MolNFT v1 · #15571 · protein

Chemosensory protein in complex with bromo-dodecanol

1N8V: “Chemosensory protein in complex with bromo-dodecanol”. X-ray diffraction, 1 ligand (BDD), 2 pockets (best druggability 0.86). MolNFT v1 #15571 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1N8V
Type: protein
Length: 204 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chemosensory protein
UniProt: Q9NG96
Ligands: BDD
Pockets: 2 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chemosensory protein	protein	101	67% helix, 0% strand	Q9NG96
B	Chemosensory protein	protein	103	67% helix, 0% strand	Q9NG96

Ligands and binding sites

BDD · Bromo-dodecanol · ligand · 6 copies · chains A, B

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

Pockets

2 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	518	0.86	0.91	46	BDD
2	456	0.85	0.92	41	BDD

Interfaces

1 interface between chains.

A–B · 651 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1N8V · Chemosensory Protein in complex with bromo-dodecanol · 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 Q9NG96
Elsewhere: RCSB PDB 1N8V · PDBe 1N8V · UniProt Q9NG96

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