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MolNFT v1 · #137950 · protein

Structure of S65D phosphomimetic ubiquitin refined at 1.2 ångströms resolution

5W46 · Polyubiquitin-B: “Structure of S65D phosphomimetic ubiquitin refined at 1.2 ångströms resolution”. X-ray diffraction, 1 ligand (MG), 1 pocket (best druggability 0.33). MolNFT v1 #137950 on GenesisL1: 3D structure, binding sites and…

PDB
5W46
Type
protein
Length
150 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polyubiquitin-B
UniProt
P0CG47
Ligands
MG
Pockets
1 · best druggability 0.33

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolyubiquitin-Bprotein7424% helix, 34% strandP0CG47
BPolyubiquitin-Bprotein7624% helix, 34% strandP0CG47

Ligands and binding sites

  • MG · Magnesium ion · metal · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1710.330.7518empty

Interfaces

1 interface between chains.

  • A–B · 503 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5W46 · Structure of S65D Phosphomimetic Ubiquitin Refined at 1.2 Angstroms Resolution · the same entry in another collection · chain A against A, TM-score 1.00

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