MolNFT v1 · #137815 · protein
Crystal structure of trichoderma harzianum endoglucanase I
5W0A: “Crystal structure of trichoderma harzianum endoglucanase I”. X-ray diffraction, 2 ligands (NAG, BMA), 5 pockets (best druggability 0.67). MolNFT v1 #137815 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5W0A
- Type
- protein
- Length
- 746 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucanase
- EC
- 3.2.1.-
- UniProt
- A0A0F9XHQ5
- Ligands
- NAG, BMA
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucanase (EC 3.2.1.-) | protein | 373 | 11% helix, 34% strand | A0A0F9XHQ5 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 2 copies
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 459 | 0.67 | 0.79 | 51 | empty |
| 2 | 386 | 0.67 | 0.80 | 41 | empty |
| 3 | 187 | 0.45 | 0.75 | 33 | empty |
| 4 | 163 | 0.44 | 0.75 | 31 | empty |
| 5 | 72 | 0.29 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 626 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 5W0A · Crystal structure of Trichoderma harzianum endoglucanase I · 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 A0A0F9XHQ5
- Elsewhere: RCSB PDB 5W0A · PDBe 5W0A · UniProt A0A0F9XHQ5
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