MolNFT v1 · #102851 · protein
Humicola insolens cutinase in complex with mono-ethylphosphate
4OYL: “Humicola insolens cutinase in complex with mono-ethylphosphate”. X-ray diffraction, 4 pockets (best druggability 0.57). MolNFT v1 #102851 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4OYL
- Type
- protein
- Length
- 573 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cutinase
- Pockets
- 4 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Cutinase | protein | 191 | 44% helix, 15% strand | — |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.57 | 0.79 | 33 | empty |
| 2 | 207 | 0.56 | 0.79 | 27 | empty |
| 3 | 181 | 0.51 | 0.78 | 18 | empty |
| 4 | 185 | 0.44 | 0.74 | 31 | empty |
Interfaces
3 interfaces between chains.
- B–C · 366 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 245 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 220 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 6 modified (disulfide, nonstandard).
Compared structures
- 4OYL · Humicola insolens cutinase in complex with mono-ethylphosphate · 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 4OYL · PDBe 4OYL
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