MolNFT v1 · #12200 · protein
Crystal structure of michaelis serpin-trypsin complex
1K9O · Alaserpin: “Crystal structure of michaelis serpin-trypsin complex”. X-ray diffraction, 3 pockets (best druggability 0.72). MolNFT v1 #12200 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1K9O
- Type
- protein
- Length
- 599 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alaserpin; Trypsin II anionic
- EC
- 3.4.21.4
- UniProt
- P14754, P00763
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 19% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| I | Alaserpin | protein | 376 | 24% helix, 32% strand | P14754 |
| E | Trypsin II anionic (EC 3.4.21.4) | protein | 223 | 10% helix, 36% strand | P00763 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 290 | 0.72 | 0.85 | 43 | empty |
| 2 | 388 | 0.63 | 0.78 | 38 | empty |
| 3 | 63 | 0.49 | 0.84 | 16 | empty |
Interfaces
1 interface between chains.
- I–E · 934 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1K9O · Crystal structure of michaelis serpin-trypsin complex · the same entry in another collection · chain I against I, TM-score 1.00
- P00763 · AlphaFold monomer V2.0 prediction for anionic trypsin-2 (P00763) · a predicted model of the same protein · chain E against A, TM-score 0.99
- P14754 · AlphaFold monomer V2.0 prediction for alaserpin (P14754) · a predicted model of the same protein · chain I against A, TM-score 0.98
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 P14754
- Every structure of UniProt P00763
- Elsewhere: RCSB PDB 1K9O · PDBe 1K9O · UniProt P14754 · UniProt P00763
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