MolNFT v1 · #28022 · protein
Crystal structure of calcium and integrin binding protein
1Y1A · Calcium and integrin binding 1 (calmyrin): “Crystal structure of calcium and integrin binding protein”. X-ray diffraction, 2 ligands (GSH, CA), 6 pockets (best druggability 0.61). MolNFT v1 #28022 on GenesisL1: 3D structure, binding…
- PDB
- 1Y1A
- Type
- protein
- Length
- 366 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium and integrin binding 1 (calmyrin)
- UniProt
- Q99828
- Ligands
- GSH, CA
- Pockets
- 6 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Calcium and integrin binding 1 (calmyrin) | protein | 183 | 54% helix, 3% strand | Q99828 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 392 | 0.61 | 0.77 | 71 | CA |
| 2 | 156 | 0.48 | 0.77 | 24 | empty |
| 3 | 116 | 0.45 | 0.78 | 15 | empty |
| 4 | 102 | 0.44 | 0.78 | 15 | empty |
| 5 | 109 | 0.43 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1353 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 1Y1A · Crystal structure of calcium and integrin binding protein · the same entry in another collection · chain A against A, TM-score 1.00
- Q99828 · AlphaFold monomer V2.0 prediction for calcium and integrin-binding protein 1 (Q99828) · a predicted model of the same protein · chain A against A, TM-score 0.47
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 Q99828
- Elsewhere: RCSB PDB 1Y1A · PDBe 1Y1A · UniProt Q99828
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