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MolNFT v1 · #93116 · protein

Crystal structure of ubiquitin from entamoeba histolytica to 2.15 ångström

4GSW: “Crystal structure of ubiquitin from entamoeba histolytica to 2.15 ångström”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.45). MolNFT v1 #93116 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4GSW
Type
protein
Length
147 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin
UniProt
C4M760
Ligands
SO4
Pockets
2 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitinprotein7426% helix, 38% strandC4M760
BUbiquitinprotein7326% helix, 34% strandC4M760

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1800.450.8121empty
2690.350.7718empty

Interfaces

1 interface between chains.

  • A–B · 445 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 4GSW · Crystal structure of ubiquitin from Entamoeba histolytica to 2.15 Angstrom · the same entry in another collection · chain A against A, TM-score 1.00

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