MolNFT v1 · #186921 · protein
Structure of human ATP:COBALAMIN adenosyltransferase R190C bound to adenosylcobalamin
7RUU · Corrinoid adenosyltransferase: “Structure of human ATP:COBALAMIN adenosyltransferase R190C bound to adenosylcobalamin”. X-ray diffraction, 3 ligands (5AD, B12, K), 4 pockets (best druggability 0.58). MolNFT v1 #186921 on GenesisL1…
- PDB
- 7RUU
- Type
- protein
- Length
- 593 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Corrinoid adenosyltransferase
- EC
- 2.5.1.17
- UniProt
- Q96EY8
- Ligands
- 5AD, B12, K
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 4 distinct chains · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Corrinoid adenosyltransferase (EC 2.5.1.17) | protein | 152 | 72% helix, 0% strand | Q96EY8 |
| B | Corrinoid adenosyltransferase (EC 2.5.1.17) | protein | 148 | 72% helix, 0% strand | Q96EY8 |
| C | Corrinoid adenosyltransferase (EC 2.5.1.17) | protein | 148 | 73% helix, 0% strand | Q96EY8 |
| D | Corrinoid adenosyltransferase (EC 2.5.1.17) | protein | 145 | 70% helix, 0% strand | Q96EY8 |
Ligands and binding sites
- 5AD · 5'-deoxyadenosine · ligand · 4 copies · chains A, C, B, D
- B12 · Cobalamin · ligand · 4 copies · chains A, C, B, D
- K · Potassium ion · metal · 3 copies · chains A, C, D
- ACT · Acetate ion · additive · 5 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 276 | 0.58 | 0.78 | 28 | 5AD |
| 2 | 101 | 0.43 | 0.77 | 19 | empty |
| 3 | 142 | 0.41 | 0.74 | 16 | empty |
| 4 | 152 | 0.40 | 0.73 | 15 | empty |
Interfaces
3 interfaces between chains.
- C–D · 974 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 55 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 28 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7RUU · Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to adenosylcobalamin · the same entry in another collection · chain D against D, TM-score 1.00
- Q96EY8 · AlphaFold monomer V2.0 prediction for corrinoid adenosyltransferase (Q96EY8) · a predicted model of the same protein · chain B 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 Q96EY8
- Elsewhere: RCSB PDB 7RUU · PDBe 7RUU · UniProt Q96EY8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.