MolNFT v1 · #98921 · protein

HA17-HA33-gal

4LO1 · Ha-33: “HA17-HA33-gal”. X-ray diffraction, 1 ligand (GAL), 7 pockets (best druggability 0.48). MolNFT v1 #98921 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4LO1
Type: protein
Length: 715 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ha-33; Ha-17
UniProt: Q45871, Q45878
Ligands: GAL
Pockets: 7 · best druggability 0.48

Structure

x-ray diffraction · 3 distinct chains · 10% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ha-33	protein	286	10% helix, 47% strand	Q45871
C	Ha-17	protein	144	6% helix, 48% strand	Q45878
B	Ha-33	protein	285	11% helix, 46% strand	Q45871

Ligands and binding sites

GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	153	0.48	0.78	24	empty
2	123	0.44	0.77	21	empty
3	78	0.43	0.80	18	empty
4	57	0.36	0.79	12	empty
5	91	0.34	0.74	18	empty

Interfaces

3 interfaces between chains.

A–B · 992 Å² buried · 14 hydrogen bonds · protein-protein
C–B · 695 Å² buried · 7 hydrogen bonds · protein-protein
A–C · 449 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

4LO1 · HA17-HA33-Gal · 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 Q45871
Every structure of UniProt Q45878
Elsewhere: RCSB PDB 4LO1 · PDBe 4LO1 · UniProt Q45871 · UniProt Q45878

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