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MolNFT v1 · #167931 · protein

Crystal structure of had hydrolase, family ia, variant 3 from entamoeba histolytica hm-1:IMSS

6W04: “Crystal structure of had hydrolase, family ia, variant 3 from entamoeba histolytica hm-1:IMSS”. X-ray diffraction, 2 ligands (MG, SO4), 1 pocket (best druggability 0.72). MolNFT v1 #167931 on GenesisL1: 3D structure, binding sites…

PDB
6W04
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Had hydrolase, family ia, variant 3
EC
3.-.-.-
UniProt
C4LXK0
Ligands
MG, SO4
Pockets
1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHad hydrolase, family ia, variant 3 (EC 3.-.-.-)protein22354% helix, 13% strandC4LXK0

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • SO4 · Sulfate ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15490.720.8147MG, EDO, SO4

Compared structures

  • 6W04 · Crystal structure of HAD hydrolase, family IA, variant 3 from Entamoeba histolytica… · the same entry in another collection · chain A against A, TM-score 1.00

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