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MolNFT v1 · #100068 · protein

Crystal structure of heparan sulfate lyase hepc mutant from pedobacter heparinus

4MMI · Heparinase III protein: “Crystal structure of heparan sulfate lyase hepc mutant from pedobacter heparinus”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.72). MolNFT v1 #100068 on GenesisL1: 3D structure, binding…

PDB
4MMI
Type
protein
Length
636 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heparinase III protein
EC
4.2.2.8
UniProt
Q59289
Ligands
CA
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeparinase III protein (EC 4.2.2.8)protein63637% helix, 22% strandQ59289

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.720.9219empty
27830.700.7680empty
3820.370.7616empty
4540.290.7516empty

Compared structures

  • 4MMI · Crystal structure of heparan sulfate lyase HepC mutant from Pedobacter heparinus · the same entry in another collection · chain A against A, TM-score 1.00
  • Q59289 · AlphaFold monomer V2.0 prediction for heparin-sulfate lyase (Q59289) · a predicted model of the same protein · chain A against A, TM-score 0.79

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