MolNFT v1 · #32374 · protein
Catalytic domain of endo-1,4-glucanase CEL6A mutant Y73S from thermobifida fusca in complex with methyl cellobiosyl-4-thio-beta- cellobioside
2BOG · Endoglucanase E-2: “Catalytic domain of endo-1,4-glucanase CEL6A mutant Y73S from thermobifida fusca in complex with methyl…”. X-ray diffraction, 3 ligands (MGL, SGC, BGC), 1 pocket (best druggability 0.52). MolNFT v1 #32374 on…
- PDB
- 2BOG
- Type
- protein
- Length
- 280 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase E-2
- EC
- 3.2.1.4
- UniProt
- P26222
- Ligands
- MGL, SGC, BGC
- Pockets
- 1 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Endoglucanase E-2 (EC 3.2.1.4) | protein | 280 | 39% helix, 13% strand | P26222 |
Ligands and binding sites
- MGL · methyl beta-D-glucopyranoside · ligand · chains X
- SGC · 4-thio-beta-D-glucopyranose · ligand · chains X
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains X
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 | 290 | 0.52 | 0.74 | 36 | MGL, SGC, BGC |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2BOG · Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca in… · the same entry in another collection · chain X against X, TM-score 1.00
- P26222 · AlphaFold monomer V2.0 prediction for endoglucanase E-2 (P26222) · a predicted model of the same protein · chain X 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 P26222
- Elsewhere: RCSB PDB 2BOG · PDBe 2BOG · UniProt P26222
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