MolNFT v1 · #104358 · protein
Crystal structure of PHOSPHOLIPASE/CARBOXYLESTERASE from haliangium ochraceum
4Q82: “Crystal structure of PHOSPHOLIPASE/CARBOXYLESTERASE from haliangium ochraceum”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.40). MolNFT v1 #104358 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Q82
- Type
- protein
- Length
- 469 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PHOSPHOLIPASE/CARBOXYLESTERASE
- UniProt
- D0LMJ0
- Ligands
- CL
- Pockets
- 1 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PHOSPHOLIPASE/CARBOXYLESTERASE | protein | 236 | 36% helix, 21% strand | D0LMJ0 |
| B | PHOSPHOLIPASE/CARBOXYLESTERASE | protein | 233 | 36% helix, 21% strand | D0LMJ0 |
Ligands and binding sites
- CL · Chloride ion · ion · 6 copies · chains A, B
- GOL · Glycerol · additive · chains B
- FMT · Formic acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 153 | 0.40 | 0.73 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 415 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 modified, 4 disulfide (engineered, disulfide, nonstandard).
Compared structures
- 4Q82 · Crystal Structure of Phospholipase/Carboxylesterase from Haliangium ochraceum · 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 D0LMJ0
- Elsewhere: RCSB PDB 4Q82 · PDBe 4Q82 · UniProt D0LMJ0
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