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MolNFT v1 · #156974 · protein + RNA

Structure of the thermus thermophilus 30S ribosomal subunit complexed with an inosine (I34) modified anticodon stem loop (asl) of escherichia COLI transfer RNA arginine 2 (TRNAARG2) bound to an mRNA with an cgu-codon in the a-site and paromomycin

6MKN · 16S rRNA: “Structure of the thermus thermophilus 30S ribosomal subunit complexed with an inosine (I34) modified…”. X-ray diffraction, 2 ligands (PAR, MG), 20 pockets (best druggability 0.89). MolNFT v1 #156974 on GenesisL1: 3D…

PDB
6MKN
Type
protein + RNA
Length
3,918 residues
Chains
23
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
16S rRNA; 30S ribosomal protein S2; 30S ribosomal protein S3; 30S ribosomal protein S4…
UniProt
P80371, P80372, P80373, Q5SHQ5, Q5SLP8, P17291, P0DOY9, P80374, Q5SHN7, P80376, Q5SHN3, P80377, P0DOY6, Q5SJ76, Q5SJH3, P0DOY7, Q5SLQ0, Q5SHP2, P80380, Q5SIH3
Ligands
PAR, MG
Pockets
20 · best druggability 0.89

Structure

x-ray diffraction · 23 distinct chains · 35% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A16S rRNArna1507——
B30S ribosomal protein S2protein23446% helix, 10% strandP80371
C30S ribosomal protein S3protein20633% helix, 19% strandP80372
D30S ribosomal protein S4protein20840% helix, 8% strandP80373
E30S ribosomal protein S5protein15031% helix, 39% strandQ5SHQ5
F30S ribosomal protein S6protein10126% helix, 49% strandQ5SLP8
G30S ribosomal protein S7protein15554% helix, 6% strandP17291
H30S ribosomal protein S8protein13829% helix, 25% strandP0DOY9
I30S ribosomal protein S9protein12734% helix, 20% strandP80374
J30S ribosomal protein S10protein9819% helix, 23% strandQ5SHN7
K30S ribosomal protein S11protein11924% helix, 29% strandP80376
L30S ribosomal protein S12protein1247% helix, 25% strandQ5SHN3
M30S ribosomal protein S13protein12548% helix, 0% strandP80377
N30S ribosomal protein S14 type Zprotein6028% helix, 7% strandP0DOY6
O30S ribosomal protein S15protein8870% helix, 0% strandQ5SJ76
P30S ribosomal protein S16protein8322% helix, 33% strandQ5SJH3
Q30S ribosomal protein S17protein10413% helix, 46% strandP0DOY7
R30S ribosomal protein S18protein7337% helix, 8% strandQ5SLQ0
S30S ribosomal protein S19protein8016% helix, 11% strandQ5SHP2
T30S ribosomal protein S20protein9970% helix, 0% strandP80380
V30S ribosomal protein thxprotein2429% helix, 0% strandQ5SIH3
XTRNA asl escherichia COLI ARG2rna11——
WMRNA a-site fragmentrna4——

Ligands and binding sites

  • PAR · Paromomycin · ligand · chains A
  • MG · Magnesium ion · metal · 78 copies · chains A, K, N, C, V, T, J, E

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
110140.890.9294MG
210730.870.88107MG
311750.860.88115empty
48060.840.8773MG
56520.840.8983empty

Interfaces

44 interfaces between chains.

  • A–L · 3314 Ų buried · 85 hydrogen bonds · protein-nucleic
  • A–I · 3049 Ų buried · 89 hydrogen bonds · protein-nucleic
  • A–Q · 2776 Ų buried · 55 hydrogen bonds · protein-nucleic
  • A–T · 2687 Ų buried · 60 hydrogen bonds · protein-nucleic
  • A–D · 2685 Ų buried · 65 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 6MKN · Structure of the Thermus thermophilus 30S ribosomal subunit complexed with an inosine… · the same entry in another collection · chain A against A, TM-score 1.00

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