MolNFT v1 · #17133 · protein
Anatomy of glycosynthesis: structure and kinetics of the humicola insolens CEL7BE197A and E197S glycosynthase mutants
1OJJ · Endoglucanase I: “Anatomy of glycosynthesis: structure and kinetics of the humicola insolens CEL7BE197A and E197S glycosynthase…”. X-ray diffraction, 4 ligands (GAL, BGC, GLC), 3 pockets (best druggability 0.66). MolNFT v1 #17133 on…
- PDB
- 1OJJ
- Type
- protein
- Length
- 796 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase I
- EC
- 3.2.1.4
- UniProt
- P56680
- Ligands
- GAL, BGC, GLC, NAG
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Endoglucanase I (EC 3.2.1.4) | protein | 398 | 16% helix, 34% strand | P56680 |
Ligands and binding sites
- GAL · beta-D-galactopyranose · sugar · 4 copies · chains A, B
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 499 | 0.66 | 0.78 | 67 | BGC, GAL, GLC |
| 2 | 502 | 0.66 | 0.77 | 62 | BGC, GAL, GLC |
| 3 | 264 | 0.51 | 0.75 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 135 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 2 glycan, 2 modified (disulfide, N-glycosylation, cyclization).
Compared structures
- 1OJJ · Anatomy of glycosynthesis: Structure and kinetics of the Humicola insolens Cel7BE197A and… · the same entry in another collection · chain A against A, TM-score 1.00
- P56680 · AlphaFold monomer V2.0 prediction for endoglucanase 1 (P56680) · 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 P56680
- Elsewhere: RCSB PDB 1OJJ · PDBe 1OJJ · UniProt P56680
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