Research workbench
Crystal structure of a corynascus thermopiles (myceliophthora fergusii) carbohydrate esterase family 2 (CE2) enzyme plus carbohydrate binding domain (cbd)
Analyse Crystal structure of a corynascus thermopiles (myceliophthora fergusii)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XVH
- Type
- protein
- Length
- 329 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbohydrate esterase family 2 (CE2)
- Ligands
- PEU
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbohydrate esterase family 2 (CE2) | protein | 329 | 23% helix, 25% strand | — |
Ligands and binding sites
- PEU · 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56, 59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol · ligand · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 249 | 0.50 | 0.75 | 33 | GOL, PEU |
| 2 | 167 | 0.42 | 0.74 | 26 | empty |
| 3 | 118 | 0.41 | 0.76 | 20 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4XVH · Crystal structure of a Corynascus thermopiles (Myceliophthora fergusii) carbohydrate… · 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
- Elsewhere: RCSB PDB 4XVH · PDBe 4XVH
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