MolNFT v1 · #60954 · protein

Crystal structure of a pheromone binding protein mutant D35N, from apis mellifera, soaked at pH 4.0

3D77 · Pheromone-binding protein ASP1: “Crystal structure of a pheromone binding protein mutant D35N, from apis mellifera, soaked at pH 4.0”. X-ray diffraction, 2 ligands (NBB, NA), 1 pocket (best druggability 0.74). MolNFT v1 #60954 on…

PDB: 3D77
Type: protein
Length: 116 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pheromone-binding protein ASP1
UniProt: Q9U9J6
Ligands: NBB, NA
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pheromone-binding protein ASP1	protein	116	60% helix, 2% strand	Q9U9J6

Ligands and binding sites

NBB · N-butyl-benzenesulfonamide · ligand · chains A
NA · Sodium ion · metal · chains A
EDO · 1,2-ethanediol · additive · 6 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	185	0.74	0.89	26	NBB

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

3D77 · Crystal structure of a pheromone binding protein mutant D35N, from Apis mellifera, soaked… · 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 Q9U9J6
Elsewhere: RCSB PDB 3D77 · PDBe 3D77 · UniProt Q9U9J6

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