MolNFT v1 · #107273 · protein
Complex structure of mutant CTCEL5E (E314A) with xylobiose
4U5I · Endoglucanase H: “Complex structure of mutant CTCEL5E (E314A) with xylobiose”. X-ray diffraction, 1 ligand (XYP), 4 pockets (best druggability 0.60). MolNFT v1 #107273 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4U5I
- Type
- protein
- Length
- 591 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase H
- EC
- 3.2.1.4
- UniProt
- P16218
- Ligands
- XYP
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase H (EC 3.2.1.4) | protein | 295 | 41% helix, 18% strand | P16218 |
| B | Endoglucanase H (EC 3.2.1.4) | protein | 296 | 42% helix, 19% strand | P16218 |
Ligands and binding sites
- XYP · beta-D-xylopyranose · sugar · 4 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 143 | 0.60 | 0.84 | 24 | empty |
| 2 | 244 | 0.51 | 0.75 | 31 | XYP |
| 3 | 83 | 0.39 | 0.77 | 17 | XYP |
| 4 | 63 | 0.32 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1453 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
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 P16218
- Elsewhere: RCSB PDB 4U5I · PDBe 4U5I · UniProt P16218
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