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Yeast DMC1 presynaptic complex

Analyse Yeast DMC1 presynaptic complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7EJ6
Type
protein + DNA
Length
957 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HLJ1_G0016300.MRNA.1.CDS.1; DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3')
UniProt
A0A6L0Z498
Ligands
ATP, MG
Pockets
10 · best druggability 0.83

Structure

electron microscopy · 2 distinct chains · 39% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, C, AHLJ1_G0016300.MRNA.1.CDS.1protein31639% helix, 20% strandA0A6L0Z498
DDNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3')dna9——

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 3 copies · chains B, A, C
  • MG · Magnesium ion · metal · 3 copies · chains B, C, A

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

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17140.830.8786ATP, MG
28410.820.8594MG, ATP
36370.720.8060empty
45180.710.8049empty
53360.680.8234empty

Interfaces

5 interfaces between chains.

  • B–A · 1961 Ų buried · 18 hydrogen bonds · protein-protein
  • B–C · 1909 Ų buried · 17 hydrogen bonds · protein-protein
  • B–D · 682 Ų buried · 14 hydrogen bonds · protein-nucleic
  • C–D · 561 Ų buried · 9 hydrogen bonds · protein-nucleic
  • A–D · 556 Ų buried · 12 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 6 covalent (covalent ligand).

Compared structures

  • 7EJ6 · Yeast Dmc1 presynaptic complex · the same entry in another collection · chain B against B, TM-score 1.00

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