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MolNFT v1 · #70361 · protein

Crystal structure of the extracellular domain of the putative histidine kinase MMHK1S-Z2

3LI9 · Hypothetical sensory transduction histidine kinase: “Crystal structure of the extracellular domain of the putative histidine kinase MMHK1S-Z2”. X-ray diffraction, 2 pockets (best druggability 0.48). MolNFT v1 #70361 on GenesisL1: 3D…

PDB
3LI9
Type
protein
Length
262 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical sensory transduction histidine kinase
UniProt
Q8PSW8
Pockets
2 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical sensory transduction histidine kinaseprotein26234% helix, 29% strandQ8PSW8

Ligands and binding sites

  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11180.480.7918BTB
21190.420.7526empty

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 3LI9 · Crystal Structure of the extracellular domain of the putative histidine kinase mmHK1S-Z2 · the same entry in another collection · chain A against A, TM-score 1.00

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