MolNFT v1 · #32577 · protein

Solution structure of the bluf domain of appa 5-125

2BUN: “Solution structure of the bluf domain of appa 5-125”. Solution nmr, 1 ligand (FAD), 2 pockets (best druggability 0.66). MolNFT v1 #32577 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2BUN
Type: protein
Length: 121 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Appa
UniProt: Q53119
Ligands: FAD
Pockets: 2 · best druggability 0.66

Structure

solution nmr · 1 distinct chain · 27% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Appa	protein	121	27% helix, 26% strand	Q53119

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · chains A

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

Pockets

2 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	144	0.66	0.87	22	FAD
2	106	0.41	0.76	21	empty

Compared structures

2BUN · Solution structure of the BLUF domain of AppA 5-125 · 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 Q53119
Elsewhere: RCSB PDB 2BUN · PDBe 2BUN · UniProt Q53119

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