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MolNFT v1 · #14261 · protein

Crystal structure of yckf from bacillus subtilis

1M3S · Hypothetical protein yckf: “Crystal structure of yckf from bacillus subtilis”. X-ray diffraction, 3 pockets (best druggability 0.67). MolNFT v1 #14261 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1M3S
Type
protein
Length
364 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein yckf
UniProt
P42404
Pockets
3 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical protein yckfprotein18146% helix, 12% strandP42404
BHypothetical protein yckfprotein18349% helix, 12% strandP42404

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17060.670.7556empty
2620.310.7518empty
3520.250.7320empty

Interfaces

1 interface between chains.

  • A–B · 190 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1M3S · Crystal structure of YckF from Bacillus subtilis · the same entry in another collection · chain A against A, TM-score 1.00
  • P42404 · AlphaFold monomer V2.0 prediction for 3-hexulose-6-phosphate isomerase (P42404) · a predicted model of the same protein · chain A against A, TM-score 0.96

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