MolNFT v1 · #102672 · protein + DNA
Crystal structure of the S505M mutant of tal effector DHAX3
4OSV: “Crystal structure of the S505M mutant of tal effector DHAX3”. X-ray diffraction, 8 pockets (best druggability 0.80). MolNFT v1 #102672 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4OSV
- 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*AP*TP*CP*TP*CP*TP*CP*T)-3'); DNA (5'…
- UniProt
- Q3ZD72
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HAX3 | protein | 491 | 75% 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*AP*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 | — | — |
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 771 | 0.80 | 0.84 | 103 | empty |
| 2 | 906 | 0.79 | 0.82 | 112 | empty |
| 3 | 230 | 0.54 | 0.77 | 25 | empty |
| 4 | 91 | 0.41 | 0.78 | 15 | empty |
| 5 | 70 | 0.40 | 0.79 | 14 | empty |
Interfaces
9 interfaces between chains.
- A–I · 1707 Ų buried · 19 hydrogen bonds · protein-nucleic
- B–G · 1701 Ų buried · 19 hydrogen bonds · protein-nucleic
- I–J · 754 Ų buried · 67 hydrogen bonds · nucleic-nucleic
- A–B · 745 Ų buried · 4 hydrogen bonds · protein-protein
- G–H · 734 Ų buried · 61 hydrogen bonds · nucleic-nucleic
Compared structures
- 4OSV · Crystal structure of the S505M 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 4OSV · PDBe 4OSV · UniProt Q3ZD72
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