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MolNFT v1 · #181780 · protein

Crystal structure of human MPP8 chromodomain in complex with peptidomimetic ligand UNC5246

7M5U · M-phase phosphoprotein 8: “Crystal structure of human MPP8 chromodomain in complex with peptidomimetic ligand UNC5246”. X-ray diffraction, 1 ligand (MN1). MolNFT v1 #181780 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7M5U
Type
protein
Length
63 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
M-phase phosphoprotein 8; UNC5246
UniProt
Q99549
Ligands
MN1

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AM-phase phosphoprotein 8protein5834% helix, 41% strandQ99549
BUNC5246protein50% helix, 40% strand—

Ligands and binding sites

  • MN1 · 4-carboxypiperidine · ligand · chains A, B
  • MOH · Methanol · additive · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 572 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent, 1 modified (additive adduct, covalent ligand, nonstandard).

Compared structures

  • 7M5U · Crystal structure of human MPP8 chromodomain in complex with peptidomimetic ligand UNC5246 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q99549 · AlphaFold monomer V2.0 prediction for M-phase phosphoprotein 8 (Q99549) · a predicted model of the same protein · chain A against A, TM-score 0.92

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