Research workbench
Y61G mutant of cellulase 12A from thermotoga maritima
Analyse Y61G mutant of cellulase 12A from thermotoga maritima in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3VHN
- Type
- protein
- Length
- 2,044 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-1,4-beta-glucanase
- EC
- 3.2.1.4
- UniProt
- Q60032
- Ligands
- BGC
- Pockets
- 14 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, F, H | Endo-1,4-beta-glucanase (EC 3.2.1.4) | protein | 255 | 9% helix, 58% strand | Q60032 |
| B, C, E, G | Endo-1,4-beta-glucanase (EC 3.2.1.4) | protein | 256 | 9% helix, 58% strand | Q60032 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 16 copies · chains A, D, B, C, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 488 | 0.71 | 0.81 | 69 | BGC |
| 2 | 360 | 0.66 | 0.81 | 44 | empty |
| 3 | 224 | 0.64 | 0.82 | 32 | BGC |
| 4 | 168 | 0.62 | 0.84 | 30 | BGC |
| 5 | 202 | 0.61 | 0.82 | 33 | BGC |
Interfaces
8 interfaces between chains.
- A–D · 649 Ų buried · 8 hydrogen bonds · protein-protein
- D–H · 579 Ų buried · 4 hydrogen bonds · protein-protein
- C–F · 557 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 356 Ų buried · 7 hydrogen bonds · protein-protein
- A–G · 336 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3VHN · Y61G mutant of Cellulase 12A from thermotoga maritima · 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 Q60032
- Elsewhere: RCSB PDB 3VHN · PDBe 3VHN · UniProt Q60032
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