MolNFT v1 · #88421 · protein

Unravelling the multiple functions of the architecturally intricate streptococcus pneumoniae beta-galactosidase, bgaa

4CU7: “Unravelling the multiple functions of the architecturally intricate streptococcus pneumoniae…”. X-ray diffraction, 2 ligands (GIF, SO4), 11 pockets (best druggability 0.77). MolNFT v1 #88421 on GenesisL1: 3D structure, binding sites…

PDB: 4CU7
Type: protein
Length: 848 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-galactosidase
EC: 3.2.1.23
UniProt: I6L8R4
Ligands: GIF, SO4
Pockets: 11 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-galactosidase (EC 3.2.1.23)	protein	848	17% helix, 38% strand	I6L8R4

Ligands and binding sites

GIF · D-galacto-isofagomine · ligand · chains A
SO4 · Sulfate ion · ion · 8 copies · chains A
EDO · 1,2-ethanediol · additive · 25 copies · chains A

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

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	769	0.77	0.81	72	SO4, EDO
2	87	0.76	0.98	22	EDO
3	51	0.71	0.99	16	empty
4	491	0.66	0.78	47	EDO
5	441	0.62	0.77	45	empty

Compared structures

4CU7 · Unravelling the multiple functions of the architecturally intricate Streptococcus… · 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 I6L8R4
Elsewhere: RCSB PDB 4CU7 · PDBe 4CU7 · UniProt I6L8R4

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