MolNFT v1 · #24530 · protein
Carbohydrate binding module (CBM6CM-2) from cellvibrio mixtus lichenase 5A in complex with glc-1,3-glc-1,4-glc-1,3-glc
1UY0 · Cellulase B: “Carbohydrate binding module (CBM6CM-2) from cellvibrio mixtus lichenase 5A in complex with…”. X-ray diffraction, 4 ligands (BGC, CA, NA), 2 pockets (best druggability 0.35). MolNFT v1 #24530 on GenesisL1: 3D structure…
- PDB
- 1UY0
- Type
- protein
- Length
- 260 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellulase B
- UniProt
- O07653
- Ligands
- BGC, CA, NA, CL
- Pockets
- 2 · best druggability 0.35
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 62% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cellulase B | protein | 130 | 0% helix, 62% strand | O07653 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 6 copies · chains A, B
- CA · Calcium ion · metal · 4 copies · chains A, B
- NA · Sodium ion · metal · 3 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 114 | 0.35 | 0.73 | 21 | GOL |
| 2 | 62 | 0.31 | 0.75 | 19 | BGC |
Interfaces
1 interface between chains.
- A–B · 454 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1UY0 · Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in 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 O07653
- Elsewhere: RCSB PDB 1UY0 · PDBe 1UY0 · UniProt O07653
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