MolNFT v1 · #93851 · protein + DNA
Crystal structure of E43A iscr mutant bound to its promoter
4HF2 · Hth-type transcriptional regulator iscr: “Crystal structure of E43A iscr mutant bound to its promoter”. X-ray diffraction, 2 pockets (best druggability 0.66). MolNFT v1 #93851 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4HF2
- Type
- protein + DNA
- Length
- 294 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator iscr; DNA (29-mer)
- UniProt
- P0AGK8
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 4 distinct chains · 58% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator iscr | protein | 115 | 58% helix, 10% strand | P0AGK8 |
| B | Hth-type transcriptional regulator iscr | protein | 121 | 57% helix, 8% strand | P0AGK8 |
| C | DNA (29-mer) | dna | 29 | — | — |
| D | DNA (29-mer) | dna | 29 | — | — |
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 556 | 0.66 | 0.77 | 62 | empty |
| 2 | 213 | 0.55 | 0.79 | 35 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1469 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 1277 Ų buried · 152 hydrogen bonds · nucleic-nucleic
- A–C · 552 Ų buried · 12 hydrogen bonds · protein-nucleic
- B–D · 539 Ų buried · 10 hydrogen bonds · protein-nucleic
- B–C · 464 Ų buried · 7 hydrogen bonds · protein-nucleic
Compared structures
- 4HF2 · Crystal Structure of E43A IscR mutant bound to its promoter · the same entry in another collection · chain B against B, TM-score 1.00
- P0AGK8 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator iscr (P0AGK8) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P0AGK8
- Elsewhere: RCSB PDB 4HF2 · PDBe 4HF2 · UniProt P0AGK8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.