MolNFT v1 · #45411 · protein

Competitive inhibition of TRPV1 calmodulin interaction by vanilloids

2N27: “Competitive inhibition of TRPV1 calmodulin interaction by vanilloids”. Solution nmr, 2 ligands (4DY, CA), 1 pocket (best druggability 0.72). MolNFT v1 #45411 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2N27
Type: protein
Length: 148 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calmodulin
UniProt: P62158
Ligands: 4DY, CA
Pockets: 1 · best druggability 0.72

Structure

solution nmr · 1 distinct chain · 57% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Calmodulin	protein	148	57% helix, 4% strand	P62158

Ligands and binding sites

4DY · (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide · ligand · chains A
CA · Calcium ion · metal · 4 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1078	0.72	0.76	69	CA, 4DY

Compared structures

2N27 · Competitive inhibition of TRPV1 calmodulin interaction by vanilloids · 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 P62158
Elsewhere: RCSB PDB 2N27 · PDBe 2N27 · UniProt P62158

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