MolNFT v1 · #120821 · protein
T. cruzi calreticulin globular domain
5HCF · Calreticulin, PUTATIVE,CALRETICULIN, putative: “T. cruzi calreticulin globular domain”. X-ray diffraction, 2 ligands (BGC, CL), 15 pockets (best druggability 0.71). MolNFT v1 #120821 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5HCF
- Type
- protein
- Length
- 1,575 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calreticulin, PUTATIVE,CALRETICULIN, putative
- UniProt
- Q4CPZ0
- Ligands
- BGC, CL
- Pockets
- 15 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 12% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calreticulin, PUTATIVE,CALRETICULIN, putative | protein | 261 | 12% helix, 41% strand | Q4CPZ0 |
| B, E | Calreticulin, PUTATIVE,CALRETICULIN, putative | protein | 263 | 13% helix, 40% strand | Q4CPZ0 |
| C, F | Calreticulin, PUTATIVE,CALRETICULIN, putative | protein | 262 | 11% helix, 40% strand | Q4CPZ0 |
| D | Calreticulin, PUTATIVE,CALRETICULIN, putative | protein | 264 | 13% helix, 39% strand | Q4CPZ0 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains B, F
- CL · Chloride ion · ion · 2 copies · chains A, C
- ACY · Acetic acid · additive · 5 copies · chains A, C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 780 | 0.71 | 0.77 | 103 | BGC, ACY |
| 2 | 51 | 0.68 | 0.97 | 24 | empty |
| 3 | 52 | 0.68 | 0.97 | 24 | empty |
| 4 | 388 | 0.62 | 0.78 | 60 | empty |
| 5 | 379 | 0.62 | 0.78 | 37 | empty |
Interfaces
12 interfaces between chains.
- A–B · 532 Ų buried · 6 hydrogen bonds · protein-protein
- D–E · 514 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 298 Ų buried · 2 hydrogen bonds · protein-protein
- A–E · 294 Ų buried · 2 hydrogen bonds · protein-protein
- B–F · 238 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 5HCF · T. cruzi calreticulin globular domain · the same entry in another collection · chain A against A, TM-score 1.00
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 Q4CPZ0
- Elsewhere: RCSB PDB 5HCF · PDBe 5HCF · UniProt Q4CPZ0
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