MolNFT v1 · #185359 · protein

Crystal structure of human heparanase in complex with covalent inhibitor CB678

7PRT: “Crystal structure of human heparanase in complex with covalent inhibitor CB678”. X-ray diffraction, 5 ligands (8I4, Z61, NAG). MolNFT v1 #185359 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7PRT
Type: protein
Length: 458 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q9Y251
Ligands: 8I4, Z61, NAG, FUC, CL

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	384	—	Q9Y251
B	—	protein	74	—	Q9Y251

Ligands and binding sites

8I4 · (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid · ligand · chains A, B
Z61 · 2-deoxy-alpha-D-arabino-hexopyranose · ligand · chains A, B
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A
FUC · alpha-L-fucopyranose · sugar · chains A
CL · Chloride ion · ion · 2 copies · chains A, B
EDO · 1,2-ethanediol · additive · 3 copies · chains A, B

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

Compared structures

7PRT · Crystal structure of human heparanase in complex with covalent inhibitor CB678 · the same entry in another collection · chain B against B, TM-score 1.00
Q9Y251 · AlphaFold monomer V2.0 prediction for heparanase (Q9Y251) · a predicted model of the same protein · 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 Q9Y251
Elsewhere: RCSB PDB 7PRT · PDBe 7PRT · UniProt Q9Y251

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