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MolNFT v1 · #36182 · protein

TRAP4 (engineered trap)

2EXT · Transcription attenuation protein mtrb: “TRAP4 (engineered trap)”. X-ray diffraction, 1 ligand (TRP), 4 pockets (best druggability 0.75). MolNFT v1 #36182 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2EXT
Type
protein
Length
195 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription attenuation protein mtrb
UniProt
Q9X6J6
Ligands
TRP
Pockets
4 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 61% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscription attenuation protein mtrbprotein630% helix, 60% strandQ9X6J6
B, CTranscription attenuation protein mtrbprotein660% helix, 62% strandQ9X6J6

Ligands and binding sites

  • TRP · Tryptophan · ligand · 3 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1790.750.9821TRP
2830.730.9721TRP
3800.430.7917empty
4560.330.7712TRP

Interfaces

2 interfaces between chains.

  • B–C · 1033 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 922 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 2EXT · TRAP4 (engineered TRAP) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9X6J6 · AlphaFold monomer V2.0 prediction for transcription attenuation protein mtrb (Q9X6J6) · a predicted model of the same protein · chain A against A, TM-score 0.99

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