MolNFT v1 · #139160 · protein

Acetyl xylan esterase from aspergillus awamori

5X6S · Acetylxylan esterase a: “Acetyl xylan esterase from aspergillus awamori”. X-ray diffraction, 2 ligands (NAG, NA), 3 pockets (best druggability 0.62). MolNFT v1 #139160 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5X6S
Type: protein
Length: 548 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acetylxylan esterase a
EC: 3.1.1.72
UniProt: Q92194
Ligands: NAG, NA
Pockets: 3 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Acetylxylan esterase a (EC 3.1.1.72)	protein	274	30% helix, 20% strand	Q92194

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
NA · Sodium ion · metal · 4 copies · chains A, B
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 3 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	329	0.62	0.79	46	NA
2	68	0.52	0.86	24	NA
3	56	0.51	0.87	23	NA

Interfaces

1 interface between chains.

A–B · 713 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

5X6S · Acetyl xylan esterase from Aspergillus awamori · the same entry in another collection · chain A against A, TM-score 1.00
Q92194 · AlphaFold monomer V2.0 prediction for acetylxylan esterase a (Q92194) · a predicted model of the same protein · chain B 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 Q92194
Elsewhere: RCSB PDB 5X6S · PDBe 5X6S · UniProt Q92194

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