MolNFT v1 · #102680 · protein + DNA
Crystal structure of the S505L mutant of tal effector DHAX3
4OT3: “Crystal structure of the S505L mutant of tal effector DHAX3”. X-ray diffraction, 5 pockets (best druggability 0.82). MolNFT v1 #102680 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4OT3
- Type
- protein + DNA
- Length
- 1,051 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 0.82
Structure
x-ray diffraction · 6 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HAX3 | protein | 493 | 75% helix, 0% strand | Q3ZD72 |
| B | HAX3 | protein | 492 | 72% 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 | 16 | — | — |
| H | DNA (5'- D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3') | dna | 16 | — | — |
| I | DNA (5'- D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3') | dna | 17 | — | — |
| 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
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 841 | 0.82 | 0.85 | 115 | empty |
| 2 | 921 | 0.79 | 0.82 | 107 | empty |
| 3 | 257 | 0.56 | 0.77 | 30 | empty |
| 4 | 176 | 0.39 | 0.73 | 18 | empty |
| 5 | 100 | 0.35 | 0.74 | 18 | empty |
Interfaces
10 interfaces between chains.
- A–I · 1722 Ų buried · 19 hydrogen bonds · protein-nucleic
- B–G · 1671 Ų buried · 19 hydrogen bonds · protein-nucleic
- A–B · 784 Ų buried · 2 hydrogen bonds · protein-protein
- I–J · 758 Ų buried · 68 hydrogen bonds · nucleic-nucleic
- G–H · 694 Ų buried · 60 hydrogen bonds · nucleic-nucleic
Compared structures
- 4OT3 · Crystal structure of the S505L 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 4OT3 · PDBe 4OT3 · UniProt Q3ZD72
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