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MolNFT v1 · #105543 · protein

Crystal structure of an active mcm hexamer

4R7Y · Minichromosome maintenance protein mcm, cell division…: “Crystal structure of an active mcm hexamer”. X-ray diffraction, 4 ligands (ADP, MG, ZN), 15 pockets (best druggability 0.85). MolNFT v1 #105543 on GenesisL1: 3D structure…

PDB
4R7Y
Type
protein
Length
1,182 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Minichromosome maintenance protein mcm, cell division control protein 21
EC
3.6.4.12
UniProt
Q9UXG1, Q8U3I4
Ligands
ADP, MG, ZN, CL
Pockets
15 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMinichromosome maintenance protein mcm, cell division control protein 21 (EC 3.6.4.12)protein59137% helix, 23% strandQ9UXG1, Q8U3I4

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • CL · Chloride ion · ion · 6 copies · chains A, B

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

Pockets

15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110220.850.86107ADP, MG
24760.710.8166empty
36670.690.7660empty
43350.560.7640empty
53100.550.7641empty

Interfaces

1 interface between chains.

  • A–B · 2691 Ų buried · 30 hydrogen bonds · protein-protein

Compared structures

  • 4R7Y · Crystal structure of an active MCM hexamer · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UXG1 · AlphaFold monomer V2.0 prediction for minichromosome maintenance protein mcm (Q9UXG1) · a predicted model of the same protein · chain A against A, TM-score 0.71

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