Research workbench
Crystal structure of pqs response protein pqse in complex with 2-(1H- pyrrol-1-YL)BENZOIC acid
Analyse Crystal structure of pqs response protein pqse in complex with 2-(1H… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5HIQ
- Type
- protein
- Length
- 301 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pqse
- UniProt
- P20581
- Ligands
- 60Q, FE
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pqse | protein | 301 | 39% helix, 23% strand | P20581 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 224 | 0.62 | 0.81 | 32 | 60Q |
Compared structures
- 5HIQ · Crystal Structure of PQS Response Protein PqsE in Complex with 2-(1H-pyrrol-1-yl)benzoic… · the same entry in another collection · chain A against A, TM-score 1.00
- P20581 · AlphaFold monomer V2.0 prediction for 2-aminobenzoylacetyl-CoA thioesterase (P20581) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P20581
- Elsewhere: RCSB PDB 5HIQ · PDBe 5HIQ · UniProt P20581
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