MolNFT v1 · #18865 · protein
Cellobiohydrolase CEL7A with disulphide bridge added across exo-loop by mutations D241C and D249C
1Q2B · Exocellobiohydrolase I: “Cellobiohydrolase CEL7A with disulphide bridge added across exo-loop by mutations D241C and D249C”. X-ray diffraction, 2 ligands (NAG, CO), 1 pocket (best druggability 0.83). MolNFT v1 #18865 on GenesisL1…
- PDB
- 1Q2B
- Type
- protein
- Length
- 434 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exocellobiohydrolase I
- EC
- 3.2.1.91
- UniProt
- P62694
- Ligands
- NAG, CO
- Pockets
- 1 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Exocellobiohydrolase I (EC 3.2.1.91) | protein | 434 | 12% helix, 37% strand | P62694 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- CO · Cobalt (II) ion · metal · 2 copies · 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 | 897 | 0.83 | 0.85 | 83 | empty |
Modifications
Observed in the structure: 11 disulfide, 1 glycan, 1 modified (disulfide, N-glycosylation, cyclization).
Compared structures
- 1Q2B · Cellobiohydrolase CEL7A with disulphide bridge added across exo-loop by mutations D241C… · the same entry in another collection · chain A against A, TM-score 1.00
- P62694 · AlphaFold monomer V2.0 prediction for exoglucanase 1 (P62694) · a predicted model of the same protein · 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 P62694
- Elsewhere: RCSB PDB 1Q2B · PDBe 1Q2B · UniProt P62694
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