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MolNFT v1 · #171444 · protein

Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003791

6Z58: “Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003791”. X-ray diffraction, 2 ligands (Q9B, NA). MolNFT v1 #171444 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6Z58
Type
protein
Length
329 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q8TF76
Ligands
Q9B, NA

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein329—Q8TF76

Ligands and binding sites

  • Q9B · 8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018, 21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one · ligand · chains A
  • NA · Sodium ion · metal · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

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

Compared structures

  • 6Z58 · Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003791 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8TF76 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase haspin (Q8TF76) · a predicted model of the same protein · chain A against A, TM-score 0.98

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