MolNFT v1 · #117165 · protein + DNA
Crystal structure of hinmlr, a merr family regulator lacking the sensor domain, bound to palyndromic promoter DNA
5E01 · Uncharacterized hth-type transcriptional regulator HI_0186: “Crystal structure of hinmlr, a merr family regulator lacking the sensor domain, bound to palyndromic promoter…”. X-ray diffraction, 3 pockets (best druggability 0.47).…
- PDB
- 5E01
- Type
- protein + DNA
- Length
- 289 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized hth-type transcriptional regulator HI_0186…
- UniProt
- P44558
- Pockets
- 3 · best druggability 0.47
Structure
x-ray diffraction · 3 distinct chains · 70% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized hth-type transcriptional regulator HI_0186 | protein | 126 | 71% helix, 5% strand | P44558 |
| B | Uncharacterized hth-type transcriptional regulator HI_0186 | protein | 127 | 70% helix, 3% strand | P44558 |
| C, D | 5'-D(*CP*TP*TP*AP*GP*AP*GP*TP*GP*CP*AP*CP*TP*CP*TP*AP*AP*G) -3' | dna | 18 | — | — |
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.47 | 0.75 | 22 | empty |
| 2 | 186 | 0.46 | 0.74 | 23 | empty |
| 3 | 53 | 0.28 | 0.74 | 14 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1794 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 800 Ų buried · 74 hydrogen bonds · nucleic-nucleic
- A–C · 361 Ų buried · 3 hydrogen bonds · protein-nucleic
- B–D · 355 Ų buried · 2 hydrogen bonds · protein-nucleic
- B–C · 313 Ų buried · 15 hydrogen bonds · protein-nucleic
Compared structures
- 5E01 · Crystal structure of HiNmlR, a MerR family regulator lacking the sensor domain, bound to… · the same entry in another collection · chain A against A, TM-score 1.00
- P44558 · AlphaFold monomer V2.0 prediction for uncharacterized hth-type transcriptional regulator… · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P44558
- Elsewhere: RCSB PDB 5E01 · PDBe 5E01 · UniProt P44558
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