MolNFT v1 · #114415 · protein
Structure of acetobacter aceti pure-S57C, sulfonate form
5BOR · N5-carboxyaminoimidazole ribonucleotide mutase: “Structure of acetobacter aceti pure-S57C, sulfonate form”. X-ray diffraction, 2 ligands (CL, SO4), 2 pockets (best druggability 0.36). MolNFT v1 #114415 on GenesisL1: 3D structure…
- PDB
- 5BOR
- Type
- protein
- Length
- 320 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 0.36
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | N5-carboxyaminoimidazole ribonucleotide mutase (EC 5.4.99.18) | protein | 160 | 47% helix, 14% 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 | 96 | 0.36 | 0.75 | 25 | empty |
| 2 | 58 | 0.29 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1692 Ų buried · 29 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 5BOR · Structure of Acetobacter aceti PurE-S57C, sulfonate 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 5BOR · PDBe 5BOR · UniProt A0A063X4U8
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