UniProt P13053
Vitamin D3 receptor (P13053)
Vitamin D3 receptor (UniProt P13053): 130 experimental structures and 1 predicted model on GenesisL1, 21 ligands bound, 20 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P13053
- Protein
- Vitamin D3 receptor
- Experimental structures
- 130
- Predicted models
- 1
- Ligands
- 21
- Pockets
- 20 · 6 records with a druggable one
Structures
131 records of P13053 in the MolNFT archive: 130 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1RJK | crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2MD and a… | x-ray diffraction | A | — | — |
| 1RJK | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2MD and a… | x-ray diffraction | A | — | — |
| 1RK3 | crystal structure of the rat vitamin D receptor ligand binding domain complexed with… | x-ray diffraction | A | — | — |
| 1RK3 | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with… | x-ray diffraction | A | — | — |
| 1RKG | crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2MbisP and a… | x-ray diffraction | A | — | — |
| 1RKG | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2MBISP and a… | x-ray diffraction | A | — | — |
| 1RKH | crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2AM20R and a… | x-ray diffraction | A | — | — |
| 1RKH | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2AM20R and a… | x-ray diffraction | A | — | — |
| 2O4J | Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20Z and… | x-ray diffraction | A | — | — |
| 2O4J | Crystal structure of rat vitamin D receptor ligand binding domain complexed with vitiii 17-20Z and… | x-ray diffraction | A | — | — |
| 2O4R | Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20E and… | x-ray diffraction | A | — | — |
| 2O4R | Crystal structure of rat vitamin D receptor ligand binding domain complexed with vitiii 17-20E and… | x-ray diffraction | A | — | — |
| 2ZFX | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR301 and a… | x-ray diffraction | A | — | — |
| 2ZFX | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR301 and a… | x-ray diffraction | A | — | — |
| 2ZL9 | 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs… | x-ray diffraction | A | — | — |
| 2ZL9 | 2-substituted-16-ene-22-thia-1ALPHA,25-dihydroxy-26,27- dimethyl-19-norvitamin D3 analogs… | x-ray diffraction | A | — | — |
| 2ZLA | 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs… | x-ray diffraction | A | — | — |
| 2ZLA | 2-substituted-16-ene-22-thia-1ALPHA,25-dihydroxy-26,27- dimethyl-19-norvitamin D3 analogs… | x-ray diffraction | A | — | — |
| 2ZLC | 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs… | x-ray diffraction | A | — | — |
| 2ZLC | 2-substituted-16-ene-22-thia-1ALPHA,25-dihydroxy-26,27- dimethyl-19-norvitamin D3 analogs… | x-ray diffraction | A | — | — |
| 2ZMH | Crystal Structure of Rat Vitamin D Receptor Bound to Adamantyl Vitamin D Analogs: Structural Basis… | x-ray diffraction | A | — | — |
| 2ZMH | Crystal structure of rat vitamin D receptor bound to adamantyl vitamin D analogs: structural basis… | x-ray diffraction | A | — | — |
| 2ZMI | Crystal Structure of Rat Vitamin D Receptor Bound to Adamantyl Vitamin D Analogs: Structural Basis… | x-ray diffraction | A | — | — |
| 2ZMI | Crystal structure of rat vitamin D receptor bound to adamantyl vitamin D analogs: structural basis… | x-ray diffraction | A | — | — |
| 2ZMJ | Crystal Structure of Rat Vitamin D Receptor Bound to Adamantyl Vitamin D Analogs: Structural Basis… | x-ray diffraction | A | — | — |
| 2ZMJ | Crystal structure of rat vitamin D receptor bound to adamantyl vitamin D analogs: structural basis… | x-ray diffraction | A | — | — |
| 2ZXM | A New Class of Vitamin D Receptor Ligands that Induce Structural Rearrangement of the… | x-ray diffraction | A | — | — |
| 2ZXM | A new class of vitamin D receptor ligands that induce structural rearrangement of the… | x-ray diffraction | A | — | — |
| 2ZXN | A New Class of Vitamin D Receptor Ligands that Induce Structural Rearrangement of the… | x-ray diffraction | A | — | — |
| 2ZXN | A new class of vitamin D receptor ligands that induce structural rearrangement of the… | x-ray diffraction | A | — | — |
| 3A2H | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with TEI-9647 and a… | x-ray diffraction | A | — | — |
| 3A2H | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with tei-9647 and a… | x-ray diffraction | A | — | — |
| 3AFR | Crystal Structure of VDR-LBD/22S-Butyl-1a,24R-dihydroxyvitamin D3 complex | x-ray diffraction | A | — | — |
| 3AFR | Crystal structure of vdr-LBD/22S-butyl-1A,24R-dihydroxyvitamin D3 complex | x-ray diffraction | A | — | — |
| 3AUN | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR335 and a… | x-ray diffraction | A | — | — |
| 3AUN | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR335 and a… | x-ray diffraction | A | — | — |
| 3VJS | Vitamin D receptor complex with a carborane compound | x-ray diffraction | A | — | — |
| 3VJS | Vitamin D receptor complex with a carborane compound | x-ray diffraction | A | — | — |
| 3VJT | Vitamin D receptor complex with a carborane compound | x-ray diffraction | A | — | — |
| 3VJT | Vitamin D receptor complex with a carborane compound | x-ray diffraction | A | — | — |
| 3VRT | VDR ligand binding domain in complex with 2-Mehylidene-19,25,26,27-tetranor-1alpha,24-dihydroxyvitam… | x-ray diffraction | A | — | — |
| 3VRT | Vdr ligand binding domain in complex with 2-mehylidene-19,25,26,27… | x-ray diffraction | A | — | — |
| 3VRU | VDR ligand binding domain in complex with 2-Methylidene-19,24-dinor-1alpha,25-dihydroxy vitaminD3 | x-ray diffraction | A | — | — |
| 3VRU | Vdr ligand binding domain in complex with 2-methylidene-19,24-dinor- 1ALPHA,25-dihydroxy VITAMIND3 | x-ray diffraction | A | — | — |
| 3VRV | VDR ligand binding domain in complex with 2-Methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydro… | x-ray diffraction | A | — | — |
| 3VRV | Vdr ligand binding domain in complex with 2-methylidene-26,27… | x-ray diffraction | A | — | — |
| 3VRW | VDR ligand binding domain in complex with 22S-Butyl-2-methylidene-26,27-dimethyl-19,24-dinor-1alpha… | x-ray diffraction | A | — | — |
| 3VRW | Vdr ligand binding domain in complex with 22S-butyl-2-methylidene-26… | x-ray diffraction | A | — | — |
| 3VT3 | Crystal structures of rat VDR-LBD with R270L mutation | x-ray diffraction | A | — | — |
| 3VT3 | Crystal structures of rat vdr-lbd with R270L mutation | x-ray diffraction | A | — | — |
| 3VT4 | Crystal structures of rat VDR-LBD with R270L mutation | x-ray diffraction | A | — | — |
| 3VT4 | Crystal structures of rat vdr-lbd with R270L mutation | x-ray diffraction | A | — | — |
| 3VT5 | Crystal structures of rat VDR-LBD with R270L mutation | x-ray diffraction | A | — | — |
| 3VT5 | Crystal structures of rat vdr-lbd with R270L mutation | x-ray diffraction | A | — | — |
| 3VT6 | Crystal structure of rat VDR-LBD with 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethy… | x-ray diffraction | A | — | — |
| 3VT6 | Crystal structure of rat vdr-lbd with 2-substituted-16-ene-22-thia… | x-ray diffraction | A | — | — |
| 3VT7 | Crystal structures of rat VDR-LBD with W282R mutation | x-ray diffraction | A | — | — |
| 3VT7 | Crystal structures of rat vdr-lbd with W282R mutation | x-ray diffraction | A | — | — |
| 3VT8 | Crystal structures of rat VDR-LBD with W282R mutation | x-ray diffraction | A | — | — |
| 3VT8 | Crystal structures of rat vdr-lbd with W282R mutation | x-ray diffraction | A | — | — |
71 records more on the page itself.
Ligands
- 9KX · (2S)-2-[(1r,3as,4e,7ar)-7A-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl) cyclohexylidene]ethylidene]-2,3,3A,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one · in 3 records
- 8BO · (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{A}~{S}, 7~{A}~{R})-1-[(2~{R},6~{S})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{A}-methyl-2,3,3~{A},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol · in 2 records
- 8FF · (4~{S})-4-[(1~{R})-1-[(1~{R},3~{A}~{S},4~{E}, 7~{A}~{R})-7~{A}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl) cyclohexylidene]ethylidene]-2,3,3~{A},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(1~{H}-pyrrol-2-yl)octan-1-one · in 2 records
- 8J3 · (1R,3S,5Z)-5-[(2E)-2-[(1r,3as,7ar)-1-[(2R,6R)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7A-methyl-2,3,3A, 5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol · in 2 records
- 9RO · (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{A}~{S}, 7~{A}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{A}-methyl-2,3,3~{A},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol · in 2 records
- EJO · 7-(diethylamino)chromen-2-one · in 2 records
- FKF · (4R)-4-[(3S,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
- YSV · (1R,3R)-5-(2-((1r,3as,7ar,e)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7A-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2-methylenecyclohexane-1,3-diol · in 2 records
- 8BF · (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{A}~{S}, 7~{A}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{A}-methyl-2,3,3~{A},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol · in 1 record
- 8BL · (5~{R})-5-[(1~{R},3~{A}~{S},4~{E},7~{A}~{R})-7~{A}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{A},5, 6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl) hexan-1-one · in 1 record
- 8C0 · (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{A}~{S}, 7~{A}~{R})-1-[(2~{R},3~{S})-3-[(3~{S})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{A}-methyl-2,3,3~{A},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol · in 1 record
- 8C9 · (4~{S})-4-[(1~{R})-1-[(1~{R},3~{A}~{S},4~{E}, 7~{A}~{R})-7~{A}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl) cyclohexylidene]ethylidene]-2,3,3~{A},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one · in 1 record
- 8J0 · (1R,3S,5Z)-5-[(2E)-2-[(1r,3as,7ar)-1-[(2R,6S)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7A-methyl-2,3,3A, 5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol · in 1 record
- 9K0 · (6R)-6-[(1r,3as,4e,7ar)-7A-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl) cyclohexylidene]ethylidene]-2,3,3A,5,6,7-hexahydro-1H-inden-1-yl]hept-1-en-3-one · in 1 record
- 9KR · (E,7R)-7-[(1r,3as,4e,7ar)-7A-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl) cyclohexylidene]ethylidene]-2,3,3A,5,6,7-hexahydro-1H-inden-1-yl]oct-2-en-4-one · in 1 record
- 9N9 · (E,2S)-2-[(1r,3as,4e,7ar)-7A-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl) cyclohexylidene]ethylidene]-2,3,3A,5,6,7-hexahydro-1H-inden-1-yl]oct-6-en-4-yn-3-one · in 1 record
- AKX · (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol · in 1 record
- D0O · (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R}, 14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3, 4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid · in 1 record
- DLC · (3~{R},5~{S})-5-[(2~{R})-2-[(1~{R},3~{a}~{S},4~{Z},7~{a}~{R})-7~{a}-methyl-4-[(2~{E})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(2-phenylethyl)pyrrolidin-2-one · in 1 record
- 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 1 record
- VDP · (3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(3S,5R)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(4-phenylbutyl)pyrrolidin-2-one · in 1 record
Experiment against prediction
- 3VRV chain A against the predicted model P13053: TM-score 0.98, RMSD 0.78 Å
- 3VRV chain A against the predicted model P13053: TM-score 0.98, RMSD 0.78 Å
- 1RKG chain A against the predicted model P13053: TM-score 0.98, RMSD 0.83 Å
- 1RKG chain A against the predicted model P13053: TM-score 0.98, RMSD 0.83 Å
- 2ZL9 chain A against the predicted model P13053: TM-score 0.98, RMSD 0.82 Å
- 2ZL9 chain A against the predicted model P13053: TM-score 0.98, RMSD 0.82 Å
- 3VRW chain A against the predicted model P13053: TM-score 0.98, RMSD 0.82 Å
- 3VRW chain A against the predicted model P13053: TM-score 0.98, RMSD 0.82 Å
- 3VT7 chain A against the predicted model P13053: TM-score 0.98, RMSD 0.84 Å
- 3VT7 chain A against the predicted model P13053: TM-score 0.98, RMSD 0.84 Å
Elsewhere
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