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MolNFT v1 · #55040 · protein

Dntr inducer binding domain in complex with salicylate. trigonal crystal form

2Y7P · Lysr-type regulatory protein: “Dntr inducer binding domain in complex with salicylate. trigonal crystal form”. X-ray diffraction, 2 ligands (SAL, PEU), 1 pocket (best druggability 0.68). MolNFT v1 #55040 on GenesisL1: 3D structure…

PDB
2Y7P
Type
protein
Length
215 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lysr-type regulatory protein
UniProt
Q7WT50
Ligands
SAL, PEU
Pockets
1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysr-type regulatory proteinprotein21535% helix, 27% strandQ7WT50

Ligands and binding sites

  • SAL · 2-hydroxybenzoic acid · ligand · 2 copies · chains A
  • PEU · 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56, 59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11640.680.8735SAL, PEU

Compared structures

  • 2Y7P · DntR Inducer Binding Domain in Complex with Salicylate. Trigonal crystal form · the same entry in another collection · chain A against A, TM-score 1.00

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