Research workbench
Crystal structure analysis of rat M-calpain mutant LYS10 thr
Analyse Crystal structure analysis of rat M-calpain mutant LYS10 thr in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1U5I
- Type
- protein
- Length
- 801 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calpain 2, large [catalytic] subunit precursor; Calpain small subunit 1
- EC
- 3.4.22.53
- UniProt
- Q07009, Q64537
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calpain 2, large [catalytic] subunit precursor (EC 3.4.22.53) | protein | 625 | 33% helix, 23% strand | Q07009 |
| B | Calpain small subunit 1 | protein | 176 | 57% helix, 7% strand | Q64537 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 535 | 0.72 | 0.81 | 60 | empty |
| 2 | 1160 | 0.72 | 0.76 | 103 | empty |
| 3 | 562 | 0.69 | 0.78 | 74 | empty |
| 4 | 275 | 0.66 | 0.82 | 41 | empty |
| 5 | 50 | 0.51 | 0.87 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 2825 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 1U5I · Crystal Structure analysis of rat m-calpain mutant Lys10 Thr · the same entry in another collection · chain A against A, TM-score 1.00
- Q07009 · AlphaFold monomer V2.0 prediction for calpain-2 catalytic subunit (Q07009) · a predicted model of the same protein · chain A against A, TM-score 0.94
- Q64537 · AlphaFold monomer V2.0 prediction for calpain small subunit 1 (Q64537) · a predicted model of the same protein · chain B against A, TM-score 0.88
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 Q07009
- Every structure of UniProt Q64537
- Elsewhere: RCSB PDB 1U5I · PDBe 1U5I · UniProt Q07009 · UniProt Q64537
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