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MolNFT v1 · #63097 · protein

Structure of para-ADP COMPLEX:TETRAGONAL form

3EZ6 · Plasmid partition protein a: “Structure of para-ADP COMPLEX:TETRAGONAL form”. X-ray diffraction, 2 ligands (ADP, MG), 7 pockets (best druggability 0.82). MolNFT v1 #63097 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3EZ6
Type
protein
Length
782 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Plasmid partition protein a
UniProt
P07620
Ligands
ADP, MG
Pockets
7 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APlasmid partition protein aprotein38852% helix, 12% strandP07620
BPlasmid partition protein aprotein39450% helix, 11% strandP07620

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111840.820.83122ADP, MG
21760.480.7626empty
31720.480.7624empty
4650.450.8218empty
5800.340.7520empty

Interfaces

1 interface between chains.

  • A–B · 2764 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 3EZ6 · Structure of parA-ADP complex:tetragonal form · the same entry in another collection · chain A against A, TM-score 1.00
  • P07620 · AlphaFold monomer V2.0 prediction for plasmid partition protein a (P07620) · a predicted model of the same protein · chain A against A, TM-score 0.95

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