MolNFT v1 · #120990 · protein

Inhibiting complex il-17A and il-17RA interactions with a linear peptide

5HHV · Interleukin-17A: “Inhibiting complex il-17A and il-17RA interactions with a linear peptide”. X-ray diffraction, 3 pockets (best druggability 0.68). MolNFT v1 #120990 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5HHV
Type: protein
Length: 547 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Interleukin-17A; Cat-2000 Fab heavy chain; Il-17A peptide inhibitor; Cat-2000 Fab light…
UniProt: Q16552
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 5 distinct chains · 8% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Interleukin-17A	protein	90	4% helix, 54% strand	Q16552
B	Interleukin-17A	protein	10	0% helix, 30% strand	Q16552
H	Cat-2000 Fab heavy chain	protein	220	7% helix, 51% strand	—
I	Il-17A peptide inhibitor	protein	14	50% helix, 21% strand	—
L	Cat-2000 Fab light chain	protein	213	8% helix, 49% strand	—

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	474	0.68	0.79	75	empty
2	290	0.53	0.75	35	empty
3	111	0.38	0.75	23	empty

Interfaces

6 interfaces between chains.

H–L · 1850 Å² buried · 19 hydrogen bonds · protein-protein
B–I · 396 Å² buried · 8 hydrogen bonds · protein-protein
A–L · 359 Å² buried · 2 hydrogen bonds · protein-protein
A–H · 335 Å² buried · 1 hydrogen bond · protein-protein
A–I · 321 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

5HHV · Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide · the same entry in another collection · chain B against B, TM-score 1.00
Q16552 · AlphaFold monomer V2.0 prediction for interleukin-17A (Q16552) · a predicted model of the same protein · chain A against A, TM-score 0.90

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 5HHV · PDBe 5HHV · UniProt Q16552

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