Research workbench
Crystal structure of androgen receptor DNA-binding domain bound to a direct repeat response element
Analyse Crystal structure of androgen receptor DNA-binding domain bound to a direct… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1R4I
- Type
- protein + DNA
- Length
- 181 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*TP*CP*AP*AP*GP*AP*AP*CP*AP*G) -3'…
- UniProt
- P15207
- Ligands
- ZN
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | 5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*TP*CP*AP*AP*GP*AP*AP*CP*AP*G) -3' | dna | 18 | — | — |
| D | 5'-D(*CP*TP*GP*TP*TP*CP*TP*TP*GP*AP*TP*GP*TP*TP*CP*TP*GP*G) -3' | dna | 18 | — | — |
| A | Androgen receptor | protein | 74 | 30% helix, 15% strand | P15207 |
| B | Androgen receptor | protein | 71 | 35% helix, 6% strand | P15207 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 423 | 0.66 | 0.79 | 37 | empty |
| 2 | 68 | 0.34 | 0.77 | 15 | empty |
| 3 | 56 | 0.31 | 0.77 | 11 | empty |
| 4 | 63 | 0.29 | 0.75 | 14 | empty |
Interfaces
6 interfaces between chains.
- C–D · 792 Ų buried · 49 hydrogen bonds · nucleic-nucleic
- A–B · 524 Ų buried · 8 hydrogen bonds · protein-protein
- D–A · 382 Ų buried · 7 hydrogen bonds · protein-nucleic
- C–A · 306 Ų buried · 6 hydrogen bonds · protein-nucleic
- D–B · 274 Ų buried · 4 hydrogen bonds · protein-nucleic
Compared structures
- 1R4I · Crystal Structure of Androgen Receptor DNA-Binding Domain Bound to a Direct Repeat… · the same entry in another collection · chain C against C, TM-score 1.00
- P15207 · AlphaFold monomer V2.0 prediction for androgen receptor (P15207) · a predicted model of the same protein · chain B against A, TM-score 0.95
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P15207
- Elsewhere: RCSB PDB 1R4I · PDBe 1R4I · UniProt P15207
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