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MolNFT v1 · #177764 · protein + DNA

Crystal structure of arabidopsis TEM1 B3-DNA complex

7ET6 · AP2/ERF and B3 domain-containing transcription repressor…: “Crystal structure of arabidopsis TEM1 B3-DNA complex”. X-ray diffraction, 2 pockets (best druggability 0.67). MolNFT v1 #177764 on GenesisL1: 3D structure, binding sites…

PDB
7ET6
Type
protein + DNA
Length
241 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
AP2/ERF and B3 domain-containing transcription repressor TEM1; Ft-RY14-F; Ft-RY14-R
UniProt
Q9C6M5
Pockets
2 · best druggability 0.67

Structure

x-ray diffraction · 4 distinct chains · 16% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
DAP2/ERF and B3 domain-containing transcription repressor TEM1protein10914% helix, 39% strandQ9C6M5
AAP2/ERF and B3 domain-containing transcription repressor TEM1protein10218% helix, 39% strandQ9C6M5
EFt-RY14-Fdna15——
FFt-RY14-Rdna15——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14430.670.7932empty
2590.260.7313empty

Interfaces

5 interfaces between chains.

  • E–F · 661 Ų buried · 67 hydrogen bonds · nucleic-nucleic
  • A–E · 534 Ų buried · 9 hydrogen bonds · protein-nucleic
  • A–F · 440 Ų buried · 8 hydrogen bonds · protein-nucleic
  • D–E · 213 Ų buried · 5 hydrogen bonds · protein-nucleic
  • D–F · 157 Ų buried · 5 hydrogen bonds · protein-nucleic

Compared structures

  • 7ET6 · Crystal structure of Arabidopsis TEM1 B3-DNA complex · the same entry in another collection · chain D against D, TM-score 1.00
  • Q9C6M5 · AlphaFold monomer V2.0 prediction for AP2/ERF and B3 domain- containing transcription… · a predicted model of the same protein · chain A against A, TM-score 0.95

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