MolNFT v1 · #147839 · protein

Structure of dncs-1 bound to the ncs-1/RIC8A PROTEIN/PROTEIN interaction regulator igs-1.76

6EPA · FI18190P1: “Structure of dncs-1 bound to the ncs-1/RIC8A PROTEIN/PROTEIN interaction regulator igs-1.76”. X-ray diffraction, 3 ligands (BNQ, CA, NA), 4 pockets (best druggability 0.56). MolNFT v1 #147839 on GenesisL1: 3D structure…

PDB: 6EPA
Type: protein
Length: 183 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: FI18190P1
UniProt: Q9VWX8
Ligands: BNQ, CA, NA
Pockets: 4 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	FI18190P1	protein	183	61% helix, 3% strand	Q9VWX8

Ligands and binding sites

BNQ · ~{N}-(1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide · ligand · chains A
CA · Calcium ion · metal · 3 copies · chains A
NA · Sodium ion · metal · chains A
PG0 · 2-(2-methoxyethoxy)ethanol · additive · chains A

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

Pockets

4 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	276	0.56	0.76	26	BNQ
2	57	0.40	0.81	12	empty
3	84	0.38	0.76	12	PG0
4	52	0.27	0.74	12	NA

Compared structures

6EPA · Structure of dNCS-1 bound to the NCS-1/Ric8a protein/protein interaction regulator… · 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 Q9VWX8
Elsewhere: RCSB PDB 6EPA · PDBe 6EPA · UniProt Q9VWX8

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