D nuclear receptor in complex with… | x-ray diffraction | A | — | — |
| 2HCD | Crystal structure of the ligand binding domain of the vitamin D nuclear receptor in complex with… | x-ray diffraction | A | — | — |
| 3DR1 | Side-chain fluorine atoms of non-steroidal vitamin D3 analogs stabilize helix 12 of vitamin D… | x-ray diffraction | A | — | — |
| 3DR1 | Side-chain fluorine atoms of non-steroidal vitamin D3 analogs stabilize helix 12 of vitamin D… | x-ray diffraction | A | — | — |
| 3O1D | Structure-function study of Gemini derivatives with two different side chains at C-20, Gemini-0072… | x-ray diffraction | A | — | — |
| 3O1D | Structure-function study of gemini derivatives with two different side chains at C-20, gemini-0072… | x-ray diffraction | A | — | — |
| 3O1E | Structure-function of Gemini derivatives with two different side chains at C-20, Gemini-0072 and… | x-ray diffraction | A | — | — |
| 3O1E | Structure-function of gemini derivatives with two different side chains at C-20, gemini-0072 and… | x-ray diffraction | A | — | — |
| 4FHH | Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D… | x-ray diffraction | A | — | — |
| 4FHH | Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D… | x-ray diffraction | A | — | — |
| 4G1D | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear… | x-ray diffraction | A | — | — |
| 4G1D | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin D nuclear… | x-ray diffraction | A | — | — |
| 4G1Y | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear… | x-ray diffraction | A | — | — |
| 4G1Y | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin D nuclear… | x-ray diffraction | A | — | — |
| 4G1Z | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear… | x-ray diffraction | A | — | — |
| 4G1Z | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin D nuclear… | x-ray diffraction | A | — | — |
| 4G20 | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear… | x-ray diffraction | A | — | — |
| 4G20 | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin D nuclear… | x-ray diffraction | A | — | — |
| 4G21 | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear… | x-ray diffraction | A | — | — |
| 4G21 | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin D nuclear… | x-ray diffraction | A | — | — |
| 4G2H | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear… | x-ray diffraction | A | — | — |
| 4G2H | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin D nuclear… | x-ray diffraction | A | — | — |
| 4IA1 | Diastereotopic and Deuterium Effects in Gemini | x-ray diffraction | A | — | — |
| 4IA1 | Diastereotopic and deuterium effects in gemini | x-ray diffraction | A | — | — |
| 4IA2 | Diastereotopic and Deuterium Effects in Gemini | x-ray diffraction | A | — | — |
| 4IA2 | Diastereotopic and deuterium effects in gemini | x-ray diffraction | A | — | — |
| 4IA3 | Diastereotopic and Deuterium Effects in Gemini | x-ray diffraction | A | — | — |
| 4IA3 | Diastereotopic and deuterium effects in gemini | x-ray diffraction | A | — | — |
| 4IA7 | Diastereotopic and Deuterium Effects in Gemini | x-ray diffraction | A | — | — |
| 4IA7 | Diastereotopic and deuterium effects in gemini | x-ray diffraction | A | — | — |
| 4Q0A | Vitamin D Receptor complex with lithocholic acid | x-ray diffraction | C | — | — |
| 4Q0A | Vitamin D receptor complex with lithocholic acid | x-ray diffraction | C | — | — |
| 4RUJ | Crystal structure of zVDR L337H mutant-VD complex | x-ray diffraction | A | — | — |
| 4RUJ | Crystal structure of zvdr L337H mutant-vd complex | x-ray diffraction | A | — | — |
| 4RUO | Crystal structure of zVDR L337H mutant-gemini complex | x-ray diffraction | X | — | — |
| 4RUO | Crystal structure of zvdr L337H mutant-gemini complex | x-ray diffraction | X | — | — |
| 4RUP | Crystal structure of zVDR L337H mutant-Gemini72 complex | x-ray diffraction | A | — | — |
| 4RUP | Crystal structure of zvdr L337H mutant-GEMINI72 complex | x-ray diffraction | A | — | — |
| 5E7V | Potent Vitamin D Receptor Agonist | x-ray diffraction | A | M7E | — |
| 5E7V | Potent vitamin D receptor agonist | x-ray diffraction | A | — | — |
| 5LGA | Structural analysis and biological activities of BXL0124, a Gemini analog of Vitamin D | x-ray diffraction | A | 6VH | 2 (best 0.86) |
| 5LGA | Structural analysis and biological activities of BXL0124, a gemini analog of vitamin D | x-ray diffraction | A | 6VH | — |
| 5MX7 | 1a,20S-dihydroxyvitamin D3 VDR complex | x-ray diffraction | A1 | D3V | — |
| 5NKY | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | x-ray diffraction | A | 91W | — |
| 5NKY | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | x-ray diffraction | A | 91W | — |
| 5NMA | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | x-ray diffraction | A | 9CW | 3 (best 0.86) |
| 5NMA | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | x-ray diffraction | A | 9CW | — |
| 5NMB | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | x-ray diffraction | A2 | 9CZ | — |
| 5OW7 | VDR complex | x-ray diffraction | A | AYK | 3 (best 0.87) |
| 5OW7 | VDR COMPLEX | x-ray diffraction | A | AYK | — |
| 5OW9 | Vitamin D receptor complex | x-ray diffraction | A | AYT | 3 (best 0.86) |
| 5OW9 | Vitamin D receptor complex | x-ray diffraction | A | AYT | — |
| 5OWD | Vitamin D receptor complex | x-ray diffraction | A | B0B | — |
| 6FO7 | Vitamin D nuclear receptor complex 3 | x-ray diffraction | A | LX3 | 2 (best 0.86) |
| 6FO7 | Vitamin D nuclear receptor complex 3 | x-ray diffraction | A | LX3 | — |
| 6FO8 | Vitamin D nuclear receptor complex 4 | x-ray diffraction | 1 | DZT | — |
38 records more on the page itself.
Ligands
- VDX · 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7A-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol · in 6 records
- URL · [(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid · in 5 records
- 2QI · calcitroic acid · in 2 records
- 2UI · (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8, 9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol · in 2 records
- 2WV · (3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8, 9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol · in 2 records
- 6VH · (1~{R},3~{S},5~{Z})-5-[2-[(1~{R},3~{A}~{S},7~{A}~{R})-7~{A}-methyl-1-[(6~{R})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3, 8-diyn-6-yl]-2,3,3~{A},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol · in 2 records
- 91W · (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{A}~{S}, 7~{A}~{R})-7~{A}-methyl-1-[(1~{S})-1-[(2~{R},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{A},5, 6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol · in 2 records
- 9CW · (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{A}~{S}, 7~{A}~{R})-7~{A}-methyl-1-[(1~{S})-1-[(2~{S},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{A},5, 6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol · in 2 records
- AYK · (3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide · in 2 records
- AYT · (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{A}~{S}, 7~{A}~{S})-7~{A}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{A},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol · in 2 records
- DZW · (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol · in 2 records
- E05 · (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol · in 2 records
- FKC · (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14, 15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid · in 2 records
- LX3 · (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol · in 2 records
- MFH · [(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid · in 2 records
- T0H · (1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol · in 2 records
- U5W · 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3 · in 2 records
- UIA · [(2~{R})-1-azanylpropan-2-yl]carbamic acid · in 2 records
- UIL · [(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid · in 2 records
- URV · [(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid · in 2 records
- UZN · [(2~{S})-2-azanylhexyl]carbamic acid · in 2 records
- 9CZ · (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{R})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol · in 1 record
- A1H72 · 1,4b,25-trihydroxyvitamin D3 · in 1 record
- A1IBM · (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-5-methyl-1-[(1~{R},2~{R})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol · in 1 record
- A1IQM · (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-5-trimethylsilylpentan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol · in 1 record
- A1IQO · (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-(4-trimethylsilylbuta-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol · in 1 record
- B0B · (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{A}~{S}, 7~{A}~{S})-7~{A}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{A},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol · in 1 record
- D3V · 1a,20S-dihydroxyvitamin D3 · in 1 record
- DZT · (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol · in 1 record
- E0E · (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol · in 1 record
Experiment against prediction
- 6FO8 chain 1 against the predicted model Q9PTN2: TM-score 0.98, RMSD 0.89 Å
- 6XZK chain A against the predicted model Q9PTN2: TM-score 0.98, RMSD 0.95 Å
- 6XZV chain A against the predicted model Q9PTN2: TM-score 0.98, RMSD 1.02 Å
- 7OXZ chain A against the predicted model Q9PTN2: TM-score 0.98, RMSD 0.95 Å
- 7OXZ chain A against the predicted model Q9PTN2: TM-score 0.98, RMSD 0.95 Å
- 8CKC chain A against the predicted model Q9PTN2: TM-score 0.98, RMSD 1.05 Å
- 6XZI chain A against the predicted model Q9PTN2: TM-score 0.98, RMSD 1.03 Å
- 6FO7 chain A against the predicted model Q9PTN2: TM-score 0.98, RMSD 1.06 Å
- 6FO7 chain A against the predicted model Q9PTN2: TM-score 0.98, RMSD 1.06 Å
- 7BNU chain A2 against the predicted model Q9PTN2: TM-score 0.98, RMSD 1.05 Å
Elsewhere
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