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MolNFT v1 · #79957 · protein

Tubulin tyrosine ligase

3TII · Ttl protein: “Tubulin tyrosine ligase”. X-ray diffraction, 2 ligands (ANP, MG), 8 pockets (best druggability 0.63). MolNFT v1 #79957 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3TII
Type
protein
Length
624 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ttl protein
UniProt
A9ULH4
Ligands
ANP, MG
Pockets
8 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATtl proteinprotein31130% helix, 22% strandA9ULH4
BTtl proteinprotein31329% helix, 23% strandA9ULH4

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 7 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12990.630.8049empty
21870.520.7821ANP, MG
31500.480.7719ANP
4500.470.8518empty
51490.440.7624empty

Interfaces

1 interface between chains.

  • A–B · 786 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 3TII · Tubulin tyrosine ligase · the same entry in another collection · chain A against A, TM-score 1.00

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