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MolNFT v1 · #155499 · protein

Crystal structure of TEAD4 in complex with a novel FAM181A peptide

6L9F · Transcriptional enhancer factor tef-3: “Crystal structure of TEAD4 in complex with a novel FAM181A peptide”. X-ray diffraction, 5 pockets (best druggability 0.69). MolNFT v1 #155499 on GenesisL1: 3D structure, binding sites and…

PDB
6L9F
Type
protein
Length
451 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional enhancer factor tef-3; Protein FAM181A
UniProt
Q62296, Q8N9Y4
Pockets
5 · best druggability 0.69

Structure

x-ray diffraction · 4 distinct chains · 19% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional enhancer factor tef-3protein20218% helix, 52% strandQ62296
CProtein FAM181Aprotein1741% helix, 0% strandQ8N9Y4
BTranscriptional enhancer factor tef-3protein21617% helix, 50% strandQ62296
DProtein FAM181Aprotein1625% helix, 0% strandQ8N9Y4

Ligands and binding sites

  • ACT · Acetate ion · additive · 5 copies · chains A, B, C

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17590.690.7653ACT
2620.630.9217empty
3750.620.9021empty
4530.470.8516empty
5590.250.7216empty

Interfaces

3 interfaces between chains.

  • A–B · 848 Ų buried · 15 hydrogen bonds · protein-protein
  • A–C · 739 Ų buried · 12 hydrogen bonds · protein-protein
  • B–D · 735 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

  • 6L9F · Crystal structure of TEAD4 in complex with a novel FAM181A peptide · the same entry in another collection · chain D against D, TM-score 1.00
  • Q62296 · AlphaFold monomer V2.0 prediction for transcriptional enhancer factor tef-3 (Q62296) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q8N9Y4 · AlphaFold monomer V2.0 prediction for protein FAM181A (Q8N9Y4) · a predicted model of the same protein · chain C against A, TM-score 0.51

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