MolNFT v1 · #147957 · protein
Interaction of the peptide CF3-leu-ala-nh-C6H4-CF3(TFLA) with porcine pancreatic elastase. X-ray studies at 1.8 ångströms
6EST: “Interaction of the peptide CF3-leu-ala-nh-C6H4-CF3(TFLA) with porcine pancreatic elastase. X-ray studies at…”. X-ray diffraction, 2 ligands (CA, SO4), 2 pockets (best druggability 0.58). MolNFT v1 #147957 on GenesisL1: 3D structure…
- PDB
- 6EST
- Type
- protein
- Length
- 240 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Porcine pancreatic elastase
- EC
- 3.4.21.36
- UniProt
- P00772
- Ligands
- CA, SO4
- Pockets
- 2 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Porcine pancreatic elastase (EC 3.4.21.36) | protein | 240 | 11% helix, 40% strand | P00772 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- DMF · Dimethylformamide · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 57 | 0.58 | 0.90 | 18 | empty |
| 2 | 58 | 0.29 | 0.75 | 15 | DMF |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6EST · Interaction of the peptide CF3-leu-ala-nh-C6H4-CF3(TFLA) with porcine pancreatic… · the same entry in another collection · chain A against A, TM-score 1.00
- P00772 · AlphaFold monomer V2.0 prediction for chymotrypsin-like elastase family member 1 (P00772) · a predicted model of the same protein · 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 P00772
- Elsewhere: RCSB PDB 6EST · PDBe 6EST · UniProt P00772
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