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Crystal structure of INICSNFR3A fluorescent nicotine sensor with nicotine bound

Analyse Crystal structure of INICSNFR3A fluorescent nicotine sensor with nicotine bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7S7U
Type: protein
Length: 511 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inicsnfr 3.0 fluorescent nicotine sensor
Ligands: CRO
Pockets: 6 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Inicsnfr 3.0 fluorescent nicotine sensor	protein	511	29% helix, 32% strand	—

Ligands and binding sites

CRO · {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · chains A

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

Pockets

6 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	299	0.77	0.88	40	empty
2	213	0.76	0.90	51	CRO
3	69	0.44	0.81	21	empty
4	94	0.33	0.73	21	empty
5	66	0.33	0.76	24	empty

Modifications

Observed in the structure: 2 cofactor (chromophore).

Compared structures

7S7U · Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor with nicotine bound · 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
Elsewhere: RCSB PDB 7S7U · PDBe 7S7U

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