MolNFT v1 · #52654 · protein
Establishing wild-type levels of catalytic activity on natural and artificial (BA)8-barrel protein scaffolds
2W79 · 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)…: “Establishing wild-type levels of catalytic activity on natural and artificial (BA)8-barrel protein scaffolds”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.77).…
- PDB
- 2W79
- Type
- protein
- Length
- 480 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino) methylideneamino] imidazole-4-carboxamide…
- EC
- 5.3.1.16
- UniProt
- Q9X0C7
- Ligands
- CL
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino) methylideneamino] imidazole-4-carboxamide isomerase (EC 5.3.1.16) | protein | 241 | 44% helix, 24% strand | Q9X0C7 |
| B | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino) methylideneamino] imidazole-4-carboxamide isomerase (EC 5.3.1.16) | protein | 239 | 44% helix, 25% strand | Q9X0C7 |
Ligands and binding sites
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 554 | 0.77 | 0.84 | 54 | CL |
| 2 | 600 | 0.77 | 0.83 | 53 | empty |
Interfaces
1 interface between chains.
- A–B · 57 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2W79 · Establishing wild-type levels of catalytic activity on natural and artificial… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9X0C7 · AlphaFold monomer V2.0 prediction for 1-(5-phosphoribosyl)-5-[(5-PHOSPHORIBOSYLAMINO)METHY… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q9X0C7
- Elsewhere: RCSB PDB 2W79 · PDBe 2W79 · UniProt Q9X0C7
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