MolNFT v1 · #76866 · protein
Structure of the bacterial cellulose synthase subunit Z in complex with cellopentaose
3QXQ · Endoglucanase: “Structure of the bacterial cellulose synthase subunit Z in complex with cellopentaose”. X-ray diffraction, 1 ligand (BGC), 13 pockets (best druggability 0.59). MolNFT v1 #76866 on GenesisL1: 3D structure, binding…
- PDB
- 3QXQ
- Type
- protein
- Length
- 1,352 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase
- EC
- 3.2.1.4
- UniProt
- P37651
- Ligands
- BGC
- Pockets
- 13 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Endoglucanase (EC 3.2.1.4) | protein | 338 | 48% helix, 15% strand | P37651 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 20 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 357 | 0.59 | 0.76 | 37 | empty |
| 2 | 364 | 0.59 | 0.76 | 41 | empty |
| 3 | 238 | 0.57 | 0.79 | 28 | empty |
| 4 | 209 | 0.55 | 0.78 | 27 | empty |
| 5 | 207 | 0.52 | 0.77 | 22 | empty |
Interfaces
4 interfaces between chains.
- C–D · 908 Ų buried · 31 hydrogen bonds · protein-protein
- A–B · 847 Ų buried · 30 hydrogen bonds · protein-protein
- B–D · 671 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 632 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3QXQ · Structure of the bacterial cellulose synthase subunit Z in complex with cellopentaose · the same entry in another collection · chain A against A, TM-score 1.00
- P37651 · AlphaFold monomer V2.0 prediction for endoglucanase (P37651) · 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 P37651
- Elsewhere: RCSB PDB 3QXQ · PDBe 3QXQ · UniProt P37651
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