MolNFT v1 · #50346 · protein
Structure of a thermophilic ankyrin repeat protein
2RFM · Putative ankyrin repeat protein TV1425: “Structure of a thermophilic ankyrin repeat protein”. X-ray diffraction, 2 ligands (SO4, CL), 2 pockets (best druggability 0.74). MolNFT v1 #50346 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2RFM
- Type
- protein
- Length
- 367 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative ankyrin repeat protein TV1425
- UniProt
- Q978J0
- Ligands
- SO4, CL
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative ankyrin repeat protein TV1425 | protein | 183 | 57% helix, 1% strand | Q978J0 |
| B | Putative ankyrin repeat protein TV1425 | protein | 184 | 54% helix, 0% strand | Q978J0 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains B
- GOL · Glycerol · additive · 6 copies · chains A, B
- BU2 · 1,3-butanediol · additive · 4 copies · chains A, B
- 144 · Tris-hydroxymethyl-methyl-ammonium · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 826 | 0.74 | 0.78 | 62 | BU2, GOL |
| 2 | 90 | 0.35 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 677 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2RFM · Structure of a Thermophilic Ankyrin Repeat Protein · the same entry in another collection · chain A against A, TM-score 1.00
- Q978J0 · AlphaFold monomer V2.0 prediction for putative ankyrin repeat protein TV1425 (Q978J0) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q978J0
- Elsewhere: RCSB PDB 2RFM · PDBe 2RFM · UniProt Q978J0
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