MolNFT v1 · #102667 · protein + DNA
Crystal structure of the S505R mutant of tal effector DHAX3
4OSQ: “Crystal structure of the S505R mutant of tal effector DHAX3”. X-ray diffraction, 1 ligand (MG), 7 pockets (best druggability 0.72). MolNFT v1 #102667 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4OSQ
- Type
- protein + DNA
- Length
- 1,046 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*GP*TP*CP*TP*CP*TP*CP*T)-3'); DNA (5'…
- UniProt
- Q3ZD72
- Ligands
- MG
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HAX3 | protein | 491 | 73% helix, 0% strand | Q3ZD72 |
| B | HAX3 | protein | 487 | 72% helix, 0% strand | Q3ZD72 |
| G, I | DNA (5'- D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*GP*TP*CP*TP*CP*TP*CP*T)-3') | dna | 17 | — | — |
| H, J | DNA (5'- D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3') | dna | 17 | — | — |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 444 | 0.72 | 0.83 | 50 | empty |
| 2 | 777 | 0.72 | 0.78 | 75 | empty |
| 3 | 514 | 0.72 | 0.81 | 69 | MG |
| 4 | 482 | 0.71 | 0.81 | 65 | empty |
| 5 | 233 | 0.55 | 0.78 | 26 | empty |
Interfaces
9 interfaces between chains.
- B–G · 1696 Ų buried · 20 hydrogen bonds · protein-nucleic
- A–I · 1695 Ų buried · 19 hydrogen bonds · protein-nucleic
- A–B · 789 Ų buried · 3 hydrogen bonds · protein-protein
- I–J · 755 Ų buried · 65 hydrogen bonds · nucleic-nucleic
- G–H · 739 Ų buried · 59 hydrogen bonds · nucleic-nucleic
Compared structures
- 4OSQ · Crystal structure of the S505R mutant of TAL effector dHax3 · the same entry in another collection · chain A against A, 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 4OSQ · PDBe 4OSQ · UniProt Q3ZD72
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.