MolNFT v1 · #165567 · protein
Bacterial cellulose synthase outermembrane channel bcsc with terminal tpr repeat
6TZK · Cellulose synthase operon protein C: “Bacterial cellulose synthase outermembrane channel bcsc with terminal tpr repeat”. X-ray diffraction, 2 ligands (3PE, CA), 5 pockets (best druggability 0.70). MolNFT v1 #165567 on GenesisL1: 3D…
- PDB
- 6TZK
- Type
- protein
- Length
- 451 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellulose synthase operon protein C
- UniProt
- P37650
- Ligands
- 3PE, CA
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cellulose synthase operon protein C | protein | 451 | 16% helix, 50% strand | P37650 |
Ligands and binding sites
- 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine · ligand · chains A
- CA · Calcium ion · metal · chains A
- LMT · Dodecyl-beta-D-maltoside · additive · chains A
- HEZ · Hexane-1,6-diol · additive · chains A
- PE5 · 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol · additive · chains A
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 452 | 0.70 | 0.81 | 66 | empty |
| 2 | 279 | 0.67 | 0.83 | 39 | empty |
| 3 | 168 | 0.53 | 0.80 | 35 | empty |
| 4 | 82 | 0.37 | 0.77 | 21 | empty |
| 5 | 55 | 0.31 | 0.76 | 14 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6TZK · Bacterial cellulose synthase outermembrane channel BcsC with terminal TPR repeat · the same entry in another collection · chain A against A, TM-score 1.00
- P37650 · AlphaFold monomer V2.0 prediction for cellulose synthase operon protein C (P37650) · 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 P37650
- Elsewhere: RCSB PDB 6TZK · PDBe 6TZK · UniProt P37650
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