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Structure of the thermus thermophilus 30S ribosomal subunit complexed with a human anti-codon stem loop (hasl) of transfer RNA lysine 3 (TRNALYS3) bound to an mRNA with an aaa-codon in the a-site and paromomycin

Analyse Structure of the thermus thermophilus 30S ribosomal subunit complexed with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3T1H
Type
protein + RNA
Length
3,923 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, Q5SHQ2, P62669, Q5SHN7, P80376, Q5SHN3, P80377, Q5SHQ1, Q5SJ76, Q5SJH3, P24321, P80382, Q5SHP2, P62661, Q5SIH3
Ligands
PAR, MG, ZN
Pockets
20 · best druggability 0.88

Structure

x-ray diffraction · 23 distinct chains · 33% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A16S rRNArna1513——
B30S ribosomal protein S2protein23435% helix, 10% strandP80371
C30S ribosomal protein S3protein20630% helix, 19% strandP80372
D30S ribosomal protein S4protein20838% helix, 9% strandP80373
E30S ribosomal protein S5protein15030% helix, 37% strandQ5SHQ5
F30S ribosomal protein S6protein10129% helix, 29% strandQ5SLP8
G30S ribosomal protein S7protein15554% helix, 6% strandP17291
H30S ribosomal protein S8protein13828% helix, 33% strandQ5SHQ2
I30S ribosomal protein S9protein12731% helix, 19% strandP62669
J30S ribosomal protein S10protein9813% helix, 28% strandQ5SHN7
K30S ribosomal protein S11protein11925% helix, 30% strandP80376
L30S ribosomal protein S12protein1246% helix, 23% strandQ5SHN3
M30S ribosomal protein S13protein12547% helix, 2% strandP80377
N30S ribosomal protein S14 type Zprotein6020% helix, 3% strandQ5SHQ1
O30S ribosomal protein S15protein8870% helix, 0% strandQ5SJ76
P30S ribosomal protein S16protein8322% helix, 20% strandQ5SJH3
Q30S ribosomal protein S17protein10413% helix, 41% strandP24321
R30S ribosomal protein S18protein7341% helix, 7% strandP80382
S30S ribosomal protein S19protein8019% helix, 16% strandQ5SHP2
T30S ribosomal protein S20protein9968% helix, 0% strandP62661
V30S ribosomal protein thxprotein2425% helix, 8% strandQ5SIH3
WMRNA a-site fragmentrna3——
XTRNA asl human LYS3rna11——

Ligands and binding sites

  • PAR · Paromomycin · ligand · chains A
  • MG · Magnesium ion · metal · 185 copies · chains A, I, N, E, S, T, C, L, V, B
  • ZN · Zinc ion · metal · 2 copies · chains D, 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
111570.880.9084MG
210550.860.8784MG
310160.840.8581MG
411790.830.8594MG
510630.830.8596MG

Interfaces

46 interfaces between chains.

  • A–L · 3283 Ų buried · 84 hydrogen bonds · protein-nucleic
  • A–I · 3084 Ų buried · 98 hydrogen bonds · protein-nucleic
  • A–D · 3006 Ų buried · 83 hydrogen bonds · protein-nucleic
  • A–Q · 2697 Ų buried · 64 hydrogen bonds · protein-nucleic
  • A–T · 2655 Ų buried · 65 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 3 modified, 1 disulfide (nucleotide modification, disulfide).

Compared structures

  • 3T1H · Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human… · the same entry in another collection · chain K against K, TM-score 1.00

Analyse

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