MolNFT v1 · #57690 · protein
Crystal structure of cellvibrio gilvus cellobiose phosphorylase triple mutant
3AFJ: “Crystal structure of cellvibrio gilvus cellobiose phosphorylase triple mutant”. X-ray diffraction, 3 ligands (BGC, K, PO4), 13 pockets (best druggability 0.81). MolNFT v1 #57690 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3AFJ
- Type
- protein
- Length
- 1,644 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellobiose phosphorylase
- EC
- 2.4.1.20
- UniProt
- O66264
- Ligands
- BGC, K, PO4
- Pockets
- 13 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cellobiose phosphorylase (EC 2.4.1.20) | protein | 822 | 30% helix, 28% strand | O66264 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 988 | 0.81 | 0.82 | 104 | BGC, PO4, K |
| 2 | 134 | 0.78 | 0.96 | 22 | empty |
| 3 | 231 | 0.71 | 0.86 | 40 | empty |
| 4 | 206 | 0.71 | 0.87 | 37 | empty |
| 5 | 311 | 0.69 | 0.83 | 39 | empty |
Interfaces
1 interface between chains.
- A–B · 3461 Ų buried · 60 hydrogen bonds · protein-protein
Compared structures
- 3AFJ · Crystal Structure of Cellvibrio gilvus Cellobiose Phosphorylase triple mutant · the same entry in another collection · chain B against B, 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 O66264
- Elsewhere: RCSB PDB 3AFJ · PDBe 3AFJ · UniProt O66264
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