GL1X · GenesisL1 explorer

MolNFT v1 · #124293 · protein

The structure of SAV2435 bound to rhodamine 6G

5KAU · SA2223 protein: “The structure of SAV2435 bound to rhodamine 6G”. X-ray diffraction, 1 ligand (RHQ), 1 pocket (best druggability 0.56). MolNFT v1 #124293 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5KAU
Type
protein
Length
165 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SA2223 protein
UniProt
A0A0H3JRN6
Ligands
RHQ
Pockets
1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASA2223 proteinprotein16529% helix, 35% strandA0A0H3JRN6

Ligands and binding sites

  • RHQ · Rhodamine 6G · ligand · chains A
  • GOL · Glycerol · additive · 4 copies · 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
12820.560.7647RHQ, GOL

Compared structures

  • 5KAU · The structure of SAV2435 bound to RHODAMINE 6G · the same entry in another collection · chain A against A, TM-score 1.00

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