MolNFT v1 · #166088 · protein
W96Y oxalate decarboxylase (bacillus subtilis)
6UFI · Cupin domain-containing protein: “W96Y oxalate decarboxylase (bacillus subtilis)”. X-ray diffraction, 3 ligands (MN, NA, CL), 2 pockets (best druggability 0.50). MolNFT v1 #166088 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6UFI
- Type
- protein
- Length
- 377 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cupin domain-containing protein
- UniProt
- A0A162QMS4
- Ligands
- MN, NA, CL
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cupin domain-containing protein | protein | 377 | 15% helix, 40% strand | A0A162QMS4 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.50 | 0.80 | 26 | empty |
| 2 | 63 | 0.31 | 0.74 | 11 | empty |
Compared structures
- 6UFI · W96Y Oxalate Decarboxylase (Bacillus subtilis) · 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 A0A162QMS4
- Elsewhere: RCSB PDB 6UFI · PDBe 6UFI · UniProt A0A162QMS4
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