Research workbench
A 2.1 ångström structure of an uncleaved alpha-1-antitrypsin shows variability of the reactive center and other loops
Analyse A 2.1 ångström structure of an uncleaved alpha-1-antitrypsin shows variability… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1HP7
- Type
- protein
- Length
- 376 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-1-antitrypsin
- UniProt
- P01009
- Ligands
- ZN
- Pockets
- 5 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-1-antitrypsin | protein | 376 | 28% helix, 30% strand | P01009 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.52 | 0.86 | 19 | empty |
| 2 | 62 | 0.48 | 0.84 | 14 | empty |
| 3 | 186 | 0.47 | 0.76 | 32 | empty |
| 4 | 77 | 0.41 | 0.79 | 15 | empty |
| 5 | 59 | 0.28 | 0.74 | 15 | empty |
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 1HP7 · A 2.1 ångström structure of an uncleaved alpha-1-antitrypsin shows variability of the… · the same entry in another collection · chain A against A, TM-score 1.00
- P01009 · AlphaFold monomer V2.0 prediction for alpha-1-antitrypsin (P01009) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P01009
- Elsewhere: RCSB PDB 1HP7 · PDBe 1HP7 · UniProt P01009
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