MolNFT v1 · #1171 · protein
The intact and cleaved human antithrombin III complex as a model for serpin-proteinase interactions
1ATH: “The intact and cleaved human antithrombin III complex as a model for serpin-proteinase interactions”. X-ray diffraction, 5 pockets (best druggability 0.76). MolNFT v1 #1171 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1ATH
- Type
- protein
- Length
- 751 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antithrombin III
- UniProt
- P01008
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antithrombin III | protein | 389 | 29% helix, 33% strand | P01008 |
| B | Antithrombin III | protein | 362 | 33% helix, 35% strand | P01008 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 515 | 0.76 | 0.84 | 50 | empty |
| 2 | 85 | 0.51 | 0.84 | 13 | empty |
| 3 | 83 | 0.44 | 0.80 | 15 | empty |
| 4 | 79 | 0.39 | 0.78 | 16 | empty |
| 5 | 60 | 0.31 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 990 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 1ATH · The intact and cleaved human antithrombin III complex as a model for serpin-proteinase… · the same entry in another collection · chain A against A, TM-score 1.00
- P01008 · AlphaFold monomer V2.0 prediction for antithrombin-III (P01008) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 P01008
- Elsewhere: RCSB PDB 1ATH · PDBe 1ATH · UniProt P01008
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