MolNFT v1 · #158702 · protein
Structure of PCW3 conjugation coupling protein tcpa monomer form with atpgs
6O1X · DNA translocase coupling protein: “Structure of PCW3 conjugation coupling protein tcpa monomer form with atpgs”. X-ray diffraction, 2 ligands (AGS, BGC), 8 pockets (best druggability 0.77). MolNFT v1 #158702 on GenesisL1: 3D…
- PDB
- 6O1X
- Type
- protein
- Length
- 702 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA translocase coupling protein
- UniProt
- Q1PLI0
- Ligands
- AGS, BGC
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA translocase coupling protein | protein | 354 | 37% helix, 24% strand | Q1PLI0 |
| B | DNA translocase coupling protein | protein | 348 | 32% helix, 24% strand | Q1PLI0 |
Ligands and binding sites
- AGS · Phosphothiophosphoric acid-adenylate ester · ligand · chains A
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 689 | 0.77 | 0.83 | 87 | empty |
| 2 | 266 | 0.59 | 0.79 | 30 | empty |
| 3 | 145 | 0.56 | 0.82 | 23 | empty |
| 4 | 146 | 0.50 | 0.78 | 27 | empty |
| 5 | 84 | 0.47 | 0.81 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1295 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6O1X · Structure of pCW3 conjugation coupling protein TcpA monomer form with ATPgS · the same entry in another collection · 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 Q1PLI0
- Elsewhere: RCSB PDB 6O1X · PDBe 6O1X · UniProt Q1PLI0
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