Research workbench
High resolution structure of a novel carbohydrate binding module from glycoside hydrolase family 9 (CEL9A) from ruminococcus flavefaciens fd-1
Analyse High resolution structure of a novel carbohydrate binding module from glycoside… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4V1L
- Type
- protein
- Length
- 393 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbohydrate binding module
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Carbohydrate binding module | protein | 131 | 10% helix, 50% strand | — |
Ligands and binding sites
- P6G · Hexaethylene glycol · additive · 3 copies · chains A, B, C
- GOL · Glycerol · additive · 3 copies · chains A, C, B
- PGE · Triethylene glycol · additive · 2 copies · chains B, C
- PG4 · Tetraethylene glycol · additive · chains C
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 | 350 | 0.55 | 0.75 | 34 | empty |
| 2 | 157 | 0.42 | 0.74 | 21 | P6G |
Interfaces
3 interfaces between chains.
- A–C · 317 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 299 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 291 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4V1L · High resolution structure of a novel carbohydrate binding module from glycoside hydrolase… · 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 4V1L · PDBe 4V1L
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.