MolNFT v1 · #102658 · protein + DNA
Crystal structure of the tal effector DHAX3 with ni rvd at 2.2 ångström resolution
4OSH: “Crystal structure of the tal effector DHAX3 with ni rvd at 2.2 ångström resolution”. X-ray diffraction, 5 pockets (best druggability 0.80). MolNFT v1 #102658 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4OSH
- Type
- protein + DNA
- Length
- 1,037 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HAX3; DNA (5'- D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'); DNA (5'…
- UniProt
- Q3ZD72
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 6 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | HAX3 | protein | 489 | 73% helix, 0% strand | Q3ZD72 |
| G | DNA (5'- D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3') | dna | 15 | — | — |
| H | DNA (5'- D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3') | dna | 15 | — | — |
| A | HAX3 | protein | 487 | 75% helix, 0% strand | Q3ZD72 |
| I | DNA (5'- D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3') | dna | 15 | — | — |
| J | DNA (5'- D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3') | dna | 16 | — | — |
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 916 | 0.80 | 0.82 | 113 | empty |
| 2 | 528 | 0.78 | 0.85 | 73 | empty |
| 3 | 636 | 0.61 | 0.73 | 49 | empty |
| 4 | 352 | 0.58 | 0.77 | 35 | empty |
| 5 | 213 | 0.53 | 0.77 | 26 | empty |
Interfaces
7 interfaces between chains.
- A–I · 1721 Ų buried · 21 hydrogen bonds · protein-nucleic
- B–G · 1688 Ų buried · 23 hydrogen bonds · protein-nucleic
- I–J · 660 Ų buried · 56 hydrogen bonds · nucleic-nucleic
- G–H · 623 Ų buried · 49 hydrogen bonds · nucleic-nucleic
- B–H · 582 Ų buried · 3 hydrogen bonds · protein-nucleic
Compared structures
- 4OSH · Crystal structure of the TAL effector dHax3 with NI RVD at 2.2 angstrom resolution · the same entry in another collection · chain B against B, TM-score 1.00
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 Q3ZD72
- Elsewhere: RCSB PDB 4OSH · PDBe 4OSH · UniProt Q3ZD72
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