MolNFT v1 · #49814 · protein
Secreted aspartic proteinase (sap) 5 from candida albicans
2QZX · Candidapepsin-5: “Secreted aspartic proteinase (sap) 5 from candida albicans”. X-ray diffraction, 1 ligand (IVA), 11 pockets (best druggability 0.70). MolNFT v1 #49814 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2QZX
- Type
- protein
- Length
- 694 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Candidapepsin-5; Pepstatin
- EC
- 3.4.23.24
- UniProt
- P43094
- Ligands
- IVA
- Pockets
- 11 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Candidapepsin-5 (EC 3.4.23.24) | protein | 342 | 10% helix, 49% strand | P43094 |
| C, D | Pepstatin | protein | 5 | 0% helix, 40% strand | — |
Ligands and binding sites
- IVA · Isovaleric acid · ligand · 2 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 386 | 0.70 | 0.82 | 45 | empty |
| 2 | 364 | 0.66 | 0.80 | 41 | empty |
| 3 | 88 | 0.49 | 0.83 | 18 | empty |
| 4 | 210 | 0.49 | 0.75 | 22 | IVA |
| 5 | 96 | 0.46 | 0.80 | 29 | empty |
Interfaces
3 interfaces between chains.
- A–B · 915 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 586 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 581 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 4 modified, 2 covalent (disulfide, nonstandard, covalent ligand).
Compared structures
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 P43094
- Elsewhere: RCSB PDB 2QZX · PDBe 2QZX · UniProt P43094
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