MolNFT v1 · #30711 · protein
On the routine use of soft X-rays in macromolecular crystallography, part III- the optimal data collection wavelength
2A7C · Elastase 1: “On the routine use of soft X-rays in macromolecular crystallography, part III- the optimal data collection…”. X-ray diffraction, 2 ligands (SO4, XE), 2 pockets (best druggability 0.35). MolNFT v1 #30711 on GenesisL1: 3D…
- PDB
- 2A7C
- Type
- protein
- Length
- 240 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Elastase 1
- EC
- 3.4.21.36
- UniProt
- P00772
- Ligands
- SO4, XE
- Pockets
- 2 · best druggability 0.35
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Elastase 1 (EC 3.4.21.36) | protein | 240 | 11% helix, 39% strand | P00772 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A
- XE · Xenon · ion · chains A
- GOL · Glycerol · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 91 | 0.35 | 0.75 | 22 | SO4, XE |
| 2 | 53 | 0.31 | 0.76 | 12 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2A7C · On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The… · 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 2A7C · PDBe 2A7C · UniProt P00772
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