MolNFT v1 · #115003 · protein
PROTEIN B
5C6O · BH2163 protein: “PROTEIN B”. X-ray diffraction, 1 ligand (4YH), 6 pockets (best druggability 0.87). MolNFT v1 #115003 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5C6O
- Type
- protein
- Length
- 446 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BH2163 protein
- UniProt
- Q9KAX3
- Ligands
- 4YH
- Pockets
- 6 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BH2163 protein | protein | 446 | 67% helix, 0% strand | Q9KAX3 |
Ligands and binding sites
- 4YH · (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl) pentanenitrile · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 931 | 0.87 | 0.88 | 94 | 4YH |
| 2 | 129 | 0.63 | 0.86 | 22 | empty |
| 3 | 181 | 0.60 | 0.82 | 42 | empty |
| 4 | 67 | 0.48 | 0.84 | 19 | empty |
| 5 | 60 | 0.43 | 0.82 | 15 | empty |
Compared structures
- 5C6O · protein B · 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 Q9KAX3
- Elsewhere: RCSB PDB 5C6O · PDBe 5C6O · UniProt Q9KAX3
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