UniProt P01009
Alpha-1-antitrypsin (P01009)
Alpha-1-antitrypsin (UniProt P01009): 74 experimental structures and 1 predicted model on GenesisL1, 12 ligands bound, 36 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P01009
- Protein
- Alpha-1-antitrypsin
- Experimental structures
- 74
- Predicted models
- 1
- Ligands
- 12
- Pockets
- 36 · 11 records with a druggable one
Structures
75 records of P01009 in the MolNFT archive: 74 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1ATU | Uncleaved alpha-1-antitrypsin | x-ray diffraction | A | — | — |
| 1ATU | Uncleaved alpha-1-antitrypsin | x-ray diffraction | A | — | — |
| 1D5S | Crystal structure of cleaved antitrypsin polymer | x-ray diffraction | A, B | — | — |
| 1D5S | Crystal structure of cleaved antitrypsin polymer | x-ray diffraction | A, B | — | — |
| 1EZX | Crystal structure of a SERPIN:PROTEASE complex | x-ray diffraction | A, B | — | — |
| 1EZX | Crystal structure of a SERPIN:PROTEASE complex | x-ray diffraction | A, B | — | — |
| 1HP7 | A 2.1 ångström structure of an uncleaved alpha-1-antitrypsin shows variability of the reactive… | x-ray diffraction | A | — | — |
| 1HP7 | A 2.1 ångström structure of an uncleaved alpha-1-antitrypsin shows variability of the reactive… | x-ray diffraction | A | — | — |
| 1IZ2 | Interactions causing the kinetic trap in serpin protein folding | x-ray diffraction | A | — | — |
| 1IZ2 | Interactions causing the kinetic trap in serpin protein folding | x-ray diffraction | A | — | — |
| 1KCT | ALPHA1-antitrypsin | x-ray diffraction | A | — | — |
| 1KCT | ALPHA1-antitrypsin | x-ray diffraction | A | — | — |
| 1OO8 | Crystal structure of A1PI-pittsburgh in the native conformation | x-ray diffraction | A | — | — |
| 1OO8 | Crystal structure of A1PI-pittsburgh in the native conformation | x-ray diffraction | A | — | — |
| 1OPH | Non-covalent complex between alpha-1-pi-pittsburgh and S195A trypsin | x-ray diffraction | A | — | — |
| 1OPH | Non-covalent complex between alpha-1-pi-pittsburgh and S195A trypsin | x-ray diffraction | A | — | — |
| 1PSI | Intact recombined alpha1-antitrypsin mutant PHE 51 to LEU | x-ray diffraction | A | — | — |
| 1PSI | Intact recombined ALPHA1-antitrypsin mutant phe 51 to leu | x-ray diffraction | A | — | — |
| 1QLP | 2.0 ångström structure of intact alpha-1-antitrypsin: a canonical template for active serpins | x-ray diffraction | A | — | — |
| 1QLP | 2.0 ångström structure of intact alpha-1-antitrypsin: a canonical template for active serpins | x-ray diffraction | A | — | — |
| 1QMB | Cleaved alpha-1-antitrypsin polymer | x-ray diffraction | A, B | — | — |
| 1QMB | Cleaved alpha-1-antitrypsin polymer | x-ray diffraction | A, B | — | — |
| 2D26 | Active site distortion is sufficient for proteinase inhibit second crystal structure of covalent… | x-ray diffraction | A, B | — | — |
| 2D26 | Active site distortion is sufficient for proteinase inhibit second crystal structure of covalent… | x-ray diffraction | A, B | — | — |
| 2QUG | Crystal structure of alpha-1-antitrypsin, crystal form A | x-ray diffraction | A | — | — |
| 2QUG | Crystal structure of alpha-1-antitrypsin, crystal form a | x-ray diffraction | A | — | — |
| 3CWL | Crystal structure of alpha-1-antitrypsin, crystal form B | x-ray diffraction | A | — | — |
| 3CWL | Crystal structure of alpha-1-antitrypsin, crystal form B | x-ray diffraction | A | — | — |
| 3CWM | Crystal structure of alpha-1-antitrypsin complexed with citrate | x-ray diffraction | A | — | — |
| 3CWM | Crystal structure of alpha-1-antitrypsin complexed with citrate | x-ray diffraction | A | — | — |
| 3DRM | 2.2 Angstrom Crystal Structure of Thr114Phe Alpha1-Antitrypsin | x-ray diffraction | A | — | — |
| 3DRM | 2.2 ångström crystal structure of THR114PHE ALPHA1-antitrypsin | x-ray diffraction | A | — | — |
| 3DRU | Crystal Structure of Gly117Phe Alpha1-Antitrypsin | x-ray diffraction | A, B, C | — | — |
| 3DRU | Crystal structure of GLY117PHE ALPHA1-antitrypsin | x-ray diffraction | A, B, C | — | — |
| 3NDD | Cleaved antitrypsin with P10 Pro, and P9-P6 Asp | x-ray diffraction | A, B | — | — |
| 3NDD | Cleaved antitrypsin with P10 pro, and P9-P6 asp | x-ray diffraction | A, B | — | — |
| 3NDF | Cleaved antitrypsin with P8-P6 Asp | x-ray diffraction | A, B | — | — |
| 3NDF | Cleaved antitrypsin with P8-P6 asp | x-ray diffraction | A, B | — | — |
| 3NE4 | 1.8 Angstrom structure of intact native wild-type alpha-1-antitrypsin | x-ray diffraction | A | — | — |
| 3NE4 | 1.8 ångström structure of intact native wild-type alpha-1-antitrypsin | x-ray diffraction | A | — | — |
| 3T1P | Crystal structure of an alpha-1-antitrypsin trimer | x-ray diffraction | A | — | — |
| 3T1P | Crystal structure of an alpha-1-antitrypsin trimer | x-ray diffraction | A | — | — |
| 4PYW | 1.92 angstrom crystal structure of A1AT:TTAI ternary complex | x-ray diffraction | A | — | — |
| 4PYW | 1.92 ångström crystal structure of A1AT:TTAI ternary complex | x-ray diffraction | A | — | — |
| 5IO1 | Crystal structure of recombinant human Z alpha-1-antitrypsin | x-ray diffraction | A, B | NAG | — |
| 5IO1 | Crystal structure of recombinant human Z alpha-1-antitrypsin | x-ray diffraction | A, B | — | — |
| 5NBU | Crystal structure of native alpha-1-antitrypsin with seven stabilising mutations | x-ray diffraction | A | OXM | 3 (best 0.51) |
| 5NBU | Crystal structure of native alpha-1-antitrypsin with seven stabilising mutations | x-ray diffraction | A | OXM | — |
| 5NBV | Crystal structure of native alpha-1-antitrypsin with seven stabilising mutations | x-ray diffraction | A | — | — |
| 5NBV | Crystal structure of native alpha-1-antitrypsin with seven stabilising mutations | x-ray diffraction | A | — | — |
| 6HX4 | Fab fragment of a native monomer-selective antibody in complex with alpha-1-antitrypsin | x-ray diffraction | A, B | — | — |
| 6HX4 | Fab fragment of a native monomer-selective antibody in complex with alpha-1-antitrypsin | x-ray diffraction | A, B | — | — |
| 6I3Z | Fab fragment of an antibody selective for wild-type alpha-1-antitrypsin in complex with its antigen | x-ray diffraction | A, B | NA, SO4 | — |
| 6I3Z | Fab fragment of an antibody selective for wild-type alpha-1- antitrypsin in complex with its antigen | x-ray diffraction | A, B | NA, SO4 | — |
| 6I4V | Alpha-1-antitrypsin Queen's (K154N) variant | x-ray diffraction | A | GLY, H3B | 4 (best 0.59) |
| 6I4V | Alpha-1-antitrypsin QUEEN'S (K154N) variant | x-ray diffraction | A | H3B | — |
| 6I7U | Alpha-1-antitrypsin (Ala250Met) in the native conformation | x-ray diffraction | A | — | 4 (best 0.52) |
| 6I7U | Alpha-1-antitrypsin (ALA250MET) in the native conformation | x-ray diffraction | A | — | — |
| 6IAY | Alpha-1-antitrypsin QUEEN'S (LYS154ASN) variant | x-ray diffraction | A | — | — |
| 6ROD | Alpha-1-antitrypsin (Ser36Arg/Glu78Arg/Glu266Arg) in the native conformation | x-ray diffraction | A | — | 3 (best 0.53) |
15 records more on the page itself.
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 5 records
- MAN · alpha-D-mannopyranose · in 3 records
- SO4 · Sulfate ion · in 3 records
- GLY · Glycine · in 2 records
- H3B · 3-trimethylsilylpropane-1-sulfonic acid · in 2 records
- NA · Sodium ion · in 2 records
- OXM · Oxamic acid · in 2 records
- UL2 · N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide · in 2 records
- CYS · Cysteine · in 1 record
- PO4 · Phosphate ion · in 1 record
- R7Z · ~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide · in 1 record
- UKZ · N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide · in 1 record
Experiment against prediction
- 8PI2 chain A against the predicted model P01009: TM-score 1.00, RMSD 0.42 Å
- 8QZ5 chain A against the predicted model P01009: TM-score 1.00, RMSD 0.45 Å
- 6I4V chain A against the predicted model P01009: TM-score 1.00, RMSD 0.47 Å
- 3NE4 chain A against the predicted model P01009: TM-score 1.00, RMSD 0.46 Å
- 3NE4 chain A against the predicted model P01009: TM-score 1.00, RMSD 0.46 Å
- 3DRM chain A against the predicted model P01009: TM-score 1.00, RMSD 0.48 Å
- 3DRM chain A against the predicted model P01009: TM-score 1.00, RMSD 0.48 Å
- 6ROD chain A against the predicted model P01009: TM-score 0.99, RMSD 0.51 Å
- 6ROD chain A against the predicted model P01009: TM-score 0.99, RMSD 0.51 Å
- 6I7U chain A against the predicted model P01009: TM-score 0.99, RMSD 0.52 Å
Elsewhere
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