MolNFT v1 · #169973 · protein
GH5-4 broad specificity endoglucanase from an uncultured bacterium
6XSO · Cellulase: “GH5-4 broad specificity endoglucanase from an uncultured bacterium”. X-ray diffraction, 2 ligands (LMR, NA), 5 pockets (best druggability 0.60). MolNFT v1 #169973 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6XSO
- Type
- protein
- Length
- 744 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellulase
- UniProt
- H2BCH8
- Ligands
- LMR, NA
- Pockets
- 5 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cellulase | protein | 373 | 43% helix, 11% strand | H2BCH8 |
| B | Cellulase | protein | 371 | 43% helix, 12% strand | H2BCH8 |
Ligands and binding sites
- LMR · (2S)-2-hydroxybutanedioic acid · ligand · chains A
- NA · Sodium ion · metal · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 414 | 0.60 | 0.76 | 41 | empty |
| 2 | 401 | 0.59 | 0.75 | 45 | empty |
| 3 | 369 | 0.56 | 0.75 | 39 | NA |
| 4 | 78 | 0.36 | 0.76 | 19 | empty |
| 5 | 64 | 0.35 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 80 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6XSO · GH5-4 broad specificity endoglucanase from an uncultured bacterium · 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 H2BCH8
- Elsewhere: RCSB PDB 6XSO · PDBe 6XSO · UniProt H2BCH8
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