MolNFT v1 · #138978 · protein
Crystal structure of bacillus subtilis padr in complex with P-coumaric acid
5X13 · Transcriptional regulator: “Crystal structure of bacillus subtilis padr in complex with P-coumaric acid”. X-ray diffraction, 1 ligand (HC4), 2 pockets (best druggability 0.52). MolNFT v1 #138978 on GenesisL1: 3D structure, binding…
- PDB
- 5X13
- Type
- protein
- Length
- 177 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator
- UniProt
- E0TW95
- Ligands
- HC4
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator | protein | 177 | 68% helix, 5% strand | E0TW95 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 235 | 0.52 | 0.76 | 25 | empty |
| 2 | 88 | 0.35 | 0.75 | 15 | HC4 |
Compared structures
- 5X13 · Crystal structure of Bacillus subtilis PadR in complex with p-coumaric acid · 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 E0TW95
- Elsewhere: RCSB PDB 5X13 · PDBe 5X13 · UniProt E0TW95
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