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MolNFT v1 · #84947 · protein

Crystal structure of a RAVER1 PRI4 peptide in complex with polypyrimidine tract binding protein RRM2

3ZZZ · Polypyrimidine tract-binding protein 1: “Crystal structure of a RAVER1 PRI4 peptide in complex with polypyrimidine tract binding protein RRM2”. X-ray diffraction, 1 ligand (IOD), 1 pocket (best druggability 0.54). MolNFT v1 #84947…

PDB
3ZZZ
Type
protein
Length
224 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polypyrimidine tract-binding protein 1; Ribonucleoprotein ptb-binding 1
UniProt
P26599, Q9CW46
Ligands
IOD
Pockets
1 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 20% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPolypyrimidine tract-binding protein 1protein10521% helix, 37% strandP26599
C, DRibonucleoprotein ptb-binding 1protein70% helix, 43% strandQ9CW46

Ligands and binding sites

  • IOD · Iodide ion · ion · 5 copies · chains A, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12860.540.7645empty

Interfaces

4 interfaces between chains.

  • A–B · 452 Ų buried · 4 hydrogen bonds · protein-protein
  • A–C · 416 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 387 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 137 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3ZZZ · Crystal structure of a Raver1 PRI4 peptide in complex with polypyrimidine tract binding… · the same entry in another collection · chain A against A, TM-score 1.00
  • P26599 · AlphaFold monomer V2.0 prediction for polypyrimidine tract-binding protein 1 (P26599) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q9CW46 · AlphaFold monomer V2.0 prediction for ribonucleoprotein ptb-binding 1 (Q9CW46) · a predicted model of the same protein · chain C against A, TM-score 0.62

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