MolNFT v1 · #148579 · protein
The crystal structure of a feruloyl esterase C from fusarium oxysporum.
6FAT · Carboxylic ester hydrolase: “The crystal structure of a feruloyl esterase C from fusarium oxysporum.”. X-ray diffraction, 4 ligands (NAG, MAN, BMA), 7 pockets (best druggability 0.86). MolNFT v1 #148579 on GenesisL1: 3D structure…
- PDB
- 6FAT
- Type
- protein
- Length
- 1,016 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxylic ester hydrolase
- EC
- 3.1.1.-
- UniProt
- A0A1D3S5H0
- Ligands
- NAG, MAN, BMA, CA
- Pockets
- 7 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Carboxylic ester hydrolase (EC 3.1.1.-) | protein | 508 | 37% helix, 20% strand | A0A1D3S5H0 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 14 copies · chains A, B
- MAN · alpha-D-mannopyranose · sugar · 14 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 5 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 962 | 0.86 | 0.87 | 106 | empty |
| 2 | 238 | 0.62 | 0.81 | 40 | empty |
| 3 | 339 | 0.62 | 0.78 | 42 | empty |
| 4 | 308 | 0.60 | 0.78 | 38 | empty |
| 5 | 110 | 0.47 | 0.79 | 21 | NAG |
Interfaces
1 interface between chains.
- A–B · 1435 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide, 8 glycan (disulfide, N-glycosylation).
Compared structures
- 6FAT · The crystal structure of a feruloyl esterase C from Fusarium oxysporum. · 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 A0A1D3S5H0
- Elsewhere: RCSB PDB 6FAT · PDBe 6FAT · UniProt A0A1D3S5H0
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