MolNFT v1 · #98925 · protein

HA70-ALPHA2,3-sialc

4LO5 · Ha-70: “HA70-ALPHA2,3-sialc”. X-ray diffraction, 4 ligands (GLC, GAL, SIA), 8 pockets (best druggability 0.63). MolNFT v1 #98925 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4LO5
Type: protein
Length: 591 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ha-70
UniProt: Q8KHU9
Ligands: GLC, GAL, SIA, CL
Pockets: 8 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ha-70	protein	170	13% helix, 46% strand	Q8KHU9
B	Ha-70	protein	421	5% helix, 49% strand	Q8KHU9

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · chains B
GAL · beta-D-galactopyranose · sugar · chains B
SIA · N-acetyl-alpha-neuraminic acid · sugar · chains B
CL · Chloride ion · ion · chains B

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

Pockets

8 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	116	0.63	0.88	30	empty
2	238	0.56	0.78	34	empty
3	93	0.53	0.84	20	empty
4	125	0.49	0.80	26	empty
5	133	0.49	0.79	16	empty

Interfaces

1 interface between chains.

A–B · 2035 Å² buried · 48 hydrogen bonds · protein-protein

Compared structures

4LO5 · HA70-alpha2,3-SiaLC · 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 Q8KHU9
Elsewhere: RCSB PDB 4LO5 · PDBe 4LO5 · UniProt Q8KHU9

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