MolNFT v1 · #57316 · protein

Crystal structure of reducing-end-xylose releasing exo-oligoxylanase Y198F mutant

3A3V: “Crystal structure of reducing-end-xylose releasing exo-oligoxylanase Y198F mutant”. X-ray diffraction, 1 ligand (NI), 2 pockets (best druggability 0.56). MolNFT v1 #57316 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3A3V
Type: protein
Length: 376 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Xylanase Y
EC: 3.2.1.156
UniProt: Q9KB30
Ligands: NI
Pockets: 2 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Xylanase Y (EC 3.2.1.156)	protein	376	50% helix, 8% strand	Q9KB30

Ligands and binding sites

NI · Nickel (II) ion · metal · chains A
GOL · Glycerol · additive · 4 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	256	0.56	0.78	34	GOL
2	57	0.43	0.83	18	empty

Compared structures

3A3V · Crystal structure of reducing-end-xylose releasing exo-oligoxylanase Y198F mutant · the same entry in another collection · chain A against A, TM-score 1.00
Q9KB30 · AlphaFold monomer V2.0 prediction for reducing end xylose-releasing exo-oligoxylanase… · 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 Q9KB30
Elsewhere: RCSB PDB 3A3V · PDBe 3A3V · UniProt Q9KB30

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