MolNFT v1 · #164328 · protein
Highly thermostable endoglucanase CEL7B
6SU8: “Highly thermostable endoglucanase CEL7B”. X-ray diffraction, 3 ligands (NAG, BMA, NA), 4 pockets (best druggability 0.78). MolNFT v1 #164328 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6SU8
- Type
- protein
- Length
- 1,188 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucanase
- EC
- 3.2.1.-
- UniProt
- W8P1L2
- Ligands
- NAG, BMA, NA
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Glucanase (EC 3.2.1.-) | protein | 396 | 13% helix, 36% strand | W8P1L2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 20 copies · chains A, B, C
- BMA · beta-D-mannopyranose · sugar
- NA · Sodium ion · metal · chains C
- MLI · Malonate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1082 | 0.78 | 0.80 | 99 | empty |
| 2 | 1053 | 0.77 | 0.79 | 98 | empty |
| 3 | 883 | 0.75 | 0.79 | 71 | empty |
| 4 | 251 | 0.66 | 0.83 | 26 | empty |
Interfaces
3 interfaces between chains.
- B–C · 878 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 799 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 789 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 27 disulfide, 15 glycan, 3 modified (disulfide, N-glycosylation, cyclization).
Compared structures
- 6SU8 · Highly thermostable endoglucanase Cel7B · 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 W8P1L2
- Elsewhere: RCSB PDB 6SU8 · PDBe 6SU8 · UniProt W8P1L2
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