MolNFT v1 · #94742 · protein
Crystal structure of a fungal chimeric cellobiohydrolase CEL6A
4I5R · Chimeric CEL6A: “Crystal structure of a fungal chimeric cellobiohydrolase CEL6A”. X-ray diffraction, 1 pocket (best druggability 0.75). MolNFT v1 #94742 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4I5R
- Type
- protein
- Length
- 364 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chimeric CEL6A
- UniProt
- Q9C1S9, P07987, Q5G2D4
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chimeric CEL6A | protein | 364 | 38% helix, 13% strand | Q9C1S9, P07987, Q5G2D4 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 5 copies · chains A
- PGE · Triethylene glycol · additive · chains A
- PG4 · Tetraethylene glycol · additive · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 427 | 0.75 | 0.85 | 55 | EDO |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4I5R · Crystal structure of a fungal chimeric cellobiohydrolase Cel6A · the same entry in another collection · chain A against A, TM-score 1.00
- Q9C1S9 · AlphaFold monomer V2.0 prediction for exoglucanase-6A (Q9C1S9) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P07987 · AlphaFold monomer V2.0 prediction for exoglucanase 2 (P07987) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9C1S9
- Every structure of UniProt P07987
- Every structure of UniProt Q5G2D4
- Elsewhere: RCSB PDB 4I5R · PDBe 4I5R · UniProt Q9C1S9 · UniProt P07987 · UniProt Q5G2D4
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