MolNFT v1 · #95636 · protein

Hsa-fructose complex

4IW1 · Serum albumin: “Hsa-fructose complex”. X-ray diffraction, 3 ligands (FUD, FRU, PO4), 6 pockets (best druggability 0.84). MolNFT v1 #95636 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4IW1
Type: protein
Length: 560 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serum albumin
UniProt: P02768
Ligands: FUD, FRU, PO4
Pockets: 6 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serum albumin	protein	560	71% helix, 0% strand	P02768

Ligands and binding sites

FUD · D-fructose · ligand · chains A
FRU · beta-D-fructofuranose · sugar · chains A
PO4 · Phosphate ion · ion · chains A

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1004	0.84	0.85	114	FRU, PO4, FUD
2	193	0.58	0.81	21	empty
3	94	0.54	0.84	14	empty
4	134	0.54	0.81	23	empty
5	132	0.44	0.77	31	empty

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

4IW1 · HSA-fructose complex · the same entry in another collection · chain A against A, TM-score 1.00
P02768 · AlphaFold monomer V2.0 prediction for albumin (P02768) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P02768
Elsewhere: RCSB PDB 4IW1 · PDBe 4IW1 · UniProt P02768

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