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MolNFT v1 · #50993 · protein + RNA

Structure of the thermus thermophilus 30S ribosomal subunit complexed with a valine-asl with CMO5U in position 34 bound to an mRNA with a gua-codon in the a-site and paromomycin.

2UUC · 16S ribosomal RNA: “Structure of the thermus thermophilus 30S ribosomal subunit complexed with a valine-asl with CMO5U in…”. X-ray diffraction, 4 ligands (PAR, MG, K), 20 pockets (best druggability 0.88). MolNFT v1 #50993 on…

PDB
2UUC
Type
protein + RNA
Length
3,925 residues
Chains
23
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
16S ribosomal RNA; 30S ribosomal protein S2; 30S ribosomal protein S3; 30S ribosomal…
UniProt
P80371, P80372, P80373, Q5SHQ5, Q5SLP8, P17291, Q5SHQ2, P80374, Q5SHN7, P80376, Q5SHN3, P80377, Q5SHQ1, Q5SJ76, Q5SJH3, Q5SHP7, Q5SLQ0, Q5SHP2, P80380, Q5SIH3
Ligands
PAR, MG, K, ZN
Pockets
20 · best druggability 0.88

Structure

x-ray diffraction · 23 distinct chains · 35% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A16S ribosomal RNArna1512——
B30S ribosomal protein S2protein23442% helix, 12% strandP80371
C30S ribosomal protein S3protein20631% helix, 23% strandP80372
D30S ribosomal protein S4protein20841% helix, 9% strandP80373
E30S ribosomal protein S5protein15029% helix, 40% strandQ5SHQ5
F30S ribosomal protein S6protein10129% helix, 37% strandQ5SLP8
G30S ribosomal protein S7protein15557% helix, 9% strandP17291
H30S ribosomal protein S8protein13829% helix, 29% strandQ5SHQ2
I30S ribosomal protein S9protein12731% helix, 18% strandP80374
J30S ribosomal protein S10protein9816% helix, 30% strandQ5SHN7
K30S ribosomal protein S11protein11926% helix, 28% strandP80376
L30S ribosomal protein S12protein1245% helix, 23% strandQ5SHN3
M30S ribosomal protein S13protein12546% helix, 2% strandP80377
N30S ribosomal protein S14protein6028% helix, 7% strandQ5SHQ1
O30S ribosomal protein S15protein8876% helix, 0% strandQ5SJ76
P30S ribosomal protein S16protein8322% helix, 31% strandQ5SJH3
Q30S ribosomal protein S17protein10413% helix, 55% strandQ5SHP7
R30S ribosomal protein S18protein7338% helix, 5% strandQ5SLQ0
S30S ribosomal protein S19protein8023% helix, 20% strandQ5SHP2
T30S ribosomal protein S20protein9969% helix, 0% strandP80380
U30S ribosomal protein thxprotein2425% helix, 8% strandQ5SIH3
X5'-R(*GP*UP*AP*AP*AP*AP)-3'rna4——
Y5'-R(*CP*CP*UP*CP*CP*CP*UP*CM0P*AP*CP*6MZP*AP *GP*GP*AP*GP*G)-3'rna13——

Ligands and binding sites

  • PAR · Paromomycin · ligand · chains A
  • MG · Magnesium ion · metal · 184 copies · chains A, N, T, E, L, C, Q, M, U, X, B, D, I, K
  • K · Potassium ion · metal · 56 copies · chains A, M, U, T, C, E, G, Q
  • ZN · Zinc ion · metal · 2 copies · chains D, A, N

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
111360.880.9085MG
210320.850.8783MG, K
39620.850.8788MG, K
49170.840.86100empty
511140.830.8587MG

Interfaces

46 interfaces between chains.

  • A–L · 3386 Ų buried · 87 hydrogen bonds · protein-nucleic
  • A–D · 3029 Ų buried · 90 hydrogen bonds · protein-nucleic
  • A–I · 2970 Ų buried · 90 hydrogen bonds · protein-nucleic
  • A–Q · 2771 Ų buried · 64 hydrogen bonds · protein-nucleic
  • A–T · 2613 Ų buried · 68 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 2UUC · Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a Valine-ASL… · the same entry in another collection · chain A against A, TM-score 1.00

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