MolNFT v1 · #71376 · protein
Crystal structure of molybdenum cofactor biosynthesis (AQ_061) from aquifex aeolicus VF5
3MCI · Molybdenum cofactor biosynthesis mog: “Crystal structure of molybdenum cofactor biosynthesis (AQ_061) from aquifex aeolicus VF5”. X-ray diffraction, 5 pockets (best druggability 0.68). MolNFT v1 #71376 on GenesisL1: 3D structure…
- PDB
- 3MCI
- Type
- protein
- Length
- 527 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Molybdenum cofactor biosynthesis mog
- UniProt
- O66472
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Molybdenum cofactor biosynthesis mog | protein | 177 | 44% helix, 19% strand | O66472 |
| B, C | Molybdenum cofactor biosynthesis mog | protein | 175 | 43% helix, 19% strand | O66472 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, C
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 494 | 0.68 | 0.79 | 34 | PEG |
| 2 | 497 | 0.66 | 0.78 | 47 | EDO |
| 3 | 375 | 0.66 | 0.80 | 39 | empty |
| 4 | 79 | 0.64 | 0.91 | 18 | empty |
| 5 | 426 | 0.62 | 0.77 | 43 | EDO |
Interfaces
3 interfaces between chains.
- A–C · 785 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 771 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 721 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3MCI · Crystal structure of molybdenum cofactor biosynthesis (AQ_061) from aquifex aeolicus VF5 · 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 O66472
- Elsewhere: RCSB PDB 3MCI · PDBe 3MCI · UniProt O66472
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.