MolNFT v1 · #67855 · protein
Structure of hypothetical molybdenum cofactor biosynthesis protein B from sulfolobus tokodaii
3IWT · 178AA long hypothetical molybdenum cofactor biosynthesis…: “Structure of hypothetical molybdenum cofactor biosynthesis protein B from sulfolobus tokodaii”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.56). MolNFT…
- PDB
- 3IWT
- Type
- protein
- Length
- 498 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 178AA long hypothetical molybdenum cofactor biosynthesis protein B
- UniProt
- Q96Y52
- Ligands
- MG
- Pockets
- 4 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | 178AA long hypothetical molybdenum cofactor biosynthesis protein B | protein | 166 | 49% helix, 20% strand | Q96Y52 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 8 copies · chains A, B, C
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.56 | 0.77 | 22 | empty |
| 2 | 250 | 0.52 | 0.75 | 37 | GOL |
| 3 | 243 | 0.50 | 0.75 | 37 | GOL |
| 4 | 221 | 0.50 | 0.76 | 37 | empty |
Interfaces
3 interfaces between chains.
- A–B · 821 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 821 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 817 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3IWT · Structure of hypothetical molybdenum cofactor biosynthesis protein B from Sulfolobus… · 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 Q96Y52
- Elsewhere: RCSB PDB 3IWT · PDBe 3IWT · UniProt Q96Y52
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