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MolNFT v1 · #14158 · protein

Crystal structure of bacteriophage T7 endonuclease I with a wild-type active site and bound manganese ions

1M0D · Endodeoxyribonuclease I: “Crystal structure of bacteriophage T7 endonuclease I with a wild-type active site and bound manganese ions”. X-ray diffraction, 2 ligands (MN, SO4), 5 pockets (best druggability 0.53). MolNFT v1 #14158 on…

PDB
1M0D
Type
protein
Length
516 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endodeoxyribonuclease I
EC
3.1.21.2
UniProt
P00641
Ligands
MN, SO4
Pockets
5 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DEndodeoxyribonuclease I (EC 3.1.21.2)protein12932% helix, 26% strandP00641

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 8 copies · chains A, B, C, D
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14240.530.7238MN, SO4
21140.410.7624empty
3640.410.8014empty
4570.400.8121empty
5660.330.7621empty

Interfaces

5 interfaces between chains.

  • A–B · 3000 Ų buried · 37 hydrogen bonds · protein-protein
  • C–D · 2833 Ų buried · 38 hydrogen bonds · protein-protein
  • A–D · 337 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 326 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 125 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1M0D · Crystal Structure of Bacteriophage T7 Endonuclease I with a Wild-Type Active Site and… · the same entry in another collection · chain A against A, TM-score 1.00

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