MolNFT v1 · #189289 · protein
Crystal structure of PSEST3 complexed with malonate
7V8W · Esterase: “Crystal structure of PSEST3 complexed with malonate”. X-ray diffraction, 2 pockets (best druggability 0.59). MolNFT v1 #189289 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7V8W
- Type
- protein
- Length
- 255 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Esterase
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Esterase | protein | 255 | 38% helix, 25% strand | — |
Ligands and binding sites
- ACT · Acetate ion · additive · 2 copies · chains A
- MLA · Malonic acid · additive · chains A
- EDO · 1,2-ethanediol · additive · chains A
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 | 237 | 0.59 | 0.80 | 34 | MLA |
| 2 | 55 | 0.33 | 0.77 | 12 | empty |
Compared structures
- 7V8W · Crystal structure of PsEst3 S128A variant complexed with malonate · 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
- Elsewhere: RCSB PDB 7V8W · PDBe 7V8W
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