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MolNFT v1 · #113718 · protein

Structure of a human 4E-T - DDX6 - CNOT1 complex

5ANR · CCR4-not transcription complex subunit 1: “Structure of a human 4E-T - DDX6 - CNOT1 complex”. X-ray diffraction, 4 pockets (best druggability 0.65). MolNFT v1 #113718 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5ANR
Type
protein
Length
628 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CCR4-not transcription complex subunit 1; Probable ATP-dependent RNA helicase DDX6…
EC
3.6.4.13
UniProt
A5YKK6, P26196, Q9NRA8
Pockets
4 · best druggability 0.65

Structure

x-ray diffraction · 3 distinct chains · 50% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACCR4-not transcription complex subunit 1protein24567% helix, 0% strandA5YKK6
BProbable ATP-dependent RNA helicase DDX6 (EC 3.6.4.13)protein36041% helix, 18% strandP26196
CEukaryotic translation initiation factor 4E transporterprotein2317% helix, 0% strandQ9NRA8

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15530.650.7662empty
24700.640.7749empty
31820.430.7330empty
4630.330.7615empty

Interfaces

3 interfaces between chains.

  • A–B · 1168 Ų buried · 25 hydrogen bonds · protein-protein
  • B–C · 1066 Ų buried · 16 hydrogen bonds · protein-protein
  • A–C · 122 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 5ANR · Structure of a human 4E-T - DDX6 - CNOT1 complex · the same entry in another collection · chain A against A, TM-score 1.00
  • A5YKK6 · AlphaFold monomer V2.0 prediction for CCR4-not transcription complex subunit 1 (A5YKK6) · a predicted model of the same protein · chain A against A, TM-score 0.95
  • P26196 · AlphaFold monomer V2.0 prediction for probable ATP-dependent RNA helicase DDX6 (P26196) · a predicted model of the same protein · chain B against A, TM-score 0.75
  • Q9NRA8 · AlphaFold monomer V2.0 prediction for eukaryotic translation initiation factor 4E… · a predicted model of the same protein · chain C against A, TM-score 0.23

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