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MolNFT v1 · #170968 · protein

Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with xtp, datp, dcmpnpp, mn and mg

6YOM: “Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with xtp, datp, dcmpnpp, mn and mg”. X-ray diffraction, 6 ligands (0KX, CZF, DTP). MolNFT v1 #170968 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6YOM
Type
protein
Length
936 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9Y3Z3
Ligands
0KX, CZF, DTP, MG, FE, MN

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein470—Q9Y3Z3
B—protein466—Q9Y3Z3

Ligands and binding sites

  • 0KX · 2'-deoxy-5'-O-[(R)-hydroxy{[(r)-hydroxy(phosphonooxy) phosphoryl]amino}phosphoryl]cytidine · ligand · 2 copies · chains A, B
  • CZF · [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate · ligand · 2 copies · chains A, B
  • DTP · 2'-deoxyadenosine 5'-triphosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 4 copies · chains A, B
  • FE · Fe (III) ion · metal · 2 copies · chains A, B
  • MN · Manganese (II) ion · metal · 2 copies · chains A, B

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

Compared structures

  • 6YOM · Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dATP… · the same entry in another collection · chain A against A, TM-score 1.00

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