MolNFT v1 · #120944 · protein
A serpin structure
5HGC: “A serpin structure”. X-ray diffraction, 3 ligands (HCY, BDG, SO4), 3 pockets (best druggability 0.50). MolNFT v1 #120944 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5HGC
- Type
- protein
- Length
- 373 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serpin
- UniProt
- H0ZQY2
- Ligands
- HCY, BDG, SO4
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serpin | protein | 373 | 32% helix, 30% strand | H0ZQY2 |
Ligands and binding sites
- HCY · (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione · ligand · chains A
- BDG · 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 148 | 0.50 | 0.78 | 17 | HCY |
| 2 | 58 | 0.29 | 0.75 | 18 | SO4 |
| 3 | 51 | 0.27 | 0.74 | 13 | empty |
Compared structures
- 5HGC · A Serpin structure · 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 H0ZQY2
- Elsewhere: RCSB PDB 5HGC · PDBe 5HGC · UniProt H0ZQY2
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