Research workbench
Crystal structure of the A.FULGIDUS cca-adding enzyme in complex with a G70A arginyl-tRNA minihelix and CTP
Analyse Crystal structure of the A.FULGIDUS cca-adding enzyme in complex with a G70A… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4X4O
- Type
- protein + RNA
- Length
- 948 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cca-adding enzyme; G70A tRNA minihelix
- EC
- 2.7.7.72
- UniProt
- O28126
- Ligands
- CTP, MN
- Pockets
- 10 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cca-adding enzyme (EC 2.7.7.72) | protein | 437 | 42% helix, 20% strand | O28126 |
| B, D | G70A tRNA minihelix | rna | 34 | — | — |
| C | Cca-adding enzyme (EC 2.7.7.72) | protein | 443 | 44% helix, 22% strand | O28126 |
Ligands and binding sites
- CTP · Cytidine-5'-triphosphate · ligand · 3 copies · chains A, C, D
- MN · Manganese (II) ion · metal · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 757 | 0.79 | 0.83 | 53 | CTP, MN |
| 2 | 792 | 0.78 | 0.82 | 51 | CTP, MN |
| 3 | 974 | 0.75 | 0.78 | 71 | empty |
| 4 | 952 | 0.73 | 0.77 | 72 | empty |
| 5 | 471 | 0.62 | 0.77 | 32 | empty |
Interfaces
3 interfaces between chains.
- A–C · 2600 Ų buried · 45 hydrogen bonds · protein-protein
- A–B · 1483 Ų buried · 33 hydrogen bonds · protein-nucleic
- C–D · 1433 Ų buried · 32 hydrogen bonds · protein-nucleic
Compared structures
- 4X4O · Crystal structure of the A.fulgidus CCA-adding enzyme in complex with a G70A arginyl-tRNA… · the same entry in another collection · chain A against A, TM-score 1.00
- O28126 · AlphaFold monomer V2.0 prediction for cca-adding enzyme (O28126) · a predicted model of the same protein · chain A 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 O28126
- Elsewhere: RCSB PDB 4X4O · PDBe 4X4O · UniProt O28126
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