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MolNFT v1 · #177846 · protein

Crystal structure of hnrnp ll RRM2 in complex with SETD2

7EVS · Heterogeneous nuclear ribonucleoprotein L-like: “Crystal structure of hnrnp ll RRM2 in complex with SETD2”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.57). MolNFT v1 #177846 on GenesisL1: 3D structure, binding…

PDB
7EVS
Type
protein
Length
227 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heterogeneous nuclear ribonucleoprotein L-like; Shi domain from histone-lysine…
UniProt
Q8WVV9, Q9BYW2
Ligands
SO4
Pockets
4 · best druggability 0.57

Structure

x-ray diffraction · 3 distinct chains · 15% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BHeterogeneous nuclear ribonucleoprotein L-likeprotein10119% helix, 36% strandQ8WVV9
CShi domain from histone-lysine N-methyltransferase SETD2protein120% helix, 8% strandQ9BYW2
DShi domain from histone-lysine N-methyltransferase SETD2protein130% helix, 8% strandQ9BYW2

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12600.570.7724empty
2890.520.8320empty
3930.500.8216empty
4990.420.7825empty

Interfaces

5 interfaces between chains.

  • B–D · 513 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 508 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 354 Ų buried · 6 hydrogen bonds · protein-protein
  • A–D · 217 Ų buried · 0 hydrogen bonds · protein-protein
  • B–C · 209 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7EVS · Crystal structure of hnRNP LL RRM2 in complex with SETD2 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8WVV9 · AlphaFold monomer V2.0 prediction for heterogeneous nuclear ribonucleoprotein L-like… · a predicted model of the same protein · chain A against A, TM-score 0.96
  • Q9BYW2 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase SETD2 (Q9BYW2) · a predicted model of the same protein · chain C against A, TM-score 0.34

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