MolNFT v1 · #72497 · protein

Crystal structure of phenolic acid decarboxylase from bacillus pumilus ui-670

3NAD · Ferulate decarboxylase: “Crystal structure of phenolic acid decarboxylase from bacillus pumilus ui-670”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.74). MolNFT v1 #72497 on GenesisL1: 3D structure, binding…

PDB: 3NAD
Type: protein
Length: 320 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ferulate decarboxylase
UniProt: Q45361
Ligands: SO4
Pockets: 2 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ferulate decarboxylase	protein	161	21% helix, 43% strand	Q45361
B	Ferulate decarboxylase	protein	159	20% helix, 44% strand	Q45361

Ligands and binding sites

SO4 · Sulfate ion · ion · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	58	0.74	0.99	20	empty
2	205	0.70	0.87	31	SO4

Interfaces

1 interface between chains.

A–B · 1251 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

3NAD · Crystal Structure of Phenolic Acid Decarboxylase from Bacillus pumilus UI-670 · 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 Q45361
Elsewhere: RCSB PDB 3NAD · PDBe 3NAD · UniProt Q45361

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