MolNFT v1 · #113568 · protein
Crystal structure of fusarium oxysporum cutinase
5AJH: “Crystal structure of fusarium oxysporum cutinase”. X-ray diffraction, 2 pockets (best druggability 0.73). MolNFT v1 #113568 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5AJH
- Type
- protein
- Length
- 596 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cutinase
- EC
- 3.1.1.74
- UniProt
- X0BTD8
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cutinase (EC 3.1.1.74) | protein | 201 | 45% helix, 16% strand | X0BTD8 |
| B | Cutinase (EC 3.1.1.74) | protein | 199 | 39% helix, 16% strand | X0BTD8 |
| C | Cutinase (EC 3.1.1.74) | protein | 196 | 44% helix, 15% strand | X0BTD8 |
Ligands and binding sites
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 529 | 0.73 | 0.81 | 60 | MPD |
| 2 | 417 | 0.66 | 0.79 | 43 | empty |
Interfaces
3 interfaces between chains.
- B–C · 268 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 258 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 199 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 5AJH · Crystal structure of Fusarium oxysporum cutinase · 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 X0BTD8
- Elsewhere: RCSB PDB 5AJH · PDBe 5AJH · UniProt X0BTD8
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