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Crystal structures of thermotoga maritima CEL5A in complex with cellobiose substrate, mutant form
Analyse Crystal structures of thermotoga maritima CEL5A in complex with cellobiose… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AMG
- Type
- protein
- Length
- 602 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
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase (EC 3.2.1.4) | protein | 311 | 41% helix, 14% strand | Q9X273 |
| B | Endoglucanase (EC 3.2.1.4) | protein | 291 | 37% helix, 14% strand | Q9X273 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 3 copies · chains B, A
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 | 1010 | 0.81 | 0.83 | 91 | BGC |
| 2 | 76 | 0.48 | 0.82 | 14 | empty |
| 3 | 121 | 0.47 | 0.79 | 15 | empty |
| 4 | 81 | 0.34 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 684 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3AMG · Crystal structures of Thermotoga maritima Cel5A in complex with Cellobiose substrate… · 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 3AMG · PDBe 3AMG · UniProt Q9X273
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