MolNFT v1 · #80270 · protein
Crystal structure of recombinant rabbit skeletal calsequestrin
3TRP · Calsequestrin-1: “Crystal structure of recombinant rabbit skeletal calsequestrin”. X-ray diffraction, 2 ligands (CA, NA), 9 pockets (best druggability 0.67). MolNFT v1 #80270 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3TRP
- Type
- protein
- Length
- 353 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calsequestrin-1
- UniProt
- P07221
- Ligands
- CA, NA
- Pockets
- 9 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calsequestrin-1 | protein | 353 | 39% helix, 19% strand | P07221 |
Ligands and binding sites
- CA · Calcium ion · metal · 6 copies · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- MRD · (4R)-2-methylpentane-2,4-diol · additive · 3 copies · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.67 | 0.90 | 19 | empty |
| 2 | 104 | 0.48 | 0.79 | 15 | MRD |
| 3 | 177 | 0.46 | 0.75 | 28 | MRD, MPD |
| 4 | 77 | 0.35 | 0.76 | 17 | NA |
| 5 | 75 | 0.33 | 0.75 | 19 | empty |
Compared structures
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 P07221
- Elsewhere: RCSB PDB 3TRP · PDBe 3TRP · UniProt P07221
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