MolNFT v1 · #169001 · protein
De novo tim barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre tfd-he
6WXO: “De novo tim barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre tfd-he”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.78). MolNFT v1 #169001 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6WXO
- Type
- protein
- Length
- 352 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tfd-he
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tfd-he | protein | 172 | 46% helix, 25% strand | — |
| B | Tfd-he | protein | 180 | 43% helix, 26% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 665 | 0.78 | 0.84 | 86 | empty |
| 2 | 57 | 0.49 | 0.86 | 20 | empty |
| 3 | 52 | 0.32 | 0.77 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 2525 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
- 6WXO · De novo TIM barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre… · 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
- Elsewhere: RCSB PDB 6WXO · PDBe 6WXO
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