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MolNFT v1 · #57954 · protein

Crystal structure of the C-terminal domain of sequence-specific ribonuclease

3AO9 · Colicin-E5: “Crystal structure of the C-terminal domain of sequence-specific ribonuclease”. X-ray diffraction, 1 ligand (CD), 2 pockets (best druggability 0.65). MolNFT v1 #57954 on GenesisL1: 3D structure, binding sites and pockets…

PDB
3AO9
Type
protein
Length
183 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Colicin-E5
EC
3.1.-.-
UniProt
P18000
Ligands
CD
Pockets
2 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AColicin-E5 (EC 3.1.-.-)protein9724% helix, 34% strandP18000
BColicin-E5 (EC 3.1.-.-)protein8621% helix, 36% strandP18000

Ligands and binding sites

  • CD · Cadmium ion · metal · 4 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1500.650.9526empty
21470.500.7925empty

Interfaces

1 interface between chains.

  • A–B · 606 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 3AO9 · Crystal structure of the C-terminal domain of sequence-specific ribonuclease · the same entry in another collection · chain A against A, TM-score 1.00
  • P18000 · AlphaFold monomer V2.0 prediction for colicin-E5 (P18000) · a predicted model of the same protein · chain A against A, TM-score 0.96

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