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MolNFT v1 · #143458 · protein

Crystal structure of HSNUDT16 in complex with diadpr (soaked)

6B09: “Crystal structure of HSNUDT16 in complex with diadpr (soaked)”. X-ray diffraction, 4 ligands (C7G, MG, NA). MolNFT v1 #143458 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6B09
Type
protein
Length
351 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q96DE0
Ligands
C7G, MG, NA, CL

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein176—Q96DE0
B—protein175—Q96DE0

Ligands and binding sites

  • C7G · [(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S}, 5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 4 copies · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains A, B
  • CL · Chloride ion · ion

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

Compared structures

  • 6B09 · Crystal structure of HsNUDT16 in complex with diADPR (soaked) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96DE0 · AlphaFold monomer V2.0 prediction for U8 snorna-decapping enzyme (Q96DE0) · a predicted model of the same protein · chain B against A, TM-score 0.99

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