MolNFT v1 · #27734 · protein

Structure of a family 31 alpha glycosidase

1XSI · Putative family 31 glucosidase yici: “Structure of a family 31 alpha glycosidase”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.82). MolNFT v1 #27734 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 1XSI
Type: protein
Length: 4,638 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative family 31 glucosidase yici
EC: 3.2.1.-
UniProt: P31434
Ligands: SO4
Pockets: 20 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Putative family 31 glucosidase yici (EC 3.2.1.-)	protein	773	22% helix, 33% strand	P31434

Ligands and binding sites

SO4 · Sulfate ion · ion · 18 copies · chains A, B, C, D, E, F
MPO · 3[N-morpholino]propane sulfonic acid · additive · 4 copies · chains B, C, D, E
ACY · Acetic acid · additive · 3 copies · chains A, E, F

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	209	0.82	0.95	51	empty
2	108	0.78	0.97	28	empty
3	116	0.76	0.96	31	empty
4	968	0.75	0.78	108	SO4, ACY
5	956	0.75	0.78	98	empty

Interfaces

10 interfaces between chains.

E–F · 2074 Å² buried · 16 hydrogen bonds · protein-protein
B–C · 2063 Å² buried · 14 hydrogen bonds · protein-protein
A–D · 2060 Å² buried · 16 hydrogen bonds · protein-protein
C–E · 1047 Å² buried · 13 hydrogen bonds · protein-protein
A–F · 1040 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

1XSI · Structure of a Family 31 alpha glycosidase · the same entry in another collection · chain C against C, TM-score 1.00
P31434 · AlphaFold monomer V2.0 prediction for alpha-xylosidase (P31434) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P31434
Elsewhere: RCSB PDB 1XSI · PDBe 1XSI · UniProt P31434

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