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MolNFT v1 · #164976 · RNA

Crystal structure of the ADP-binding domain of the NAD+ riboswitch with adenosine 3-phosphate 5-phosphosulfate (apps)

6TFG · Chains: a: “Crystal structure of the ADP-binding domain of the NAD+ riboswitch with adenosine 3-phosphate…”. X-ray diffraction, 3 ligands (PPS, MG, NA), 2 pockets (best druggability 0.54). MolNFT v1 #164976 on GenesisL1: 3D…

PDB
6TFG
Type
RNA
Length
52 nucleotides
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chains: a
Ligands
PPS, MG, NA
Pockets
2 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
AChains: arna52——

Ligands and binding sites

  • PPS · 3'-phosphate-adenosine-5'-phosphate sulfate · ligand · chains A
  • MG · Magnesium ion · metal · 6 copies · chains A
  • NA · Sodium ion · metal · 5 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14690.540.7225MG, NA
2570.230.7110MG

Compared structures

  • 6TFG · Crystal structure of the ADP-binding domain of the NAD+ riboswitch with Adenosine… · the same entry in another collection · chain A against A, TM-score 1.00

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