MolNFT v1 · #58318 · protein
Diverse substrates recognition mechanism revealed by thermotoga maritima CEL5A structures in complex with cellotetraose
3AZT · Endoglucanase: “Diverse substrates recognition mechanism revealed by thermotoga maritima CEL5A structures in complex with…”. X-ray diffraction, 2 ligands (BGC, GLC), 12 pockets (best druggability 0.80). MolNFT v1 #58318 on…
- PDB
- 3AZT
- Type
- protein
- Length
- 1,238 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase
- EC
- 3.2.1.4
- UniProt
- Q9X273
- Ligands
- BGC, GLC
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Endoglucanase (EC 3.2.1.4) | protein | 311 | 43% helix, 14% strand | Q9X273 |
| B, C | Endoglucanase (EC 3.2.1.4) | protein | 308 | 44% helix, 14% strand | Q9X273 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 6 copies · chains A, C, D
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 924 | 0.80 | 0.82 | 89 | GLC, BGC |
| 2 | 432 | 0.63 | 0.77 | 50 | empty |
| 3 | 293 | 0.60 | 0.78 | 34 | empty |
| 4 | 296 | 0.60 | 0.78 | 34 | GLC, BGC |
| 5 | 297 | 0.57 | 0.77 | 40 | empty |
Interfaces
4 interfaces between chains.
- A–C · 780 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 523 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 308 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 238 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3AZT · Diverse Substrates Recognition Mechanism Revealed by Thermotoga maritima Cel5A Structures… · 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 Q9X273
- Elsewhere: RCSB PDB 3AZT · PDBe 3AZT · UniProt Q9X273
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