Research workbench
Gr DNA-binding DOMAIN:FKBP5 16BP complex-49
Analyse Gr DNA-binding DOMAIN:FKBP5 16BP complex-49 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3G6U
- Type
- protein + DNA
- Length
- 185 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucocorticoid receptor; DNA (5'-D(*TP*AP*GP*AP*AP*CP*AP*GP*GP*GP*TP*GP*TP*TP*CP*T)- 3')…
- UniProt
- P06536
- Ligands
- ZN
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucocorticoid receptor | protein | 77 | 34% helix, 10% strand | P06536 |
| B | Glucocorticoid receptor | protein | 76 | 34% helix, 5% strand | P06536 |
| D | DNA (5'-D(*TP*AP*GP*AP*AP*CP*AP*GP*GP*GP*TP*GP*TP*TP*CP*T)- 3') | dna | 16 | — | — |
| C | DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*CP*CP*CP*TP*GP*TP*TP*CP*T)- 3') | dna | 16 | — | — |
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
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 534 | 0.68 | 0.79 | 43 | empty |
| 2 | 59 | 0.34 | 0.78 | 13 | empty |
| 3 | 53 | 0.33 | 0.78 | 10 | empty |
| 4 | 52 | 0.29 | 0.76 | 15 | empty |
| 5 | 54 | 0.28 | 0.75 | 14 | empty |
Interfaces
6 interfaces between chains.
- D–C · 638 Ų buried · 71 hydrogen bonds · nucleic-nucleic
- A–B · 589 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 369 Ų buried · 4 hydrogen bonds · protein-nucleic
- B–C · 368 Ų buried · 6 hydrogen bonds · protein-nucleic
- A–C · 353 Ų buried · 5 hydrogen bonds · protein-nucleic
Compared structures
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 P06536
- Elsewhere: RCSB PDB 3G6U · PDBe 3G6U · UniProt P06536
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