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MolNFT v1 · #152657 · protein

Crystal structure of arabidopsis thaliana JMJ13 catalytic domain in complex with akg

6IP0 · Transcription factor jumonji (jmj) family protein: “Crystal structure of arabidopsis thaliana JMJ13 catalytic domain in complex with akg”. X-ray diffraction, 4 ligands (AKG, ZN, NI), 4 pockets (best druggability 0.73). MolNFT v1…

PDB
6IP0
Type
protein
Length
472 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription factor jumonji (jmj) family protein
UniProt
A0A1P8BAS6
Ligands
AKG, ZN, NI, SO4
Pockets
4 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscription factor jumonji (jmj) family proteinprotein47240% helix, 19% strandA0A1P8BAS6

Ligands and binding sites

  • AKG · 2-oxoglutaric acid · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • NI · Nickel (II) ion · metal · chains A
  • SO4 · Sulfate ion · ion · 13 copies · chains A

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
16400.730.8057AKG, NI, SO4
21500.540.8022empty
31490.530.8121empty
4760.370.7617empty

Compared structures

  • 6IP0 · Crystal structure of Arabidopsis thaliana JMJ13 catalytic domain in complex with AKG · the same entry in another collection · chain A against A, TM-score 1.00

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