MolNFT v1 · #52492 · protein

Crystal structure of single point mutant ARG48GLN of P- coumaric acid decarboxylase from lactobacillus plantarum structural insights into the active site and decarboxylation catalytic mechanism

2W2F · P-coumaric acid decarboxylase: “Crystal structure of single point mutant ARG48GLN of P- coumaric acid decarboxylase from lactobacillus…”. X-ray diffraction, 1 ligand (BA), 3 pockets (best druggability 0.29). MolNFT v1 #52492 on…

PDB: 2W2F
Type: protein
Length: 700 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: P-coumaric acid decarboxylase
UniProt: Q88RY7
Ligands: BA
Pockets: 3 · best druggability 0.29

Structure

x-ray diffraction · 1 distinct chain · 18% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	P-coumaric acid decarboxylase	protein	175	18% helix, 41% strand	Q88RY7

Ligands and binding sites

BA · Barium ion · metal · 2 copies · chains B, D

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	59	0.29	0.74	17	empty
2	54	0.27	0.74	17	empty
3	63	0.26	0.72	22	empty

Interfaces

3 interfaces between chains.

C–D · 1246 Å² buried · 25 hydrogen bonds · protein-protein
A–B · 1246 Å² buried · 23 hydrogen bonds · protein-protein
A–C · 311 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

2W2F · Crystal structure of single point mutant ARG48GLN of P-coumaric acid decarboxylase from… · 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 Q88RY7
Elsewhere: RCSB PDB 2W2F · PDBe 2W2F · UniProt Q88RY7

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