Research workbench
E134C-cellobiose co-crystal of cellulase 12A from thermotoga maritima
Analyse E134C-cellobiose co-crystal 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
- 3AMQ
- Type
- protein
- Length
- 1,025 residues
- Chains
- 4
- 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, GLC
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-1,4-beta-glucanase (EC 3.2.1.4) | protein | 257 | 9% helix, 58% strand | Q60032 |
| B, C, D | Endo-1,4-beta-glucanase (EC 3.2.1.4) | protein | 256 | 9% helix, 59% strand | Q60032 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 7 copies · chains A, B, C, D
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 655 | 0.71 | 0.78 | 71 | GLC, BGC |
| 2 | 320 | 0.67 | 0.82 | 45 | GLC, BGC |
| 3 | 211 | 0.65 | 0.83 | 26 | GLC, BGC |
| 4 | 213 | 0.64 | 0.83 | 31 | GLC, BGC |
| 5 | 72 | 0.52 | 0.86 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–D · 684 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 602 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 473 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3AMQ · E134C-Cellobiose co-crystal 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 3AMQ · PDBe 3AMQ · UniProt Q60032
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