MolNFT v1 · #148027 · protein
The transcriptional regulator prfa from listeria monocytogenes in complex with a ring-fused 2-pyridone (KSK29)
6EUU · Listeriolysin positive regulatory factor a: “The transcriptional regulator prfa from listeria monocytogenes in complex with a ring-fused 2-pyridone (KSK29)”. X-ray diffraction, 2 ligands (K29, NA), 6 pockets (best druggability…
- PDB
- 6EUU
- Type
- protein
- Length
- 455 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Listeriolysin positive regulatory factor a
- UniProt
- Q4TVQ0
- Ligands
- K29, NA
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Listeriolysin positive regulatory factor a | protein | 227 | 44% helix, 25% strand | Q4TVQ0 |
| B | Listeriolysin positive regulatory factor a | protein | 228 | 47% helix, 25% strand | Q4TVQ0 |
Ligands and binding sites
- K29 · (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid · ligand · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- IPA · Isopropyl alcohol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 838 | 0.84 | 0.85 | 68 | K29, IPA |
| 2 | 482 | 0.81 | 0.87 | 48 | IPA |
| 3 | 67 | 0.74 | 0.98 | 19 | IPA |
| 4 | 53 | 0.72 | 0.99 | 20 | IPA |
| 5 | 113 | 0.39 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2142 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6EUU · The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a… · 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 Q4TVQ0
- Elsewhere: RCSB PDB 6EUU · PDBe 6EUU · UniProt Q4TVQ0
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