MolNFT v1 · #53665 · protein

Glycoside hydrolase family 77 4-alpha-glucanotransferase from thermus brockianus

2X1I: “Glycoside hydrolase family 77 4-alpha-glucanotransferase from thermus brockianus”. X-ray diffraction, 3 ligands (INS, PO4, SO4), 7 pockets (best druggability 0.77). MolNFT v1 #53665 on GenesisL1: 3D structure, binding sites and…

PDB: 2X1I
Type: protein
Length: 497 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 4-alpha-glucanotransferase
UniProt: Q2VJA0
Ligands: INS, PO4, SO4
Pockets: 7 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	4-alpha-glucanotransferase	protein	497	45% helix, 13% strand	Q2VJA0

Ligands and binding sites

INS · 1,2,3,4,5,6-hexahydroxy-cyclohexane · ligand · 2 copies · chains A
PO4 · Phosphate ion · ion · chains A
SO4 · Sulfate ion · ion · chains A

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

Pockets

7 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	101	0.77	0.97	26	empty
2	576	0.67	0.77	50	empty
3	219	0.52	0.77	36	empty
4	117	0.42	0.76	19	empty
5	85	0.37	0.76	21	empty

Compared structures

2X1I · glycoside hydrolase family 77 4-alpha-glucanotransferase from thermus brockianus · 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 Q2VJA0
Elsewhere: RCSB PDB 2X1I · PDBe 2X1I · UniProt Q2VJA0

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