MolNFT v1 · #74269 · protein
Crystal structure of N5-carboxyaminoimidazole ribonucleotide mutase from staphylococcus aureus
3ORS: “Crystal structure of N5-carboxyaminoimidazole ribonucleotide mutase from staphylococcus aureus”. X-ray diffraction, 1 ligand (SO4), 16 pockets (best druggability 0.87). MolNFT v1 #74269 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3ORS
- Type
- protein
- Length
- 1,286 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N5-carboxyaminoimidazole ribonucleotide mutase
- EC
- 5.4.99.18
- UniProt
- A6QFS3
- Ligands
- SO4
- Pockets
- 16 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, F, G | N5-carboxyaminoimidazole ribonucleotide mutase (EC 5.4.99.18) | protein | 161 | 50% helix, 16% strand | A6QFS3 |
| E, H | N5-carboxyaminoimidazole ribonucleotide mutase (EC 5.4.99.18) | protein | 160 | 50% helix, 16% strand | A6QFS3 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 18 copies · chains A, F, C, G, B, D, H, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 870 | 0.87 | 0.88 | 55 | empty |
| 2 | 693 | 0.73 | 0.79 | 80 | SO4 |
| 3 | 358 | 0.67 | 0.81 | 44 | SO4 |
| 4 | 399 | 0.66 | 0.80 | 43 | SO4 |
| 5 | 356 | 0.63 | 0.79 | 39 | SO4 |
Interfaces
16 interfaces between chains.
- D–E · 1820 Ų buried · 37 hydrogen bonds · protein-protein
- A–H · 1761 Ų buried · 38 hydrogen bonds · protein-protein
- B–C · 1754 Ų buried · 39 hydrogen bonds · protein-protein
- F–G · 1731 Ų buried · 36 hydrogen bonds · protein-protein
- C–H · 1059 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 3ORS · Crystal Structure of N5-Carboxyaminoimidazole Ribonucleotide Mutase from Staphylococcus… · 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 A6QFS3
- Elsewhere: RCSB PDB 3ORS · PDBe 3ORS · UniProt A6QFS3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.