MolNFT v1 · #114416 · protein
Structure of acetobacter aceti pure-S57C, partly oxidized form
5BOS · N5-carboxyaminoimidazole ribonucleotide mutase: “Structure of acetobacter aceti pure-S57C, partly oxidized form”. X-ray diffraction, 2 ligands (CL, SO4), 2 pockets (best druggability 0.30). MolNFT v1 #114416 on GenesisL1: 3D…
- PDB
- 5BOS
- Type
- protein
- Length
- 321 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N5-carboxyaminoimidazole ribonucleotide mutase
- EC
- 5.4.99.18
- UniProt
- A0A063X4U8
- Ligands
- CL, SO4
- Pockets
- 2 · best druggability 0.30
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N5-carboxyaminoimidazole ribonucleotide mutase (EC 5.4.99.18) | protein | 160 | 46% helix, 16% strand | A0A063X4U8 |
| B | N5-carboxyaminoimidazole ribonucleotide mutase (EC 5.4.99.18) | protein | 161 | 45% helix, 16% strand | A0A063X4U8 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
- SO4 · Sulfate ion · ion · chains B
- ACT · Acetate ion · additive · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 56 | 0.30 | 0.75 | 14 | empty |
| 2 | 52 | 0.28 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1713 Ų buried · 31 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 5BOS · Structure of Acetobacter aceti PurE-S57C, partly oxidized form · 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 A0A063X4U8
- Elsewhere: RCSB PDB 5BOS · PDBe 5BOS · UniProt A0A063X4U8
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