MolNFT v2 · #121325 · protein
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
5HI5: “Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists”. X-ray diffraction at 1.8, 1 ligand (63Q). MolNFT v2 #121325 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5HI5
- Type
- protein
- Length
- 1,061 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Homo sapiens; SYNTHETIC CONSTRUCT
- UniProt
- Q16552
- Ligands
- 63Q
Structure
x-ray diffraction · resolution 1.8 · 5 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 94 | — | Q16552 |
| B | — | protein | 87 | — | Q16552 |
| C, H | — | protein | 220 | — | — |
| D, L | — | protein | 213 | — | — |
| I | — | protein | 14 | — | — |
Ligands and binding sites
- 63Q · (4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5HI5 · Binding site elucidation and structure guided design of macrocyclic il-17A antagonists · 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 Q16552
- Elsewhere: RCSB PDB 5HI5 · PDBe 5HI5 · UniProt Q16552
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