MolNFT v1 · #150384 · protein

Glucuronoyl esterase from solibacter usitatus.

6GRY · Putative acetyl xylan esterase: “Glucuronoyl esterase from solibacter usitatus.”. X-ray diffraction, 5 pockets (best druggability 0.50). MolNFT v1 #150384 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6GRY
Type: protein
Length: 392 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative acetyl xylan esterase
EC: 3.1.1.-
UniProt: Q01YM8
Pockets: 5 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative acetyl xylan esterase (EC 3.1.1.-)	protein	392	34% helix, 21% strand	Q01YM8

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 13 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · 6 copies · chains A
PG4 · Tetraethylene glycol · additive · 2 copies · chains A
PGE · Triethylene glycol · additive · chains A

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

Pockets

5 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	172	0.50	0.77	20	PEG
2	162	0.48	0.76	22	PEG
3	88	0.42	0.78	25	PEG, PGE
4	56	0.33	0.78	16	PG4
5	52	0.28	0.75	19	EDO

Compared structures

6GRY · Glucuronoyl Esterase from Solibacter usitatus. · 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 Q01YM8
Elsewhere: RCSB PDB 6GRY · PDBe 6GRY · UniProt Q01YM8

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