MolNFT v1 · #47437 · protein
Endo-glycoceramidase II from rhodococcus sp.: cellobiose-like isofagomine complex
2OYK · Endoglycoceramidase II: “Endo-glycoceramidase II from rhodococcus sp.: cellobiose-like isofagomine complex”. X-ray diffraction, 2 ligands (9MR, NA), 11 pockets (best druggability 0.63). MolNFT v1 #47437 on GenesisL1: 3D structure…
- PDB
- 2OYK
- Type
- protein
- Length
- 879 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglycoceramidase II
- EC
- 3.2.1.123
- UniProt
- O33853
- Ligands
- 9MR, NA
- Pockets
- 11 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglycoceramidase II (EC 3.2.1.123) | protein | 434 | 32% helix, 21% strand | O33853 |
| B | Endoglycoceramidase II (EC 3.2.1.123) | protein | 445 | 32% helix, 21% strand | O33853 |
Ligands and binding sites
- 9MR · (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside · sugar · 2 copies · chains A, B
- NA · Sodium ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 146 | 0.63 | 0.86 | 20 | empty |
| 2 | 150 | 0.63 | 0.85 | 19 | empty |
| 3 | 311 | 0.62 | 0.79 | 35 | 9MR |
| 4 | 308 | 0.60 | 0.78 | 36 | 9MR, GOL |
| 5 | 497 | 0.59 | 0.74 | 43 | empty |
Interfaces
1 interface between chains.
- A–B · 394 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2OYK · Endo-glycoceramidase II from Rhodococcus sp.: cellobiose-like isofagomine complex · 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 O33853
- Elsewhere: RCSB PDB 2OYK · PDBe 2OYK · UniProt O33853
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