Research workbench

Pseudomonas fluorescens aryl esterase

Analyse Pseudomonas fluorescens aryl esterase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1VA4
Type: protein
Length: 1,626 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Arylesterase
EC: 3.1.1.2
UniProt: P22862
Pockets: 19 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Arylesterase (EC 3.1.1.2)	protein	271	47% helix, 18% strand	P22862

Ligands and binding sites

GOL · Glycerol · additive · 20 copies · chains A, C, B, D, E, F

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

Pockets

19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	583	0.78	0.85	48	empty
2	566	0.78	0.84	49	empty
3	114	0.71	0.92	24	GOL
4	138	0.68	0.89	31	GOL
5	165	0.67	0.87	35	GOL

Interfaces

7 interfaces between chains.

A–C · 836 Å² buried · 10 hydrogen bonds · protein-protein
D–E · 832 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 813 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 813 Å² buried · 10 hydrogen bonds · protein-protein
E–F · 811 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

1VA4 · Pseudomonas fluorescens aryl esterase · the same entry in another collection · chain F against F, TM-score 1.00
P22862 · AlphaFold monomer V2.0 prediction for arylesterase (P22862) · a predicted model of the same protein · 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 P22862
Elsewhere: RCSB PDB 1VA4 · PDBe 1VA4 · UniProt P22862

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.