MolNFT v1 · #50184 · protein
Crystal structure of a putative lipase (NP_343859.1) from sulfolobus solfataricus at 1.85 a resolution
2RAU · Putative esterase: “Crystal structure of a putative lipase (NP_343859.1) from sulfolobus solfataricus at 1.85 a resolution”. X-ray diffraction, 2 ligands (UNL, CA), 3 pockets (best druggability 0.79). MolNFT v1 #50184 on GenesisL1…
- PDB
- 2RAU
- Type
- protein
- Length
- 350 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative esterase
- UniProt
- Q97VU1
- Ligands
- UNL, CA
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative esterase | protein | 350 | 37% helix, 23% strand | Q97VU1 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · chains A
- CA · Calcium ion · metal · 3 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 733 | 0.79 | 0.83 | 77 | PG4, UNL, PEG |
| 2 | 57 | 0.53 | 0.88 | 17 | empty |
| 3 | 62 | 0.30 | 0.75 | 20 | empty |
Modifications
Observed in the structure: 5 modified (engineered).
Compared structures
- 2RAU · Crystal structure of a putative lipase (NP_343859.1) from Sulfolobus solfataricus at 1.85… · 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 Q97VU1
- Elsewhere: RCSB PDB 2RAU · PDBe 2RAU · UniProt Q97VU1
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