MolNFT v1 · #102951 · protein
Crystal structure of wild type hypocrea jecorina CEL7A in a hexagonal crystal form
4P1J · Exoglucanase 1: “Crystal structure of wild type hypocrea jecorina CEL7A in a hexagonal crystal form”. X-ray diffraction, 3 ligands (BGC, NAG, SM), 1 pocket (best druggability 0.83). MolNFT v1 #102951 on GenesisL1: 3D structure…
- PDB
- 4P1J
- Type
- protein
- Length
- 434 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exoglucanase 1
- EC
- 3.2.1.91
- UniProt
- P62694
- Ligands
- BGC, NAG, SM
- Pockets
- 1 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Exoglucanase 1 (EC 3.2.1.91) | protein | 434 | 12% helix, 36% strand | P62694 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- SM · Samarium (III) ion · metal · 5 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 | 1053 | 0.83 | 0.84 | 95 | BGC |
Modifications
Observed in the structure: 10 disulfide, 2 glycan, 1 modified (disulfide, N-glycosylation, cyclization).
Compared structures
- 4P1J · Crystal structure of wild type Hypocrea jecorina Cel7a in a hexagonal crystal form · 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 4P1J · PDBe 4P1J · UniProt P62694
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.