MolNFT v1 · #12406 · protein
Crystal structure of human M-calpain form II
1KFU · M-calpain large subunit: “Crystal structure of human M-calpain form II”. X-ray diffraction, 14 pockets (best druggability 0.71). MolNFT v1 #12406 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1KFU
- Type
- protein
- Length
- 883 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- M-calpain large subunit; M-calpain small subunit
- EC
- 3.4.22.53
- UniProt
- P17655, P04632
- Pockets
- 14 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | M-calpain large subunit (EC 3.4.22.53) | protein | 699 | 27% helix, 18% strand | P17655 |
| S | M-calpain small subunit | protein | 184 | 55% helix, 5% strand | P04632 |
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 501 | 0.71 | 0.81 | 68 | empty |
| 2 | 258 | 0.70 | 0.85 | 50 | empty |
| 3 | 333 | 0.62 | 0.79 | 40 | empty |
| 4 | 275 | 0.59 | 0.79 | 45 | empty |
| 5 | 90 | 0.57 | 0.87 | 25 | empty |
Interfaces
1 interface between chains.
- L–S · 3158 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 1KFU · Crystal Structure of Human m-Calpain Form II · the same entry in another collection · chain L against L, TM-score 1.00
- P17655 · AlphaFold monomer V2.0 prediction for calpain-2 catalytic subunit (P17655) · a predicted model of the same protein · chain L against A, TM-score 0.89
- P04632 · AlphaFold monomer V2.0 prediction for calpain small subunit 1 (P04632) · a predicted model of the same protein · chain S against A, TM-score 0.86
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 P17655
- Every structure of UniProt P04632
- Elsewhere: RCSB PDB 1KFU · PDBe 1KFU · UniProt P17655 · UniProt P04632
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