MolNFT v1 · #173229 · protein
Structure of ESTD11 in complex with naproxen
7AT4: “Structure of ESTD11 in complex with naproxen”. X-ray diffraction, 1 ligand (NPX), 1 pocket (best druggability 0.78). MolNFT v1 #173229 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7AT4
- Type
- protein
- Length
- 294 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ESTD11
- Ligands
- NPX
- Pockets
- 1 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ESTD11 | protein | 294 | 43% helix, 17% strand | — |
Ligands and binding sites
- NPX · (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid · ligand · 4 copies · chains A
- FMT · Formic acid · additive · 6 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 625 | 0.78 | 0.84 | 51 | FMT, NPX |
Compared structures
- 7AT4 · Structure of EstD11 in complex with Naproxen · 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
- Elsewhere: RCSB PDB 7AT4 · PDBe 7AT4
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