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MolNFT v1 · #141924 · protein

Colicin D central domain and C-terminal trnase domain

5ZNM · Colicin-D: “Colicin D central domain and C-terminal trnase domain”. X-ray diffraction, 1 ligand (SO4), 10 pockets (best druggability 0.79). MolNFT v1 #141924 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5ZNM
Type
protein
Length
715 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Colicin-D
UniProt
P17998
Ligands
SO4
Pockets
10 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AColicin-Dprotein35824% helix, 29% strandP17998
BColicin-Dprotein35723% helix, 30% strandP17998

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, B
  • GOL · Glycerol · additive · 12 copies · chains A, B

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
16590.790.8363GOL
22590.640.8242SO4
33030.620.7949SO4
43280.590.7755empty
51810.580.8238empty

Interfaces

1 interface between chains.

  • A–B · 1736 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 5ZNM · Colicin D Central Domain and C-terminal tRNase domain · the same entry in another collection · chain A against A, TM-score 1.00
  • P17998 · AlphaFold monomer V2.0 prediction for colicin-D (P17998) · a predicted model of the same protein · chain A against A, TM-score 0.99

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