MolNFT v1 · #58316 · protein
Diverse substrates recognition mechanism revealed by thermotoga maritima CEL5A structures in complex with cellobiose
3AZR · Endoglucanase: “Diverse substrates recognition mechanism revealed by thermotoga maritima CEL5A structures in complex with…”. X-ray diffraction, 2 ligands (BGC, GLC), 4 pockets (best druggability 0.81). MolNFT v1 #58316 on GenesisL1…
- PDB
- 3AZR
- Type
- protein
- Length
- 619 residues
- Chains
- 2
- 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
- 4 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase (EC 3.2.1.4) | protein | 311 | 43% helix, 14% strand | Q9X273 |
| B | Endoglucanase (EC 3.2.1.4) | protein | 308 | 44% helix, 14% strand | Q9X273 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 4 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1001 | 0.81 | 0.82 | 94 | GLC, BGC |
| 2 | 99 | 0.42 | 0.77 | 15 | empty |
| 3 | 91 | 0.34 | 0.74 | 19 | empty |
| 4 | 50 | 0.26 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 881 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 3AZR · 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 3AZR · PDBe 3AZR · UniProt Q9X273
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