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MolNFT v1 · #117662 · protein + RNA

Radiation damage to the trap-RNA complex: dose (dwd) 16.7 mgy

5EF0 · Transcription attenuation protein mtrb: “Radiation damage to the trap-RNA complex: dose (dwd) 16.7 mgy”. X-ray diffraction, 1 ligand (TRP), 20 pockets (best druggability 0.82). MolNFT v1 #117662 on GenesisL1: 3D structure, binding…

PDB
5EF0
Type
protein + RNA
Length
1,565 residues
Chains
23
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription attenuation protein mtrb; (GAGUU)10GAG 53-nucleotide RNA
UniProt
Q9X6J6
Ligands
TRP
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 6 distinct chains · 0% helix, 61% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CTranscription attenuation protein mtrbprotein690% helix, 61% strandQ9X6J6
B, E, G, H, I, KTranscription attenuation protein mtrbprotein680% helix, 62% strandQ9X6J6
D, FTranscription attenuation protein mtrbprotein690% helix, 61% strandQ9X6J6
JTranscription attenuation protein mtrbprotein670% helix, 63% strandQ9X6J6
L, M, N, O, P, Q, R, S, T, U, VTranscription attenuation protein mtrbprotein700% helix, 60% strandQ9X6J6
W(GAGUU)10GAG 53-nucleotide RNArna44——

Ligands and binding sites

  • TRP · Tryptophan · ligand · 22 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, V, M, N, O, P, Q, R, S, T, U

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18270.820.84119empty
2950.780.9921TRP
3870.760.9820TRP
4860.760.9820TRP
5870.760.9821TRP

Interfaces

66 interfaces between chains.

  • N–O · 1219 Ų buried · 16 hydrogen bonds · protein-protein
  • Q–R · 1200 Ų buried · 18 hydrogen bonds · protein-protein
  • P–Q · 1195 Ų buried · 18 hydrogen bonds · protein-protein
  • M–N · 1193 Ų buried · 18 hydrogen bonds · protein-protein
  • L–V · 1183 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 5EF0 · RADIATION DAMAGE TO THE TRAP-RNA COMPLEX: DOSE (DWD) 16.7 MGy · the same entry in another collection · chain H against H, TM-score 1.00

Analyse

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