MolNFT v1 · #186418 · protein
Structure of the S. cerevisiae P4B ATPase lipid flippase in the E1-ATP state
7RD8 · Probable phospholipid-transporting ATPase NEO1: “Structure of the S. cerevisiae P4B ATPase lipid flippase in the E1-ATP state”. Electron microscopy, 2 ligands (ACP, MG), 19 pockets (best druggability 0.83). MolNFT v1 #186418 on…
- PDB
- 7RD8
- Type
- protein
- Length
- 929 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable phospholipid-transporting ATPase NEO1
- EC
- 7.6.2.1
- UniProt
- P40527
- Ligands
- ACP, MG
- Pockets
- 19 · best druggability 0.83
Structure
electron microscopy · 1 distinct chain · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable phospholipid-transporting ATPase NEO1 (EC 7.6.2.1) | protein | 929 | 46% helix, 17% strand | P40527 |
Ligands and binding sites
- ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 950 | 0.83 | 0.84 | 101 | empty |
| 2 | 941 | 0.78 | 0.81 | 91 | ACP |
| 3 | 758 | 0.76 | 0.80 | 65 | empty |
| 4 | 385 | 0.71 | 0.82 | 61 | empty |
| 5 | 57 | 0.69 | 0.96 | 19 | empty |
Compared structures
- 7RD8 · Structure of the S. cerevisiae P4B ATPase lipid flippase in the E1-ATP state · the same entry in another collection · chain A against A, TM-score 1.00
- P40527 · AlphaFold monomer V2.0 prediction for probable phospholipid- transporting ATPase NEO1… · a predicted model of the same protein · chain A against A, TM-score 0.81
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 P40527
- Elsewhere: RCSB PDB 7RD8 · PDBe 7RD8 · UniProt P40527
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