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MolNFT v1 · #172835 · protein + RNA

Bacterial 30S ribosomal subunit assembly complex state D (head domain)

7AFK · 16SRRNA (head domain of the 30S ribosome): “Bacterial 30S ribosomal subunit assembly complex state D (head domain)”. Electron microscopy, 2 ligands (MG, ZN), 20 pockets (best druggability 0.85). MolNFT v1 #172835 on GenesisL1: 3D…

PDB
7AFK
Type
protein + RNA
Length
1,564 residues
Chains
9
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
16SRRNA (head domain of the 30S ribosome); 30S ribosomal protein S2; 30S ribosomal…
UniProt
C3TPN2, C3SQX2, A0A5Q2GFB5, C3SRY2, C3SQT7, C3SR52, C3SR07, C3SQW2
Ligands
MG, ZN
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 9 distinct chains · 41% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
116SRRNA (head domain of the 30S ribosome)rna456——
B30S ribosomal protein S2protein22450% helix, 14% strandC3TPN2
C30S ribosomal protein S3protein21133% helix, 27% strandC3SQX2
G30S ribosomal protein S7protein15156% helix, 3% strandA0A5Q2GFB5
I30S ribosomal protein S9protein12735% helix, 21% strandC3SRY2
J30S ribosomal protein S10protein9925% helix, 36% strandC3SQT7
M30S ribosomal protein S13protein11451% helix, 0% strandC3SR52
N30S ribosomal protein S14protein10049% helix, 2% strandC3SR07
S30S ribosomal protein S19protein8216% helix, 18% strandC3SQW2

Ligands and binding sites

  • MG · Magnesium ion · metal · 12 copies · chains 1, N, C
  • ZN · Zinc ion · metal · chains B

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19160.850.8758MG
29610.840.8686empty
37970.820.8663MG
45860.820.8748empty
59590.820.8470empty

Interfaces

17 interfaces between chains.

  • 1–I · 2736 Ų buried · 107 hydrogen bonds · protein-nucleic
  • 1–N · 2197 Ų buried · 77 hydrogen bonds · protein-nucleic
  • 1–G · 2002 Ų buried · 81 hydrogen bonds · protein-nucleic
  • 1–M · 1810 Ų buried · 75 hydrogen bonds · protein-nucleic
  • 1–J · 1666 Ų buried · 50 hydrogen bonds · protein-nucleic

Modifications

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

Compared structures

  • 7AFK · Bacterial 30S ribosomal subunit assembly complex state D (head domain) · the same entry in another collection · chain 1 against 1, TM-score 1.00

Analyse

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