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Crystal structure of a family 51 alpha-L-arabinofuranosidase in complex with 4-nitrophenyl-ara

Analyse Crystal structure of a family 51 alpha-L-arabinofuranosidase in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1QW9
Type: protein
Length: 994 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-L-arabinofuranosidase
EC: 3.2.1.55
UniProt: Q9XBQ3
Ligands: KHP
Pockets: 6 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Alpha-L-arabinofuranosidase (EC 3.2.1.55)	protein	497	29% helix, 27% strand	Q9XBQ3

Ligands and binding sites

KHP · 4-nitrophenyl alpha-L-arabinofuranoside · ligand · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	905	0.70	0.75	86	empty
2	245	0.55	0.77	34	KHP
3	231	0.54	0.77	36	KHP
4	183	0.53	0.79	34	empty
5	58	0.29	0.74	13	empty

Interfaces

1 interface between chains.

A–B · 993 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

1QW9 · Crystal structure of a family 51 alpha-L-arabinofuranosidase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
Q9XBQ3 · AlphaFold monomer V2.0 prediction for intracellular exo… · 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 Q9XBQ3
Elsewhere: RCSB PDB 1QW9 · PDBe 1QW9 · UniProt Q9XBQ3

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