MolNFT v1 · #115493 · protein
Structure of pure (N5-carboxyaminoimidazole ribonucleotide mutase) H59N from the acidophilic bacterium acetobacter aceti, complexed with air (5-aminoimidazole ribonucleotide) and CO2
5CLJ: “Structure of pure (N5-carboxyaminoimidazole ribonucleotide mutase) H59N from the acidophilic bacterium…”. X-ray diffraction, 2 ligands (AIR, CO2), 1 pocket (best druggability 0.30). MolNFT v1 #115493 on GenesisL1: 3D structure…
- PDB
- 5CLJ
- 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
- AIR, CO2
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | N5-carboxyaminoimidazole ribonucleotide mutase (EC 5.4.99.18) | protein | 160 | 46% helix, 14% strand | A0A063X4U8 |
Ligands and binding sites
- AIR · 5-aminoimidazole ribonucleotide · ligand · chains A
- CO2 · Carbon dioxide · ion · chains A
- CIT · Citric acid · additive · chains B
- EDO · 1,2-ethanediol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.30 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1702 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 5CLJ · Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59N from the… · 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 5CLJ · PDBe 5CLJ · UniProt A0A063X4U8
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