MolNFT v1 · #90527 · protein
Staphylococcus aureus marr in complex with salicylate and kanamycin
4EM0 · Uncharacterized hth-type transcriptional regulator SAR2349: “Staphylococcus aureus marr in complex with salicylate and kanamycin”. X-ray diffraction, 2 ligands (SAL, KAN), 3 pockets (best druggability 0.44). MolNFT v1 #90527 on…
- PDB
- 4EM0
- Type
- protein
- Length
- 150 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized hth-type transcriptional regulator SAR2349
- UniProt
- Q6GEG9
- Ligands
- SAL, KAN
- Pockets
- 3 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Uncharacterized hth-type transcriptional regulator SAR2349 | protein | 150 | 68% helix, 6% strand | Q6GEG9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 60 | 0.44 | 0.82 | 10 | SAL |
| 2 | 141 | 0.44 | 0.75 | 17 | KAN |
| 3 | 58 | 0.31 | 0.75 | 14 | empty |
Compared structures
- 4EM0 · staphylococcus aureus MarR in complex with salicylate and kanamycin · the same entry in another collection · chain B against B, TM-score 1.00
- Q6GEG9 · AlphaFold monomer V2.0 prediction for uncharacterized hth-type transcriptional regulator… · a predicted model of the same protein · chain B against A, TM-score 0.87
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 Q6GEG9
- Elsewhere: RCSB PDB 4EM0 · PDBe 4EM0 · UniProt Q6GEG9
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