MolNFT v2 · #154008 · protein
Crystal structure of CERT START domain in complex with compound SC1
6J0O · Lipid-transfer protein cert: “Crystal structure of CERT START domain in complex with compound SC1”. X-ray diffraction at 1.8, 2 ligands (XAF, UNX), 3 pockets (best druggability 0.85). MolNFT v2 #154008 on GenesisL1: 3D structure…
- PDB
- 6J0O
- Type
- protein
- Length
- 229 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Homo sapiens
- Molecule
- Lipid-transfer protein cert
- UniProt
- Q9Y5P4
- Ligands
- XAF, UNX
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · resolution 1.8 · 1 distinct chain · 27% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipid-transfer protein cert | protein | 229 | 27% helix, 39% strand | Q9Y5P4 |
Ligands and binding sites
- XAF · 2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol · ligand · chains A
- UNX · Unknown atom or ion · ion · 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 | 556 | 0.85 | 0.90 | 46 | XAF, UNX |
| 2 | 72 | 0.32 | 0.75 | 15 | empty |
| 3 | 58 | 0.28 | 0.74 | 18 | empty |
Compared structures
- 6J0O · Crystal structure of cert start domain in complex with compound SC1 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y5P4 · AlphaFold monomer V2.0 prediction for ceramide transfer protein (Q9Y5P4) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9Y5P4
- Elsewhere: RCSB PDB 6J0O · PDBe 6J0O · UniProt Q9Y5P4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.