MolNFT v1 · #91121 · protein
Crystal structure of N-terminal domain of ECCA1 ATPase from esx-1 secretion system of mycobacterium tuberculosis
4F3V · Esx-1 secretion system protein ECCA1: “Crystal structure of N-terminal domain of ECCA1 ATPase from esx-1 secretion system of mycobacterium…”. X-ray diffraction, 2 ligands (SM, SO4), 7 pockets (best druggability 0.54). MolNFT v1…
- PDB
- 4F3V
- Type
- protein
- Length
- 548 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Esx-1 secretion system protein ECCA1
- UniProt
- O69733
- Ligands
- SM, SO4
- Pockets
- 7 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 66% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Esx-1 secretion system protein ECCA1 | protein | 275 | 66% helix, 3% strand | O69733 |
| B | Esx-1 secretion system protein ECCA1 | protein | 273 | 66% helix, 2% strand | O69733 |
Ligands and binding sites
- SM · Samarium (III) ion · metal · 3 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 261 | 0.54 | 0.76 | 34 | empty |
| 2 | 173 | 0.45 | 0.75 | 26 | empty |
| 3 | 127 | 0.39 | 0.74 | 30 | empty |
| 4 | 61 | 0.32 | 0.76 | 14 | empty |
| 5 | 63 | 0.30 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1169 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4F3V · Crystal structure of N-terminal domain of EccA1 ATPase from ESX-1 secretion system of… · 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 O69733
- Elsewhere: RCSB PDB 4F3V · PDBe 4F3V · UniProt O69733
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