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MolNFT v1 · #191009 · protein

RNA binding induces an allosteric switch in CYP33 to repress MLL1 mediated transcription

7ZEY · Peptidyl-prolyl cis-trans isomerase E: “RNA binding induces an allosteric switch in CYP33 to repress MLL1 mediated transcription”. Solution nmr, 1 ligand (ZN), 1 pocket (best druggability 0.31). MolNFT v1 #191009 on GenesisL1: 3D…

PDB
7ZEY
Type
protein
Length
181 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptidyl-prolyl cis-trans isomerase E; Mll cleavage product N320
EC
5.2.1.8
UniProt
Q9UNP9, Q03164
Ligands
ZN
Pockets
1 · best druggability 0.31

Structure

solution nmr · 2 distinct chains · 26% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptidyl-prolyl cis-trans isomerase E (EC 5.2.1.8)protein11729% helix, 21% strandQ9UNP9
BMll cleavage product N320protein6420% helix, 13% strandQ03164

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1680.310.7518empty

Interfaces

1 interface between chains.

  • A–B · 1251 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 7ZEY · Complex Cyp33-RRM : MLL1-PHD3 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UNP9 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase E (Q9UNP9) · a predicted model of the same protein · chain A against A, TM-score 0.68

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