MolNFT v1 · #107417 · protein
Structure of the METHANOFURAN/METHANOPTERIN biosynthetic enzyme MJ1099 from methanocaldococcus jannaschii
4U9P · UPF0264 protein MJ1099: “Structure of the METHANOFURAN/METHANOPTERIN biosynthetic enzyme MJ1099 from methanocaldococcus jannaschii”. X-ray diffraction, 5 pockets (best druggability 0.56). MolNFT v1 #107417 on GenesisL1: 3D…
- PDB
- 4U9P
- Type
- protein
- Length
- 684 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- UPF0264 protein MJ1099
- UniProt
- Q58499
- Pockets
- 5 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | UPF0264 protein MJ1099 | protein | 228 | 47% helix, 19% strand | Q58499 |
Ligands and binding sites
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 105 | 0.56 | 0.85 | 32 | empty |
| 2 | 127 | 0.49 | 0.80 | 29 | GOL |
| 3 | 111 | 0.48 | 0.80 | 26 | empty |
| 4 | 116 | 0.46 | 0.79 | 26 | empty |
| 5 | 60 | 0.38 | 0.80 | 13 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1116 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 792 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4U9P · Structure of the methanofuran/methanopterin biosynthetic enzyme MJ1099 from… · the same entry in another collection · chain B against B, TM-score 1.00
- Q58499 · AlphaFold monomer V2.0 prediction for (5-formylfuran-3-YL)METHYL phosphate synthase… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q58499
- Elsewhere: RCSB PDB 4U9P · PDBe 4U9P · UniProt Q58499
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