Research workbench
Inactivated mutant (D140A) of hyperthermophilic GH6 cellobiohydrolase II (HMCEL6A) in complex with hexasaccharide
Analyse Inactivated mutant (D140A) of hyperthermophilic GH6 cellobiohydrolase II… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6K55
- Type
- protein
- Length
- 1,284 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucanase
- EC
- 3.2.1.-
- Ligands
- BGC, MG
- Pockets
- 11 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Glucanase (EC 3.2.1.-) | protein | 428 | 34% helix, 13% strand | — |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 21 copies · chains A, B, C
- MG · Magnesium ion · metal · 6 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 690 | 0.80 | 0.85 | 69 | BGC |
| 2 | 699 | 0.80 | 0.84 | 78 | MG |
| 3 | 701 | 0.80 | 0.84 | 64 | BGC |
| 4 | 666 | 0.79 | 0.84 | 64 | BGC |
| 5 | 455 | 0.70 | 0.81 | 52 | empty |
Interfaces
2 interfaces between chains.
- A–C · 937 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 586 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide, 3 glycan (disulfide, glycation).
Compared structures
- 6K55 · Inactivated mutant (D140A) of Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in… · 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 6K55 · PDBe 6K55
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