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Crystal structure of an extended tRNA anticodon stem loop in complex with its cognate mRNA gggu in the context of the thermus thermophilus 30S subunit.

Analyse Crystal structure of an extended tRNA anticodon stem loop in complex with its… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2UXB
Type
protein + RNA
Length
3,920 residues
Chains
23
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
16S ribosomal RNA; Ribosomal protein S2; Ribosomal protein S3; Ribosomal protein S4…
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 0.89

Structure

x-ray diffraction · 23 distinct chains · 32% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A16S ribosomal RNArna1513——
BRibosomal protein S2protein23443% helix, 9% strandP80371
CRibosomal protein S3protein20626% helix, 14% strandP80372
DRibosomal protein S4protein20840% helix, 4% strandP80373
ERibosomal protein S5protein15029% helix, 31% strandQ5SHQ5
FRibosomal protein S6protein10125% helix, 35% strandQ5SLP8
GRibosomal protein S7protein15552% helix, 4% strandP17291
HRibosomal protein S8protein13830% helix, 27% strandQ5SHQ2
IRibosomal protein S9protein12727% helix, 18% strandP80374
JRibosomal protein S10protein989% helix, 22% strandQ5SHN7
KRibosomal protein S11protein11927% helix, 28% strandP80376
LRibosomal protein S12protein1246% helix, 14% strandQ5SHN3
MRibosomal protein S13protein12543% helix, 0% strandP80377
NRibosomal protein S14protein6013% helix, 5% strandQ5SHQ1
ORibosomal protein S15protein8870% helix, 0% strandQ5SJ76
PRibosomal protein S16protein8316% helix, 33% strandQ5SJH3
QRibosomal protein S17protein10414% helix, 38% strandQ5SHP7
RRibosomal protein S18protein7332% helix, 8% strandQ5SLQ0
SRibosomal protein S19protein8018% helix, 10% strandQ5SHP2
TRibosomal protein S20protein9975% helix, 0% strandP80380
URibosomal protein thxprotein2425% helix, 0% strandQ5SIH3
XA-site messenger RNA fragment gggurna4——
YAnticodon stem-loop of transfer RNA with anticodon acccrna7——

Ligands and binding sites

  • PAR · Paromomycin · ligand · chains A
  • MG · Magnesium ion · metal · 131 copies · chains A, E, N, U, L, T, J, M, C, O, Q, H
  • K · Potassium ion · metal · 10 copies · chains A, E
  • 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
110960.890.9192MG
210500.850.8779MG
37530.850.8977MG
44670.840.9265MG
58430.840.8769MG

Interfaces

46 interfaces between chains.

  • A–L · 3368 Ų buried · 84 hydrogen bonds · protein-nucleic
  • A–D · 3109 Ų buried · 94 hydrogen bonds · protein-nucleic
  • A–I · 3044 Ų buried · 97 hydrogen bonds · protein-nucleic
  • A–Q · 2873 Ų buried · 76 hydrogen bonds · protein-nucleic
  • A–T · 2656 Ų buried · 63 hydrogen bonds · protein-nucleic

Compared structures

  • 2UXB · Crystal structure of an extended tRNA anticodon stem loop in complex with its cognate… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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