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MolNFT v1 · #112324 · protein

Crystal structure of a bacterial signalling protein

4ZHV · Yfib: “Crystal structure of a bacterial signalling protein”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.42). MolNFT v1 #112324 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4ZHV
Type
protein
Length
273 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Yfib
UniProt
Q9I4L6
Ligands
SO4
Pockets
4 · best druggability 0.42

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AYfibprotein13945% helix, 19% strandQ9I4L6
BYfibprotein13446% helix, 20% strandQ9I4L6

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11240.420.7619empty
21310.380.7421empty
3840.370.7616empty
4520.240.7214empty

Interfaces

1 interface between chains.

  • A–B · 566 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 4ZHV · Crystal structure of a bacterial signalling protein · the same entry in another collection · chain A against A, TM-score 1.00

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