Research workbench
Crystal structure of the hood domain of anabaena hetr in complex with the hexapeptide ergsgr derived from pats
Analyse Crystal structure of the hood domain of anabaena hetr in complex with the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4YNL
- Type
- protein
- Length
- 330 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heterocyst differentiation control protein; Heterocyst inhibition-signaling peptide
- UniProt
- P27709, O52748
- Pockets
- 2 · best druggability 0.39
Structure
x-ray diffraction · 3 distinct chains · 53% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, N | Heterocyst differentiation control protein | protein | 76 | 55% helix, 26% strand | P27709 |
| A, M | Heterocyst differentiation control protein | protein | 77 | 55% helix, 26% strand | P27709 |
| D, C, P, R | Heterocyst inhibition-signaling peptide | protein | 6 | 0% helix, 50% strand | O52748 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.39 | 0.80 | 15 | empty |
| 2 | 52 | 0.31 | 0.77 | 12 | empty |
Interfaces
14 interfaces between chains.
- B–A · 3887 Ų buried · 67 hydrogen bonds · protein-protein
- N–M · 3816 Ų buried · 61 hydrogen bonds · protein-protein
- A–M · 434 Ų buried · 1 hydrogen bond · protein-protein
- M–R · 362 Ų buried · 19 hydrogen bonds · protein-protein
- N–P · 360 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4YNL · Crystal structure of the hood domain of Anabaena HetR in complex with the hexapeptide… · the same entry in another collection · chain R against R, TM-score 1.00
- P27709 · AlphaFold monomer V2.0 prediction for DNA-binding transcriptional activator hetr (P27709) · a predicted model of the same protein · chain A against A, TM-score 0.97
- O52748 · AlphaFold monomer V2.0 prediction for transcriptional regulator peptide pats (O52748) · a predicted model of the same protein · chain D against A, TM-score 0.42
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 P27709
- Every structure of UniProt O52748
- Elsewhere: RCSB PDB 4YNL · PDBe 4YNL · UniProt P27709 · UniProt O52748
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