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MolNFT v1 · #65606 · protein

Structure of ubiquitin in complex with CD ions

3H1U: “Structure of ubiquitin in complex with CD ions”. X-ray diffraction, 1 ligand (CD), 1 pocket (best druggability 0.26). MolNFT v1 #65606 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3H1U
Type
protein
Length
150 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin
UniProt
P62990
Ligands
CD
Pockets
1 · best druggability 0.26

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BUbiquitinprotein7520% helix, 28% strandP62990

Ligands and binding sites

  • CD · Cadmium ion · metal · 5 copies · chains A, B

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
1530.260.7412empty

Interfaces

1 interface between chains.

  • A–B · 538 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 3H1U · Structure of ubiquitin in complex with Cd ions · the same entry in another collection · chain A against A, TM-score 1.00

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