MolNFT v1 · #17975 · protein
Crystal structure of vibrio cholerae putative NTPase epse
1P9W · General secretion pathway protein E: “Crystal structure of vibrio cholerae putative NTPase epse”. X-ray diffraction, 2 ligands (ANP, ZN), 3 pockets (best druggability 0.65). MolNFT v1 #17975 on GenesisL1: 3D structure, binding sites…
- PDB
- 1P9W
- Type
- protein
- Length
- 384 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- General secretion pathway protein E
- UniProt
- P37093
- Ligands
- ANP, ZN
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | General secretion pathway protein E | protein | 384 | 37% helix, 27% strand | P37093 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 476 | 0.65 | 0.78 | 52 | ANP |
| 2 | 52 | 0.32 | 0.76 | 15 | empty |
| 3 | 55 | 0.29 | 0.75 | 16 | empty |
Modifications
Observed in the structure: 11 modified (engineered).
Compared structures
- 1P9W · Crystal Structure of Vibrio cholerae putative NTPase EpsE · the same entry in another collection · chain A against A, TM-score 1.00
- P37093 · AlphaFold monomer V2.0 prediction for type II secretion system ATPase E (P37093) · a predicted model of the same protein · chain A against A, TM-score 0.85
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 P37093
- Elsewhere: RCSB PDB 1P9W · PDBe 1P9W · UniProt P37093
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