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MolNFT v1 · #81315 · protein

Crystal structure of MDC1 fha domain

3UN0 · Mediator of DNA damage checkpoint protein 1: “Crystal structure of MDC1 fha domain”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.57). MolNFT v1 #81315 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
3UN0
Type
protein
Length
216 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mediator of DNA damage checkpoint protein 1
UniProt
Q14676
Ligands
SO4
Pockets
1 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BMediator of DNA damage checkpoint protein 1protein1070% helix, 44% strandQ14676
AMediator of DNA damage checkpoint protein 1protein1090% helix, 46% strandQ14676

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 7 copies · chains B, A

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
11790.570.8025empty

Interfaces

1 interface between chains.

  • B–A · 551 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 3UN0 · Crystal Structure of MDC1 FHA Domain · the same entry in another collection · chain B against B, TM-score 1.00
  • Q14676 · AlphaFold monomer V2.0 prediction for mediator of DNA damage checkpoint protein 1 (Q14676) · a predicted model of the same protein · chain A against A, TM-score 0.97

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