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MolNFT v1 · #67434 · protein

The structure of a conserved protein from streptococcus mutans UA159.

3IKB · Uncharacterized conserved protein: “The structure of a conserved protein from streptococcus mutans UA159.”. X-ray diffraction, 8 pockets (best druggability 0.67). MolNFT v1 #67434 on GenesisL1: 3D structure, binding sites and…

PDB
3IKB
Type
protein
Length
392 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized conserved protein
UniProt
Q8DTT5
Pockets
8 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BUncharacterized conserved proteinprotein19648% helix, 10% strandQ8DTT5

Ligands and binding sites

  • FLC · Citrate anion · additive · 3 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13690.670.8036empty
24690.660.7846empty
32280.530.7736FLC
41780.520.7825FLC
5860.410.7815empty

Interfaces

1 interface between chains.

  • A–B · 696 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

  • 3IKB · The structure of a conserved protein from Streptococcus mutans UA159. · the same entry in another collection · chain A against A, TM-score 1.00

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