MolNFT v1 · #153397 · protein
ATPASE
6JD5 · Esx conserved component ECCC2. esx-2 type VII secretion…: “ATPASE”. X-ray diffraction, 2 ligands (ATP, MG), 5 pockets (best druggability 0.78). MolNFT v1 #153397 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6JD5
- Type
- protein
- Length
- 519 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Esx conserved component ECCC2. esx-2 type VII secretion system protein. possible membrane…
- UniProt
- O05450
- Ligands
- ATP, MG
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Esx conserved component ECCC2. esx-2 type VII secretion system protein. possible membrane protein | protein | 260 | 31% helix, 24% strand | O05450 |
| B | Esx conserved component ECCC2. esx-2 type VII secretion system protein. possible membrane protein | protein | 259 | 32% helix, 25% strand | O05450 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 993 | 0.78 | 0.80 | 100 | ATP, MG |
| 2 | 145 | 0.50 | 0.79 | 20 | empty |
| 3 | 148 | 0.48 | 0.78 | 19 | empty |
| 4 | 68 | 0.30 | 0.74 | 19 | empty |
| 5 | 59 | 0.27 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 869 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6JD5 · ATPase · 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 O05450
- Elsewhere: RCSB PDB 6JD5 · PDBe 6JD5 · UniProt O05450
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