MolNFT v1 · #137017 · protein

Il-17A in complex with peptide

5VB9 · Interleukin-17A: “Il-17A in complex with peptide”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.56). MolNFT v1 #137017 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5VB9
Type: protein
Length: 239 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Interleukin-17A; Peptide inhibitor
UniProt: Q16552
Ligands: CL
Pockets: 3 · best druggability 0.56

Structure

x-ray diffraction · 3 distinct chains · 4% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Interleukin-17A	protein	108	4% helix, 45% strand	Q16552
B	Interleukin-17A	protein	101	4% helix, 49% strand	Q16552
C, D	Peptide inhibitor	protein	15	0% helix, 40% strand	—

Ligands and binding sites

CL · Chloride ion · ion · chains B
EDO · 1,2-ethanediol · additive · 3 copies · chains A, C, B

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	369	0.56	0.74	33	empty
2	93	0.48	0.81	19	empty
3	99	0.46	0.79	19	empty

Interfaces

3 interfaces between chains.

B–D · 563 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 551 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 206 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

5VB9 · IL-17A in complex with peptide · the same entry in another collection · chain A against A, TM-score 1.00
Q16552 · AlphaFold monomer V2.0 prediction for interleukin-17A (Q16552) · a predicted model of the same protein · chain B against A, TM-score 0.85

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 5VB9 · PDBe 5VB9 · UniProt Q16552

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