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MolNFT v1 · #30305 · protein + RNA

Crystal structure of a group I INTRON/TWO exon complex that includes all catalytic metal ion ligands.

1ZZN · 197-mer: “Crystal structure of a group I INTRON/TWO exon complex that includes all catalytic metal ion ligands.”. X-ray diffraction, 2 ligands (MG, K), 8 pockets (best druggability 0.77). MolNFT v1 #30305 on GenesisL1: 3D structure…

PDB
1ZZN
Type
protein + RNA
Length
317 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
197-mer; 5'-R(*AP*AP*GP*CP*CP*AP*CP*AP*CP*AP*AP*AP*CP*CP*AP*GP*AP*CP *GP*GP*CP*C)-3'…
UniProt
P09012
Ligands
MG, K
Pockets
8 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 24% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B197-merrna197——
C5'-R(*AP*AP*GP*CP*CP*AP*CP*AP*CP*AP*AP*AP*CP*CP*AP*GP*AP*CP *GP*GP*CP*C)-3'rna22——
D5'-R(*CP*AP*(5MU))-3'rna3——
AU1 small nuclear ribonucleoprotein a RNA binding domainprotein9524% helix, 18% strandP09012

Ligands and binding sites

  • MG · Magnesium ion · metal · 5 copies · chains B, C, D
  • K · Potassium ion · metal · chains B

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

Pockets

8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15620.770.8545empty
27690.740.8036empty
310280.680.7454MG
43840.580.7729empty
54750.580.7530empty

Interfaces

4 interfaces between chains.

  • B–C · 1945 Ų buried · 124 hydrogen bonds · nucleic-nucleic
  • B–A · 932 Ų buried · 27 hydrogen bonds · protein-nucleic
  • B–D · 407 Ų buried · 23 hydrogen bonds · nucleic-nucleic
  • C–D · 104 Ų buried · 6 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 3 modified (nucleotide modification).

Compared structures

  • 1ZZN · Crystal structure of a group I intron/two exon complex that includes all catalytic metal… · the same entry in another collection · chain B against B, TM-score 1.00

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