MolNFT v1 · #38713 · protein
Secreted aspartic proteinase (sap) 3 from candida albicans complexed with pepstatin a
2H6T · Candidapepsin-3: “Secreted aspartic proteinase (sap) 3 from candida albicans complexed with pepstatin a”. X-ray diffraction, 2 ligands (IVA, ZN), 2 pockets (best druggability 0.49). MolNFT v1 #38713 on GenesisL1: 3D structure…
- PDB
- 2H6T
- Type
- protein
- Length
- 345 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Candidapepsin-3; Pepstatin a
- EC
- 3.4.23.24
- UniProt
- P43092
- Ligands
- IVA, ZN
- Pockets
- 2 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Candidapepsin-3 (EC 3.4.23.24) | protein | 340 | 10% helix, 51% strand | P43092 |
| B | Pepstatin a | protein | 5 | 0% helix, 40% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.49 | 0.79 | 25 | empty |
| 2 | 86 | 0.36 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 575 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 2 modified, 1 covalent (disulfide, nonstandard, covalent ligand).
Compared structures
- 2H6T · Secreted aspartic proteinase (Sap) 3 from Candida albicans complexed with pepstatin A · the same entry in another collection · chain B against B, 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 P43092
- Elsewhere: RCSB PDB 2H6T · PDBe 2H6T · UniProt P43092
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