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Putative aromatic acid decarboxylase

Analyse Putative aromatic acid decarboxylase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4IWS
Type: protein
Length: 1,972 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: PA0254
EC: 4.1.1.-
UniProt: Q9I6N5
Ligands: SO4
Pockets: 18 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 32% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	PA0254 (EC 4.1.1.-)	protein	493	32% helix, 24% strand	Q9I6N5
B	PA0254 (EC 4.1.1.-)	protein	495	33% helix, 25% strand	Q9I6N5
C	PA0254 (EC 4.1.1.-)	protein	491	32% helix, 24% strand	Q9I6N5

Ligands and binding sites

SO4 · Sulfate ion · ion · chains D

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

Pockets

18 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	138	0.82	0.99	22	empty
2	843	0.81	0.84	60	empty
3	883	0.81	0.83	65	empty
4	123	0.81	0.99	23	empty
5	964	0.80	0.81	70	empty

Interfaces

6 interfaces between chains.

A–B · 3719 Å² buried · 50 hydrogen bonds · protein-protein
C–D · 3592 Å² buried · 42 hydrogen bonds · protein-protein
B–C · 495 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 325 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 313 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

4IWS · Putative Aromatic Acid Decarboxylase · the same entry in another collection · chain D against D, TM-score 1.00
Q9I6N5 · AlphaFold monomer V2.0 prediction for ubid-like decarboxylase (Q9I6N5) · a predicted model of the same protein · chain C against A, TM-score 0.98

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 Q9I6N5
Elsewhere: RCSB PDB 4IWS · PDBe 4IWS · UniProt Q9I6N5

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